==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-MAY-11 3S3I . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.SEGARRA,J.AIGUADE,R.ROCA,M.FISHER,M.LAMERS . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 62.8 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 . 43 12.3 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 . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.1 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 2 2 1 1 0 0 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 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 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 0 239 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.5 26.3 41.5 40.4 2 5 A R - 0 0 95 1,-0.1 89,-0.0 89,-0.0 0, 0.0 -0.831 360.0-112.9 -75.4 127.1 24.1 38.5 41.2 3 6 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.036 28.0 -96.5 -57.8 170.3 20.7 40.1 42.1 4 7 A T - 0 0 84 -3,-0.1 15,-2.3 2,-0.0 2,-0.3 -0.855 40.6-157.3 -92.8 126.9 19.2 40.0 45.6 5 8 A F E -A 18 0A 24 -2,-0.5 2,-0.3 13,-0.3 11,-0.1 -0.702 6.6-165.8-100.0 151.5 16.6 37.2 46.1 6 9 A Y E -A 17 0A 65 11,-2.1 11,-1.9 -2,-0.3 2,-0.3 -0.956 16.6-120.2-136.2 161.7 13.8 37.1 48.6 7 10 A R E +A 16 0A 170 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.800 25.5 174.6-112.8 139.5 11.6 34.3 49.8 8 11 A Q E -A 15 0A 52 7,-2.2 7,-2.5 -2,-0.3 2,-0.6 -0.947 30.4-126.5-135.4 148.9 7.9 33.8 49.8 9 12 A E E +A 14 0A 120 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.924 46.5 151.6 -95.2 116.3 5.6 31.0 50.7 10 13 A L E > +A 13 0A 29 3,-3.7 3,-2.1 -2,-0.6 -2,-0.1 -0.991 62.6 12.0-150.2 145.4 3.3 30.2 47.8 11 14 A N T 3 S- 0 0 60 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.554 129.3 -70.2 64.5 16.7 1.6 27.0 46.5 12 15 A K T 3 S+ 0 0 89 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.749 121.1 105.7 54.0 31.6 2.7 25.9 50.0 13 16 A T E < S-A 10 0A 50 -3,-2.1 -3,-3.7 2,-0.0 2,-0.3 -0.972 79.4-102.3-130.3 155.6 6.2 26.0 48.4 14 17 A I E -A 9 0A 53 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.598 28.8-164.7 -71.3 125.1 9.2 28.5 48.8 15 18 A W E -A 8 0A 0 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.5 -0.988 4.6-174.2-103.1 127.0 9.6 30.9 45.9 16 19 A E E +A 7 0A 50 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.945 20.8 159.1-120.9 106.8 13.0 32.6 45.9 17 20 A V E -A 6 0A 2 -11,-1.9 -11,-2.1 -2,-0.5 -2,-0.0 -0.889 46.4 -88.1-133.0 149.8 13.1 35.2 43.2 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.7 0, 0.0 -13,-0.3 -0.226 43.3-113.0 -53.2 150.9 15.1 38.4 42.4 19 22 A E T 3 S+ 0 0 105 -15,-2.3 22,-0.1 1,-0.3 -14,-0.1 0.720 109.4 78.3 -66.9 -22.4 13.6 41.6 44.1 20 23 A R T 3 S+ 0 0 47 -16,-0.2 21,-2.3 20,-0.1 2,-0.6 0.829 82.5 75.2 -49.3 -34.7 12.7 43.0 40.6 21 24 A Y E < +B 40 0B 0 -3,-1.7 2,-0.3 19,-0.2 19,-0.2 -0.750 69.3 174.9 -88.4 122.6 9.7 40.7 40.7 22 25 A Q E +B 