==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JUN-13 4L7F . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.WALTER,G.M.RANIERI,A.M.RIGGS,H.WEISSIG,B.LI,K.R.SHREDER . 354 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 61.6 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 11.9 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 4 1 1 0 0 1 0 1 1 0 0 1 1 1 0 1 0 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 1 1 2 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 5 A S >> 0 0 83 0, 0.0 4,-1.8 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 170.6 -28.9 63.7 -1.3 2 6 A L T 34 + 0 0 74 1,-0.2 19,-1.8 2,-0.2 20,-0.2 0.751 360.0 57.0 -62.0 -23.9 -25.9 62.7 0.8 3 7 A D T 34 S+ 0 0 52 17,-0.2 -1,-0.2 1,-0.1 16,-0.1 0.546 116.0 29.3 -87.6 -9.0 -25.1 60.3 -2.1 4 8 A N T <4 S+ 0 0 105 -3,-1.1 2,-0.4 2,-0.0 -2,-0.2 0.547 98.4 85.9-129.0 -9.8 -25.0 62.9 -4.9 5 9 A N < - 0 0 82 -4,-1.8 15,-2.7 0, 0.0 16,-0.3 -0.794 60.2-153.9 -93.0 140.4 -23.8 66.2 -3.4 6 10 A F E -A 19 0A 77 -2,-0.4 2,-0.3 13,-0.3 13,-0.2 -0.706 11.9-177.5-105.7 156.7 -20.1 67.0 -3.1 7 11 A Y E -A 18 0A 62 11,-2.1 11,-1.9 -2,-0.3 2,-0.4 -0.943 20.0-127.1-144.4 166.0 -18.2 69.3 -0.7 8 12 A S E -A 17 0A 70 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.918 20.2-178.5-120.7 139.9 -14.6 70.3 -0.4 9 13 A V E -A 16 0A 42 7,-2.3 7,-3.2 -2,-0.4 2,-0.5 -0.993 27.6-123.8-133.2 142.8 -12.2 70.1 2.6 10 14 A E E -A 15 0A 173 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.755 24.1-176.1 -83.1 127.4 -8.5 71.1 2.9 11 15 A I E > -A 14 0A 19 3,-3.5 3,-1.9 -2,-0.5 2,-0.2 -0.934 65.8 -56.5-126.5 100.2 -6.3 68.3 4.1 12 16 A G T 3 S- 0 0 73 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.461 120.6 -18.0 60.6-124.5 -2.9 69.8 4.4 13 17 A D T 3 S+ 0 0 184 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.290 126.0 80.0 -92.7 6.6 -1.9 71.2 1.0 14 18 A S E < S-A 11 0A 22 -3,-1.9 -3,-3.5 2,-0.0 2,-0.5 -0.849 71.6-130.4-119.3 154.6 -4.6 69.2 -0.9 15 19 A T E -A 10 0A 68 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.883 14.9-157.5-102.4 127.4 -8.3 69.6 -1.5 16 20 A F E -A 9 0A 0 -7,-3.2 -7,-2.3 -2,-0.5 2,-0.6 -0.942 7.7-171.3-102.3 121.9 -10.5 66.6 -0.9 17 21 A T E +A 8 0A 31 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.935 24.2 151.0-118.6 107.6 -13.8 66.8 -2.8 18 22 A V E -A 7 0A 0 -11,-1.9 -11,-2.1 -2,-0.6 -2,-0.0 -0.845 49.4 -75.3-136.0 164.9 -16.1 64.0 -1.7 19 23 A L E > -A 6 