39 0B 70 17,-2.6 17,-3.5 -2,-0.6 -2,-0.0 -0.808 47.0 24.3-128.3 155.2 7.0 42.0 43.0 23 26 A N E S- 0 0 107 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.869 70.0-169.7 63.7 49.6 3.5 41.0 43.9 24 27 A L E + 0 0 10 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.518 10.0 172.7 -72.8 134.7 3.6 37.4 43.1 25 28 A S E -B 37 0B 59 12,-2.1 12,-2.8 -2,-0.2 -15,-0.1 -0.979 34.8-102.0-141.4 133.0 0.3 35.7 43.1 26 29 A P E +B 36 0B 61 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.028 31.1 173.3 -41.4 135.9 -0.6 32.0 42.1 27 30 A V E - 0 0 90 8,-2.4 9,-0.2 1,-0.3 2,-0.1 0.069 66.8 -51.9-130.2 22.5 -2.3 31.4 38.7 28 31 A G E -B 35 0B 35 7,-0.5 7,-3.3 2,-0.0 -1,-0.3 -0.109 41.6-123.0 126.1 143.6 -2.1 27.6 38.9 29 32 A S + 0 0 85 5,-0.3 2,-0.3 -3,-0.1 5,-0.2 -0.188 26.8 171.9 -88.9-163.5 0.1 24.5 39.5 30 33 A G - 0 0 46 -2,-0.1 -2,-0.0 4,-0.0 3,-0.0 -0.870 51.0 -94.4 167.8-178.9 0.5 21.6 37.1 31 34 A A S S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 22,-0.0 0.672 125.9 64.5-105.0 -11.7 2.9 18.6 37.2 32 35 A Y S S- 0 0 72 1,-0.2 2,-0.3 20,-0.0 -1,-0.2 0.465 122.6 -71.8 75.4-100.4 4.9 20.6 35.2 33 36 A G - 0 0 6 19,-0.1 2,-0.4 2,-0.0 19,-0.2 -0.839 51.9 -77.3 155.3 170.2 5.5 23.4 37.8 34 37 A S E - C 0 51B 14 17,-1.4 17,-2.0 -2,-0.3 2,-0.4 -0.765 37.1-149.4 -97.4 144.5 3.7 26.2 39.5 35 38 A V E -BC 28 50B 39 -7,-3.3 -8,-2.4 -2,-0.4 -7,-0.5 -0.910 12.8-175.0-112.8 141.1 3.0 29.5 37.8 36 39 A C E -BC 26 49B 0 13,-2.3 13,-3.3 -2,-0.4 2,-0.2 -0.980 21.3-133.6-127.7 143.0 2.7 32.9 39.5 37 40 A A E +BC 25 48B 9 -12,-2.8 -12,-2.1 -2,-0.4 2,-0.3 -0.630 36.5 168.6 -86.1 154.7 1.8 36.2 38.0 38 41 A A E - C 0 47B 0 9,-1.4 9,-2.9 -2,-0.2 2,-0.5 -0.976 37.4-112.4-161.0 158.1 4.1 39.0 39.1 39 42 A F E -BC 22 46B 63 -17,-3.5 -17,-2.6 -2,-0.3 2,-0.9 -0.913 24.4-145.5 -99.3 123.8 5.0 42.6 38.3 40 43 A D E >>> -BC 21 45B 0 5,-3.2 4,-3.0 -2,-0.5 3,-0.7 -0.786 11.7-170.0 -90.1 106.3 8.4 43.1 36.7 41 44 A T T 345S+ 0 0 77 -21,-2.3 -1,-0.2 -2,-0.9 -20,-0.1 0.625 83.3 57.8 -75.9 -9.4 9.6 46.4 38.1 42 45 A K T 345S+ 0 0 153 -22,-0.2 -1,-0.3 3,-0.1 -21,-0.1 0.804 121.7 20.7 -89.7 -32.3 12.5 46.4 35.8 43 46 A T T <45S- 0 0 68 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.603 96.3-124.8-106.5 -17.6 10.5 46.1 32.5 44 47 A G T <5 + 0 0 49 -4,-3.0 2,-0.2 1,-0.3 -3,-0.2 0.571 69.2 129.4 75.3 12.8 7.1 47.4 33.7 45 48 A L E < -C 40 0B 58 -5,-0.6 -5,-3.2 59,-0.0 2,-0.4 -0.659 65.1-123.6 -97.3 151.3 5.5 44.2 32.4 46 49 A R E -C 39 0B 121 -2,-0.2 59,-1.7 -7,-0.2 2,-0.3 -0.803 44.4-168.6 -82.9 136.3 3.2 41.8 34.1 47 50 A V E -CD 38 104B 0 -9,-2.9 -9,-1.4 -2,-0.4 2,-0.5 -0.857 25.5-129.2-129.7 159.6 5.0 38.5 33.8 48 51 A A E -CD 37 103B 15 55,-2.6 55,-1.7 -2,-0.3 2,-0.5 -0.959 22.7-162.0-109.7 128.3 4.4 34.8 34.4 49 52 A V E -CD 36 102B 1 -13,-3.3 -13,-2.3 -2,-0.5 2,-0.6 -0.966 2.9-166.2-113.1 123.2 7.0 33.0 36.5 50 53 A K E -CD 35 101B 45 51,-2.3 51,-2.4 -2,-0.5 2,-0.7 -0.941 4.5-158.5-110.8 115.2 7.2 29.2 36.4 51 54 A K E -CD 34 100B 17 -17,-2.0 -17,-1.4 -2,-0.6 2,-0.7 -0.870 19.6-130.6 -87.9 114.8 9.1 27.4 39.0 52 55 A L E - D 0 99B 8 47,-2.6 47,-1.5 -2,-0.7 2,-0.2 -0.894 15.9-135.3 -81.5 114.7 10.2 24.0 38.0 53 56 A S - 0 0 41 -2,-0.7 45,-0.1 45,-0.2 -1,-0.1 -0.669 66.7 -24.5 85.2 34.6 9.6 21.6 39.9 54 57 A R S > S+ 0 0 102 -2,-0.2 3,-1.9 43,-0.2 4,-0.3 0.883 75.6 179.2 62.6 36.9 12.0 18.8 40.9 55 58 A P T 3 + 0 0 2 0, 0.0 10,-0.4 0, 0.0 9,-0.1 0.608 69.3 31.9 -58.0 -21.7 13.7 19.6 37.6 56 59 A F T 3 S+ 0 0 16 41,-0.2 -2,-0.1 1,-0.1 279,-0.1 -0.117 80.1 112.6-129.7 32.8 16.5 17.0 37.9 57 60 A Q S < S+ 0 0 116 -3,-1.9 2,-0.3 274,-0.0 -1,-0.1 0.768 87.9 12.2 -81.7 -29.3 14.9 14.1 39.8 58 61 A S S > S- 0 0 37 -4,-0.3 4,-2.0 -3,-0.1 5,-0.1 -0.843 81.4-107.4-131.9 172.6 14.9 11.7 36.8 59 62 A I H > S+ 0 0 79 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.858 121.9 54.7 -65.4 -37.4 16.6 11.6 33.4 60 63 A I H > S+ 0 0 106 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.919 110.7 43.5 -62.7 -47.8 13.2 12.3 31.9 61 64 A H H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.871 114.7 50.9 -61.3 -42.2 12.7 15.4 34.1 62 65 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.896 111.2 46.1 -63.9 -43.1 16.3 16.6 33.5 63 66 A K H X S+ 0 0 30 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.842 112.5 53.1 -67.5 -29.8 16.1 16.3 29.7 64 67 A R H X S+ 0 0 97 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.837 107.0 49.2 -76.8 -39.0 12.7 18.1 29.8 65 68 A T H X S+ 0 0 10 -4,-1.9 4,-2.3 -10,-0.4 5,-0.2 0.915 113.4 47.8 -64.4 -47.7 14.0 21.1 31.8 66 69 A Y H X S+ 0 0 13 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.941 112.8 50.0 -56.1 -50.9 16.8 21.4 29.3 67 70 A R H X S+ 0 0 36 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.953 111.4 46.4 -56.2 -51.4 14.3 21.1 26.4 68 71 A E H X S+ 0 0 25 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.908 114.1 47.1 -61.5 -44.0 11.9 23.7 27.7 69 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.940 113.0 50.2 -61.7 -46.4 14.7 26.2 28.4 70 73 A R H X S+ 0 0 35 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.880 111.7 48.1 -57.7 -42.7 16.2 25.6 25.0 71 74 A L H X S+ 0 0 7 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.896 113.1 47.1 -64.1 -44.8 12.9 26.1 23.3 72 75 A L H < S+ 0 0 15 -4,-2.5 11,-1.2 1,-0.2 -2,-0.2 0.841 109.9 52.0 -66.1 -38.5 12.2 29.3 25.2 73 76 A K H < S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 109.9 52.3 -69.8 -28.2 15.6 30.8 24.6 74 77 A H H < S+ 0 0 36 -4,-1.2 2,-0.5 -5,-0.2 244,-0.2 0.880 88.1 90.0 -70.8 -40.3 15.3 30.1 20.8 75 78 A M < + 0 0 4 -4,-1.2 2,-0.3 6,-0.2 8,-0.3 -0.517 39.1 160.7 -80.1 114.5 11.9 31.8 20.2 76 79 A K + 0 0 162 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.671 