0A 9 -2,-0.3 3,-2.2 -13,-0.2 -13,-0.3 -0.284 43.2-119.1 -60.1 143.6 -19.8 63.1 -1.3 20 24 A K T 3 S+ 0 0 96 -15,-2.7 -17,-0.2 -19,-0.3 -18,-0.1 0.646 108.5 76.8 -64.4 -15.8 -21.5 64.7 1.7 21 25 A R T 3 S+ 0 0 28 -19,-1.8 21,-2.8 -16,-0.3 2,-0.7 0.742 83.0 77.7 -60.3 -23.1 -22.2 61.2 3.0 22 26 A Y E < S-B 41 0B 1 -3,-2.2 2,-0.3 -20,-0.2 19,-0.2 -0.824 72.0-179.8 -98.1 112.3 -18.5 61.2 4.1 23 27 A Q E +B 40 0B 66 17,-3.1 17,-2.9 -2,-0.7 -2,-0.0 -0.751 45.0 15.7-119.6 155.4 -18.1 63.3 7.2 24 28 A N E S- 0 0 110 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.929 73.9-156.2 53.5 59.4 -15.4 64.5 9.6 25 29 A L E - 0 0 23 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.486 15.5-179.0 -72.1 133.7 -12.4 63.7 7.4 26 30 A K E -B 38 0B 133 12,-2.3 12,-3.0 -2,-0.2 -15,-0.1 -0.998 30.8-111.9-136.7 125.1 -9.1 63.2 9.2 27 31 A P E +B 37 0B 87 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.301 35.6 168.1 -58.9 137.0 -5.8 62.4 7.5 28 32 A I E - 0 0 94 8,-3.2 2,-0.3 1,-0.6 9,-0.2 0.174 52.4 -81.2-133.0 7.1 -4.4 58.8 8.1 29 33 A G E +B 36 0B 30 7,-0.9 7,-2.5 1,-0.2 -1,-0.6 -0.874 47.5 148.4 158.0-171.3 -1.7 58.8 5.4 30 34 A S - 0 0 84 5,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.673 7.5-168.4-137.6-152.2 0.0 58.8 3.1 31 35 A G S S+ 0 0 60 4,-0.1 2,-1.5 139,-0.0 -1,-0.1 -0.933 70.5 18.5-133.8 163.3 3.0 59.7 0.8 32 36 A A S S+ 0 0 82 -2,-0.3 3,-0.1 1,-0.2 139,-0.0 -0.327 126.8 32.0 84.2 -53.4 4.1 59.1 -2.8 33 37 A Q S S- 0 0 95 -2,-1.5 21,-0.5 1,-0.4 2,-0.3 0.558 120.9 -64.1-116.2 -12.0 0.8 58.0 -4.5 34 38 A G - 0 0 25 19,-0.1 -1,-0.4 2,-0.0 2,-0.3 -0.940 52.4 -63.0 156.3-170.4 -1.7 60.1 -2.5 35 39 A I E - C 0 52B 46 17,-0.9 17,-2.4 -2,-0.3 -5,-0.4 -0.827 31.8-159.5-112.3 142.4 -3.6 61.0 0.7 36 40 A V E -BC 29 51B 26 -7,-2.5 -8,-3.2 -2,-0.3 -7,-0.9 -0.993 9.9-171.1-125.5 128.8 -5.9 58.7 2.8 37 41 A C E -BC 27 50B 0 13,-2.8 13,-3.4 -2,-0.4 2,-0.3 -0.910 20.4-132.8-118.0 147.1 -8.5 60.0 5.2 38 42 A A E +BC 26 49B 17 -12,-3.0 -12,-2.3 -2,-0.3 2,-0.3 -0.720 36.9 169.8 -84.0 148.5 -10.7 58.4 7.8 39 43 A A E - C 0 48B 4 9,-2.3 9,-2.8 -2,-0.3 2,-0.5 -0.978 37.5-111.5-152.5 159.1 -14.3 59.5 7.6 40 44 A Y E -BC 23 47B 80 -17,-2.9 -17,-3.1 -2,-0.3 2,-0.9 -0.868 25.5-144.8 -91.7 128.2 -17.7 58.7 9.0 41 45 A D E >> -BC 22 46B 0 5,-3.2 4,-2.1 -2,-0.5 5,-1.4 -0.827 11.0-167.4 -95.5 103.6 -20.1 57.3 6.3 42 46 A A T 45S+ 0 0 26 -21,-2.8 -1,-0.1 -2,-0.9 -20,-0.1 0.652 85.2 49.3 -70.6 -17.3 -23.5 