33.2 110.5-130.7 78.8 11.9 35.5 19.3 77 80 A H B > -F 80 0C 19 3,-0.5 3,-1.6 -2,-0.3 57,-0.0 -0.991 69.3-119.9-151.2 144.8 8.6 36.4 17.6 78 81 A E T 3 S+ 0 0 119 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.717 114.0 43.2 -59.8 -27.7 5.6 38.6 18.6 79 82 A N T 3 S+ 0 0 4 83,-0.1 84,-1.6 2,-0.1 2,-0.4 0.175 105.1 72.3-109.0 15.1 3.2 35.7 18.4 80 83 A V B < S-Fg 77 163C 2 -3,-1.6 -3,-0.5 82,-0.3 2,-0.2 -0.997 85.4-117.6-128.4 129.3 5.4 33.1 20.2 81 84 A I + 0 0 8 82,-2.5 2,-0.2 -2,-0.4 -6,-0.2 -0.476 41.0 177.8 -62.1 133.6 6.1 33.1 23.9 82 85 A G - 0 0 14 -2,-0.2 2,-0.5 -8,-0.1 22,-0.4 -0.669 35.5 -78.0-122.9-174.5 9.9 33.6 24.6 83 86 A L + 0 0 15 -11,-1.2 20,-0.2 -8,-0.3 3,-0.1 -0.788 33.3 175.1 -90.3 124.6 12.1 34.0 27.7 84 87 A L S S- 0 0 15 18,-2.9 2,-0.3 -2,-0.5 19,-0.2 0.766 76.9 -13.4 -85.7 -35.3 12.2 37.4 29.4 85 88 A D E -E 102 0B 22 17,-1.4 17,-3.0 262,-0.1 -1,-0.4 -0.985 52.9-162.4-159.9 150.7 14.4 35.9 32.2 86 89 A V E +E 101 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.987 25.5 163.5-134.6 143.2 15.7 32.7 33.7 87 90 A F E -E 100 0B 13 13,-2.0 13,-2.1 -2,-0.3 256,-0.0 -0.988 25.2-162.0-154.9 160.1 17.2 32.4 37.1 88 91 A T - 0 0 14 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.990 25.5-136.2-138.0 140.4 18.2 30.2 40.0 89 92 A P S S+ 0 0 16 0, 0.0 -84,-0.1 0, 0.0 10,-0.1 0.659 77.2 106.7 -63.7 -14.7 18.9 31.1 43.6 90 93 A A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.278 57.1-159.0 -70.9 153.0 22.0 28.8 43.4 91 94 A R S S+ 0 0 166 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.569 74.3 25.3-108.8 -14.7 25.6 30.1 43.2 92 95 A S S > S- 0 0 32 1,-0.1 4,-1.5 0, 0.0 3,-0.4 -0.946 81.2-107.8-141.1 161.6 27.3 27.1 41.7 93 96 A L T 4 S+ 0 0 51 -2,-0.3 -1,-0.1 2,-0.2 246,-0.1 0.764 120.3 58.8 -50.1 -31.0 26.4 24.1 39.6 94 97 A E T 4 S+ 0 0 164 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.826 112.1 38.0 -75.6 -31.7 26.8 22.0 42.8 95 98 A E T 4 S+ 0 0 106 -3,-0.4 -2,-0.2 -6,-0.0 -1,-0.2 0.650 90.8 118.8 -90.9 -20.9 24.1 24.0 44.5 96 99 A F < + 0 0 1 -4,-1.5 3,-0.1 1,-0.2 243,-0.1 -0.272 20.8 128.4 -54.1 118.0 21.9 24.3 41.3 97 100 A N + 0 0 58 1,-0.3 2,-0.4 -2,-0.1 -41,-0.2 0.374 53.4 57.8-152.6 1.8 18.6 22.7 41.8 98 101 A D - 0 0 40 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.999 51.7-165.8-142.2 142.4 15.8 25.0 40.9 99 102 A V E -D 52 0B 0 -47,-1.5 -47,-2.6 -2,-0.4 2,-0.4 -0.997 0.9-169.6-130.7 133.2 14.9 26.9 37.7 100 103 A Y E -DE 51 87B 2 -13,-2.1 -13,-2.0 -2,-0.4 2,-0.4 -0.990 8.9-157.9-120.6 132.6 12.4 29.7 37.3 101 104 A L E -DE 50 86B 5 -51,-2.4 -51,-2.3 -2,-0.4 2,-0.4 -0.905 3.6-155.3-113.0 136.1 11.4 30.8 33.8 102 105 A V E +DE 49 85B 0 -17,-3.0 -18,-2.9 -2,-0.4 -17,-1.4 -0.936 18.9 166.5-118.8 141.6 9.9 34.3 33.2 103 106 A T E -D 48 0B 23 -55,-1.7 -55,-2.6 -2,-0.4 -20,-0.1 -0.899 43.7 -86.4-148.4 150.7 7.7 35.1 30.3 104 107 A H E -D 47 0B 64 -22,-0.4 2,-0.6 -2,-0.3 -57,-0.2 -0.347 38.4-140.7 -51.6 148.4 5.4 37.9 29.2 105 108 A L - 0 0 60 -59,-1.7 -59,-0.2 1,-0.2 -1,-0.1 -0.914 15.8-171.8-117.1 108.4 1.9 37.5 30.6 106 109 A M - 0 0 36 -2,-0.6 51,-0.4 2,-0.1 -1,-0.2 0.892 44.9-108.0 -68.6 -40.3 -0.6 38.5 28.0 107 110 A G S S+ 0 0 55 1,-0.2 2,-0.2 49,-0.2 49,-0.2 -0.349 76.7 6.6 148.7 -63.2 -3.6 38.2 30.3 108 111 A A E -H 155 0C 38 47,-3.0 47,-3.3 3,-0.0 2,-0.3 -0.788 69.9-104.6-135.0-178.0 -5.8 35.3 29.6 109 112 A D E > -H 154 0C 42 45,-0.3 4,-1.0 -2,-0.2 45,-0.2 -0.710 33.7-115.0-102.5 164.1 -5.9 32.2 27.5 110 113 A L H > S+ 0 0 1 43,-2.1 4,-2.6 40,-1.2 3,-0.4 0.879 111.9 61.9 -65.7 -35.9 -8.2 32.0 24.4 111 114 A N H > S+ 0 0 30 39,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.885 103.7 47.4 -57.5 -43.4 -10.3 29.3 26.0 112 115 A N H 4 S+ 0 0 109 -3,-0.2 -1,-0.2 38,-0.2 -2,-0.2 0.767 116.9 44.0 -75.3 -23.3 -11.4 31.5 28.9 113 116 A I H < S+ 0 0 84 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.1 0.960 123.5 26.8 -81.6 -54.9 -12.3 34.4 26.6 114 117 A V H >< S+ 0 0 12 -4,-2.6 3,-2.0 2,-0.1 -2,-0.2 0.534 78.6 128.4 -91.1 -13.5 -14.1 32.8 23.7 115 118 A K T 3< S+ 0 0 87 -4,-1.5 3,-0.1 -5,-0.3 102,-0.1 -0.241 85.9 2.7 -73.9 142.7 -15.8 29.5 24.9 116 119 A C T 3 S+ 0 0 90 100,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.219 114.4 109.2 72.1 -5.6 -19.5 29.0 24.1 117 120 A Q < - 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0 0 34 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.406 29.4-142.0 -53.3 135.7 -16.1 22.5 19.3 219 222 A L S S+ 0 0 33 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.932 90.4 16.6 -71.7 -44.1 -15.8 21.1 15.8 220 223 A F + 0 0 3 -36,-0.3 2,-2.5 2,-0.1 -1,-0.2 -0.459 67.1 170.0-128.2 69.0 -15.0 17.5 16.9 221 224 A P - 0 0 37 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.282 21.1-177.9 -81.1 72.4 -16.0 17.0 20.5 222 225 A G - 0 0 0 -2,-2.5 -42,-0.4 1,-0.1 -39,-0.1 -0.258 32.7-139.8 -70.1 144.3 -15.6 13.2 20.5 223 226 A T S S- 0 0 69 -44,-0.2 2,-0.3 1,-0.1 -44,-0.2 0.534 86.3 -7.6 -79.5 -3.1 -16.4 11.2 23.6 224 227 A D S > S- 0 0 64 -46,-0.1 4,-2.1 -47,-0.1 5,-0.2 -0.923 90.1 -79.6-173.2 176.1 -13.3 9.0 22.9 225 228 A H H > S+ 0 0 57 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.876 127.6 43.7 -60.2 -39.9 -10.6 8.5 20.2 226 229 A I H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 112.9 49.5 -74.3 -41.6 -12.9 6.4 18.0 227 230 A D H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.914 112.7 49.8 -59.5 -40.9 -16.0 8.6 18.4 228 231 A Q H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.856 107.1 53.7 -68.1 -36.9 -13.9 11.6 17.5 229 232 A L H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 5,-0.2 0.892 108.1 51.1 -62.4 -41.1 -12.4 9.8 14.4 230 233 A K H X S+ 0 0 107 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.848 108.4 50.6 -64.4 -39.9 -16.0 9.2 13.3 231 234 A L H X S+ 0 0 62 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.863 113.7 47.6 -59.4 -40.6 -16.9 12.8 13.7 232 235 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 3,-0.5 0.941 112.6 45.7 -62.2 -52.1 -13.8 13.7 11.7 233 236 A L H X S+ 0 0 1 -4,-3.2 4,-1.7 1,-0.3 -1,-0.2 0.735 105.6 61.5 -74.6 -21.2 -14.4 11.2 8.9 234 237 A R H < S+ 0 0 134 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.906 113.3 35.8 -72.6 -37.4 -18.0 12.2 8.6 235 238 A L H < S+ 0 0 9 -4,-1.1 30,-2.2 -3,-0.5 -2,-0.2 0.890 131.7 26.5 -78.3 -45.6 -16.9 15.8 7.7 236 239 A V H < S- 0 0 18 -4,-2.6 28,-0.4 28,-0.2 52,-0.2 0.586 109.9-113.5-100.1 -5.9 -13.9 15.2 5.7 237 240 A G < - 0 0 3 -4,-1.7 -1,-0.1 26,-0.4 -3,-0.1 0.144 36.7 -66.8 88.9 156.3 -14.6 11.7 4.3 238 241 A T - 0 0 25 24,-1.6 26,-0.1 1,-0.1 50,-0.1 -0.356 68.2 -86.0 -70.6 157.3 -13.0 8.3 4.8 239 242 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.148 40.6-132.0 -62.4 156.6 -9.4 7.9 3.5 240 243 A G > - 0 0 42 -3,-0.1 4,-3.1 1,-0.0 3,-0.4 -0.521 34.3 -90.8 -96.6 179.7 -8.7 7.0 -0.2 241 244 A A H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.866 125.8 57.3 -49.4 -39.8 -6.3 4.3 -1.5 242 245 A E H > S+ 0 0 115 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.857 112.3 36.5 -70.8 -41.0 -3.6 6.9 -1.6 243 246 A L H >> S+ 0 0 9 -3,-0.4 3,-1.0 2,-0.2 4,-0.7 0.908 110.2 62.1 -78.3 -40.6 -3.8 7.9 2.0 244 247 A L H >< S+ 0 0 24 -4,-3.1 3,-1.2 1,-0.3 -2,-0.2 0.885 101.7 55.2 -48.8 -44.4 -4.4 4.4 3.2 245 248 A K H 3< S+ 0 0 168 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.825 104.5 51.9 -53.0 -41.1 -0.9 3.5 1.7 246 249 A K H << S+ 0 0 64 -3,-1.0 2,-1.7 -4,-0.7 -1,-0.2 0.497 80.4 100.3 -81.4 -4.2 0.9 6.1 3.7 247 250 A I << - 0 0 0 -3,-1.2 6,-0.2 -4,-0.7 -52,-0.2 -0.657 55.4-174.4 -83.4 87.0 -0.6 4.9 7.0 248 251 A S + 0 0 77 -2,-1.7 2,-0.8 -54,-0.1 -53,-0.2 0.810 58.5 91.3 -58.4 -29.7 2.5 3.0 8.0 249 252 A S > - 0 0 39 -55,-2.3 4,-1.5 1,-0.2 3,-0.2 -0.583 64.0-161.8 -70.5 110.4 0.8 1.5 11.1 250 253 A E H > S+ 0 0 124 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.806 87.1 56.2 -60.7 -33.9 -0.6 -1.8 9.7 251 254 A S H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.884 108.9 44.0 -66.7 -42.6 -3.0 -2.0 12.6 252 255 A A H > S+ 0 0 14 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.723 111.2 54.6 -76.5 -29.3 -4.6 1.3 12.1 253 256 A R H X S+ 0 0 51 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.892 107.7 50.4 -73.1 -40.7 -4.9 0.8 8.3 254 257 A N H < S+ 0 0 108 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.900 112.2 47.4 -59.9 -43.6 -6.7 -2.4 8.8 255 258 A Y H >< S+ 0 0 74 -4,-1.5 3,-1.4 2,-0.2 4,-0.3 0.940 112.8 46.7 -63.2 -49.2 -9.2 -0.7 11.3 256 259 A I H >< S+ 0 0 6 -4,-1.9 3,-1.5 1,-0.3 -2,-0.2 0.850 105.5 60.1 -66.4 -34.1 -9.9 2.3 9.1 257 260 A Q T 3< S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.599 