58.7 7.4 43 47 A I T 45S+ 0 0 77 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.903 119.8 34.0 -85.0 -48.7 -25.4 56.4 5.0 44 48 A L T 45S- 0 0 56 2,-0.2 -2,-0.2 -23,-0.1 -1,-0.1 0.668 103.2-133.9 -77.6 -15.4 -23.6 53.2 6.0 45 49 A E T <5S+ 0 0 146 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.941 70.1 89.2 56.0 50.1 -23.4 54.5 9.6 46 50 A R E S- 0 0 109 43,-1.8 3,-2.4 -2,-0.6 -1,-0.2 0.918 70.4-176.5 44.2 60.4 -4.1 62.4 -11.8 56 60 A P T 3 S+ 0 0 4 0, 0.0 3,-0.4 0, 0.0 10,-0.3 0.669 78.6 60.7 -62.6 -13.1 -3.4 58.7 -11.8 57 61 A F T 3 + 0 0 7 41,-0.2 280,-0.2 1,-0.2 279,-0.1 0.386 69.3 110.3 -91.2 1.6 -2.9 58.9 -15.6 58 62 A Q S < S- 0 0 85 -3,-2.4 2,-0.3 -4,-0.2 -1,-0.2 0.761 91.5 -2.9 -52.1 -33.0 0.1 61.4 -15.2 59 63 A N S > S- 0 0 58 -3,-0.4 4,-2.6 -4,-0.2 5,-0.2 -0.975 80.3 -96.0-153.5 167.2 2.4 58.6 -16.4 60 64 A Q H > S+ 0 0 79 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.781 119.4 50.0 -49.1 -38.5 2.5 55.0 -17.5 61 65 A T H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.941 113.5 41.1 -76.2 -50.2 3.5 53.8 -14.0 62 66 A H H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.896 118.4 51.6 -56.9 -41.7 0.9 55.6 -11.9 63 67 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.957 108.8 45.4 -65.3 -55.3 -1.7 54.8 -14.6 64 68 A K H X S+ 0 0 99 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.804 116.1 50.5 -59.2 -31.6 -1.1 51.0 -14.9 65 69 A R H X S+ 0 0 25 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.922 110.9 45.5 -70.9 -49.3 -1.1 51.0 -11.1 66 70 A A H X S+ 0 0 5 -4,-2.8 4,-2.7 -10,-0.3 -2,-0.2 0.921 114.6 50.1 -60.8 -42.9 -4.4 52.9 -10.6 67 71 A Y H X S+ 0 0 15 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.935 111.1 46.7 -64.2 -46.9 -6.0 50.8 -13.3 68 72 A R H X S+ 0 0 60 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.898 112.2 52.3 -61.3 -41.4 -4.9 47.5 -11.8 69 73 A E H X S+ 0 0 15 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.951 111.2 45.6 -60.1 -50.8 -6.0 48.6 -8.3 70 74 A L H X S+ 0 0 3 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.925 116.5 44.6 -58.2 -47.9 -9.5 49.6 -9.5 71 75 A V H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.942 118.7 41.7 -65.8 -47.0 -10.1 46.4 -11.5 72 76 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.921 111.0 53.5 -72.2 -41.2 -8.8 44.1 -8.8 73 77 A M H < S+ 0 0 2 -4,-2.9 11,-0.6 -5,-0.3 -1,-0.2 0.923 113.0 47.8 -58.0 -40.1 -10.4 45.7 -5.9 74 78 A K H < S+ 0 0 81 