94.8 66.2 -68.0 -12.0 -10.4 0.0 6.0 258 261 A S T < S+ 0 0 83 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.663 84.8 100.6 -77.7 -14.6 -13.2 -1.6 8.1 259 262 A L S < S- 0 0 37 -3,-1.5 2,-0.3 -4,-0.3 3,-0.1 -0.399 83.3-107.4 -81.2 144.3 -15.2 1.6 7.9 260 263 A T - 0 0 124 -2,-0.1 -1,-0.1 1,-0.1 -22,-0.1 -0.539 46.0-109.9 -65.4 129.0 -18.1 2.4 5.5 261 264 A Q - 0 0 165 -2,-0.3 -1,-0.1 -4,-0.1 -21,-0.0 -0.275 40.9-176.9 -65.5 141.6 -16.8 4.8 3.0 262 265 A M - 0 0 40 -23,-0.1 -24,-1.6 -29,-0.1 2,-0.2 -0.985 20.2-124.6-138.4 144.8 -18.3 8.3 3.3 263 266 A P - 0 0 100 0, 0.0 -26,-0.4 0, 0.0 2,-0.0 -0.595 37.0 -87.9 -89.2 156.3 -17.7 11.3 1.1 264 267 A K - 0 0 100 -28,-0.4 -28,-0.2 -2,-0.2 -29,-0.1 -0.301 48.0-126.0 -51.7 134.5 -16.4 14.7 2.2 265 268 A M - 0 0 76 -30,-2.2 2,-0.7 -31,-0.2 -1,-0.1 -0.364 27.8 -94.1 -81.8 168.7 -19.3 16.9 3.3 266 269 A N >> - 0 0 89 1,-0.2 3,-1.5 -2,-0.1 4,-0.5 -0.739 30.0-155.5 -86.9 113.6 -20.0 20.3 1.9 267 270 A F H >> S+ 0 0 1 -2,-0.7 4,-3.5 1,-0.3 3,-0.8 0.821 91.7 61.9 -66.5 -27.9 -18.3 22.8 4.3 268 271 A A H 34 S+ 0 0 54 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.707 104.3 49.8 -69.8 -19.6 -20.6 25.7 3.2 269 272 A N H <4 S+ 0 0 113 -3,-1.5 -1,-0.2 3,-0.1 3,-0.2 0.490 115.9 41.2 -90.6 -6.9 -23.5 23.6 4.6 270 273 A V H << S+ 0 0 53 -3,-0.8 2,-1.3 -4,-0.5 -2,-0.2 0.801 118.5 44.4 -98.4 -50.7 -21.7 23.0 7.9 271 274 A F S >< S- 0 0 8 -4,-3.5 3,-2.0 -5,-0.1 -1,-0.1 -0.414 89.7-170.9 -90.0 61.6 -20.4 26.5 8.3 272 275 A I T 3 + 0 0 140 -2,-1.3 -3,-0.1 1,-0.3 -4,-0.1 -0.273 65.2 7.3 -63.9 124.3 -23.7 28.1 7.3 273 276 A G T 3 S+ 0 0 82 -5,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.390 94.8 135.5 93.5 -4.4 -23.5 31.8 6.8 274 277 A A S < S- 0 0 29 -3,-2.0 -1,-0.3 -6,-0.1 5,-0.1 -0.412 70.0 -80.7 -81.3 155.0 -19.7 32.1 7.2 275 278 A N >> - 0 0 49 1,-0.2 4,-2.2 -2,-0.1 3,-0.5 -0.320 39.3-133.8 -48.0 121.9 -17.4 34.2 4.9 276 279 A P H 3> S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.736 108.3 56.7 -53.4 -29.4 -16.8 32.0 1.8 277 280 A L H 3> S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.875 105.8 49.0 -71.6 -40.4 -13.1 32.8 2.2 278 281 A A H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.911 112.6 48.6 -55.9 -51.2 -13.1 31.4 5.8 279 282 A V H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 110.6 50.9 -59.0 -45.3 -14.9 28.3 4.5 280 283 A D H X S+ 0 0 52 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.950 111.5 47.0 -59.3 -50.8 -12.4 27.9 1.6 281 284 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.852 108.6 55.3 -61.9 -37.9 -9.4 28.1 4.0 282 285 A L H >X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.6 0.928 104.6 54.3 -57.8 -42.4 -11.1 25.6 6.4 283 286 A E H 3< S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 109.5 48.5 -65.7 -24.1 -11.3 23.1 3.5 284 287 A K H 3< S+ 0 0 87 -4,-1.2 10,-2.0 -3,-0.2 3,-0.3 0.738 115.4 42.4 -82.7 -24.0 -7.6 23.5 3.0 285 288 A M H << S+ 0 0 0 -4,-1.3 2,-0.6 -3,-0.6 -2,-0.2 0.799 109.4 58.3 -88.9 -34.2 -6.6 23.1 6.7 286 289 A L S < S+ 0 0 4 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.331 70.4 133.7 -99.1 53.9 -9.0 20.2 7.4 287 290 A V - 0 0 39 -2,-0.6 6,-0.1 -3,-0.3 -3,-0.0 -0.846 53.0-141.6-102.0 136.3 -7.7 17.8 4.8 288 291 A L S S+ 0 0 14 -2,-0.4 2,-0.7 -52,-0.2 -99,-0.2 0.879 86.0 75.2 -69.7 -42.9 -7.2 14.3 6.1 289 292 A D S > S- 0 0 11 1,-0.2 3,-1.3 3,-0.1 4,-0.3 -0.624 72.3-155.1 -70.1 110.2 -4.0 13.6 4.2 290 293 A S G > S+ 0 0 7 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.814 90.2 64.7 -64.0 -31.7 -1.3 15.6 6.0 291 294 A D G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.729 107.1 44.3 -58.2 -24.2 0.8 15.8 2.8 292 295 A K G < S+ 0 0 117 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.327 85.2 111.2-104.1 2.9 -2.0 17.9 1.2 293 296 A R S < S- 0 0 8 -3,-1.0 -8,-0.2 -4,-0.3 -9,-0.1 -0.560 76.6-102.3 -77.9 147.7 -2.9 20.3 4.0 294 297 A I - 0 0 18 -10,-2.0 2,-0.2 -2,-0.2 -91,-0.1 -0.305 36.7-129.6 -58.9 145.9 -2.0 24.0 3.6 295 298 A T > - 0 0 46 1,-0.1 4,-2.4 -92,-0.0 5,-0.2 -0.570 23.9-105.2 -96.5 164.9 1.1 25.2 5.5 296 299 A A H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.958 122.1 51.1 -53.4 -50.4 1.2 28.3 7.8 297 300 A A H > S+ 0 0 46 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.895 113.3 43.5 -57.6 -46.3 3.2 30.2 5.1 298 301 A Q H 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.836 111.9 54.3 -63.8 -35.6 0.7 29.3 2.3 299 302 A A H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 6,-0.3 0.870 101.2 57.5 -70.5 -32.0 -2.2 30.1 4.6 300 303 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 103.7 55.3 -65.9 -30.4 -1.0 33.6 5.4 301 304 A A T 3< S+ 0 0 65 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.363 85.5 115.9 -76.1 -1.0 -1.0 34.3 1.7 302 305 A H S X S- 0 0 17 -3,-1.8 3,-2.0 1,-0.1 7,-0.2 -0.512 77.7-119.0 -76.2 145.2 -4.7 33.3 1.5 303 306 A A G > S+ 0 0 57 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.688 107.5 74.7 -54.1 -30.0 -7.3 36.0 0.6 304 307 A Y G 3 S+ 0 0 4 -27,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.858 98.8 46.8 -50.2 -38.3 -9.1 35.5 3.9 305 308 A F G X> S+ 0 0 0 -3,-2.0 4,-3.5 -6,-0.3 3,-0.6 -0.028 71.8 126.1 -99.4 29.0 -6.1 37.5 5.5 306 309 A A T <4 S+ 0 0 69 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.885 73.3 51.4 -48.2 -45.9 -6.0 40.3 3.0 307 310 A Q T 34 S+ 0 0 151 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.789 122.9 28.9 -63.9 -30.9 -6.3 43.0 5.7 308 311 A Y T <4 S+ 0 0 59 -3,-0.6 -2,-0.2 -8,-0.1 -1,-0.2 0.734 88.2 108.8-107.0 -30.6 -3.5 41.6 7.8 309 312 A H < + 0 0 62 -4,-3.5 -8,-0.1 -7,-0.2 3,-0.1 -0.256 30.2 164.0 -55.6 129.8 -1.1 39.9 5.4 310 313 A D > - 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