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.932 116.4 38.2 -64.2 -50.4 -13.7 45.4 -7.7 75 79 A C H < S+ 0 0 34 -4,-2.2 245,-0.4 -5,-0.1 2,-0.3 0.816 101.7 82.9 -80.3 -26.0 -13.5 41.7 -8.8 76 80 A V < + 0 0 9 -4,-2.5 8,-0.3 -5,-0.2 2,-0.3 -0.573 46.3 172.4 -75.4 134.8 -11.9 40.4 -5.6 77 81 A N + 0 0 157 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.761 27.6 135.1-137.8 93.1 -14.1 39.6 -2.7 78 82 A H > - 0 0 14 3,-0.4 3,-2.0 -2,-0.3 235,-0.1 -0.999 62.0-119.5-145.9 141.6 -12.0 37.9 0.0 79 83 A K T 3 S+ 0 0 53 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.785 113.4 44.3 -40.3 -41.2 -11.5 38.0 3.8 80 84 A N T 3 S+ 0 0 0 233,-0.1 83,-2.3 82,-0.1 2,-0.4 0.241 100.7 73.3-106.3 15.7 -7.8 38.9 3.4 81 85 A I B < S-f 163 0C 3 -3,-2.0 -3,-0.4 81,-0.3 83,-0.2 -0.996 90.4-106.4-127.4 131.7 -7.9 41.5 0.6 82 86 A I - 0 0 5 81,-2.4 2,-0.1 -2,-0.4 -6,-0.1 -0.332 40.6-133.6 -59.3 133.8 -9.3 45.1 1.2 83 87 A G - 0 0 31 -4,-0.1 2,-0.7 22,-0.1 22,-0.3 -0.438 8.9-118.0 -88.7 162.7 -12.7 45.4 -0.3 84 88 A L + 0 0 27 -11,-0.6 20,-0.2 -8,-0.3 3,-0.1 -0.884 30.4 172.3-104.6 113.7 -14.0 48.3 -2.5 85 89 A L - 0 0 49 18,-2.9 2,-0.3 -2,-0.7 19,-0.2 0.822 67.1 -15.4 -84.9 -35.0 -17.0 50.2 -1.0 86 90 A N E -E 103 0B 9 17,-1.2 17,-2.8 2,-0.0 -1,-0.3 -0.971 51.0-163.1-165.4 149.9 -17.3 53.0 -3.5 87 91 A V E +E 102 0B 4 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.986 24.3 152.1-140.9 140.7 -15.3 54.8 -6.3 88 92 A F E -E 101 0B 13 13,-1.8 13,-3.0 -2,-0.3 257,-0.1 -0.990 31.7-144.9-157.9 161.6 -16.1 58.2 -7.7 89 93 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 -71,-0.0 -0.986 11.0-150.4-126.6 141.2 -14.7 61.3 -9.4 90 94 A P S S+ 0 0 34 0, 0.0 2,-0.2 0, 0.0 10,-0.1 0.629 72.9 95.6 -77.5 -15.4 -16.0 64.8 -8.7 91 95 A Q - 0 0 42 8,-0.4 -2,-0.1 1,-0.1 6,-0.1 -0.516 68.5-144.7 -83.8 150.8 -15.1 66.0 -12.3 92 96 A K + 0 0 163 -2,-0.2 2,-0.3 4,-0.0 -1,-0.1 0.236 68.6 28.5-106.8 11.4 -17.8 65.8 -14.9 93 97 A S S > S- 0 0 29 1,-0.1 4,-1.5 0, 0.0 -2,-0.0 -0.984 75.3-110.1-161.5 158.4 -16.0 64.9 -18.1 94 98 A L T 4 S+ 0 0 54 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.911 120.4 54.4 -53.1 -45.4 -13.1 63.0 -19.6 95 99 A E T 4 S+ 0 0 169 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.875 117.1 35.5 -55.1 -44.2 -11.6 66.5 -20.5 96 100 A E T 4 S+ 0 0 77 2,-0.0 -1,-0.2 -3,-0.0 -2,-0.2 0.577 87.1 129.1 -87.5 -12.3 -11.9 67.7 -16.9 97 101 A F < + 0 0 0 -4,-1.5 3,-0.1 -3,-0.4 244,-0.1 -0.214 15.0 140.6 -54.9 124.9 -11.1 64.4 -15.2 98 102 A Q + 0 0 67 1,-0.3 -43,-1.8 -43,-0.0 2,-0.3 0.618 53.1 39.3-125.0 -52.0 -8.3 64.7 -12.5 99 103 A D E -D 54 0B 19 -45,-0.2 2,-0.4 -44,-0.2 -8,-0.4 -0.848 49.1-159.9-124.3 146.3 -9.0 62.6 -9.4 100 104 A V E -D 53 0B 0 -47,-2.1 -47,-3.1 -2,-0.3 2,-0.5 -0.982 12.5-157.4-120.5 131.3 -10.3 59.2 -8.4 101 105 A Y E -DE 52 88B 0 -13,-3.0 -13,-1.8 -2,-0.4 2,-0.4 -0.927 4.6-165.2-111.1 131.6 -11.5 58.5 -4.9 102 106 A I E -DE 51 87B 0 -51,-2.5 -51,-2.9 -2,-0.5 2,-0.4 -0.967 5.1-156.3-119.1 132.6 -11.6 55.0 -3.5 103 107 A V E +DE 50 86B 0 -17,-2.8 -18,-2.9 -2,-0.4 -17,-1.2 -0.915 16.3 171.0-112.5 129.4 -13.6 54.1 -0.4 104 108 A M E -D 49 0B 9 -55,-2.8 -55,-2.7 -2,-0.4 -20,-0.1 -0.886 43.8 -87.8-130.7 160.1 -12.8 51.1 1.8 105 109 A E E -D 48 0B 71 -2,-0.3 2,-0.3 -22,-0.3 -57,-0.3 -0.464 54.9-107.6 -64.4 140.5 -14.0 49.9 5.2 106 110 A L - 0 0 55 -59,-1.8 2,-0.4 -67,-0.1 -59,-0.1 -0.576 31.6-155.4 -78.8 129.9 -11.8 51.5 8.0 107 111 A M - 0 0 22 -2,-0.3 49,-0.2 1,-0.1 -59,-0.0 -0.837 15.6-131.8-105.1 147.6 -9.4 49.2 9.7 108 112 A D S S+ 0 0 112 -2,-0.4 2,-0.3 47,-0.1 48,-0.2 0.732 78.1 7.4 -68.1 -32.5 -8.1 49.9 13.2 109 113 A A E -G 155 0C 26 46,-1.6 46,-2.6 4,-0.0 2,-0.3 -0.958 62.6-125.5-145.0 163.3 -4.4 49.4 12.7 110 114 A N E > -G 154 0C 51 -2,-0.3 4,-1.7 44,-0.3 3,-0.4 -0.741 34.6-110.3-107.4 166.7 -1.7 48.8 10.2 111 115 A L H > S+ 0 0 0 42,-2.6 4,-2.9 39,-0.9 5,-0.2 0.817 114.7 63.2 -68.1 -30.2 0.8 45.9 10.4 112 116 A C H > S+ 0 0 41 38,-0.6 4,-1.1 41,-0.3 -1,-0.2 0.925 107.6 44.5 -53.9 -45.2 3.7 48.2 11.1 113 117 A Q H 4 S+ 0 0 100 -3,-0.4 4,-0.4 1,-0.2 3,-0.2 0.887 113.5 49.6 -67.8 -40.3 2.0 49.1 14.4 114 118 A V H >< S+ 0 0 15 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.876 105.0 57.9 -65.8 -41.3 1.1 45.5 15.1 115 119 A I H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.817 99.5 59.9 -55.9 -33.0 4.7 44.3 14.5 116 120 A Q T 3< S+ 0 0 139 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.657 90.7 92.5 -74.2 -15.2 5.8 46.7 17.3 117 121 A M S < S- 0 0 86 -3,-1.4 2,-1.1 -4,-0.4 88,-0.1 -0.297 91.7-106.2 -71.7 160.2 3.6 44.9 19.8 118 122 A E - 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0 0 45 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.223 45.2-102.3 -69.1 161.0 17.6 32.4 18.5 261 277 A D G > S+ 0 0 85 1,-0.3 3,-2.0 2,-0.2 14,-0.0 0.796 115.0 73.2 -51.1 -34.6 15.0 31.5 21.2 262 278 A V G 3 S+ 0 0 128 1,-0.3 -1,-0.3 4,-0.0 4,-0.0 0.709 92.8 55.5 -57.2 -20.4 15.7 34.7 23.1 263 279 A L G < S+ 0 0 66 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.615 93.9 88.7 -85.8 -15.6 13.8 36.7 20.4 264 280 A F S < S- 0 0 16 -3,-2.0 4,-0.0 -4,-0.4 -144,-0.0 -0.248 97.8 -62.0 -84.2 167.2 10.7 34.6 20.7 265 281 A P > - 0 0 25 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 -0.187 62.0-106.8 -51.4 139.6 7.7 35.3 23.1 266 282 A A T 3 S+ 0 0 96 1,-0.2 -4,-0.0 -3,-0.1 -3,-0.0 -0.321 96.9 9.7 -65.9 150.1 8.7 35.1 26.7 267 283 A D T 3 S+ 0 0 163 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.882 90.0 124.9 46.4 51.2 7.5 32.0 28.8 268 284 A S X + 0 0 10 -3,-0.6 3,-1.1 1,-0.1 7,-0.2 0.000 20.4 119.5-125.7 27.1 6.3 30.2 25.6 269 285 A E T 3 S+ 0 0 124 1,-0.3 -1,-0.1 5,-0.1 -2,-0.0 0.768 82.2 38.4 -71.8 -23.2 8.2 26.9 25.9 270 286 A H T 3 S+ 0 0 179 -3,-0.1 -1,-0.3 4,-0.0 2,-0.1 -0.051 83.8 130.0-120.0 35.7 5.1 24.7 26.0 271 287 A N S < S- 0 0 62 -3,-1.1 -3,-0.1 2,-0.3 -4,-0.0 -0.377 72.6-110.4 -75.0 161.0 2.8 26.5 23.6 272 288 A K S S+ 0 0 185 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.887 109.2 52.4 -59.8 -37.4 1.0 24.5 20.9 273 289 A L S S- 0 0 16 31,-0.0 2,-0.3 32,-0.0 -2,-0.3 -0.771 83.1-145.9-101.7 155.0 3.3 26.3 18.4 274 290 A K > - 0 0 68 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.862 23.9-128.7-124.9 146.0 7.1 26.3 18.8 275 291 A A H > S+ 0 0 16 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.852 112.9 59.3 -55.4 -37.2 10.0 28.7 18.1 276 292 A S H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 104.6 48.7 -64.3 -36.4 11.7 25.8 16.2 277 293 A Q H > S+ 0 0 47 -3,-0.4 4,-2.3 2,-0.2 27,-0.3 0.915 112.3 47.8 -66.8 -46.1 8.7 25.6 13.8 278 294 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.925 112.9 49.4 -57.7 -45.6 8.8 29.4 13.2 279 295 A R H X S+ 0 0 23 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.918 109.6 51.6 -60.6 -41.6 12.6 29.1 12.6 280 296 A D H X S+ 0 0 60 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.912 111.2 47.2 -60.4 -44.2 12.1 26.2 10.2 281 297 A L H >X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 3,-1.3 0.942 110.7 51.6 -65.8 -45.8 9.5 28.2 8.2 282 298 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 3,-0.4 0.900 105.7 56.4 -53.5 -42.5 11.8 31.3 8.1 283 299 A S H 3< S+ 0 0 39 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.634 110.4 45.0 -65.5 -17.6 14.6 29.0 6.8 284 300 A K H << S+ 0 0 86 -3,-1.3 10,-2.3 -4,-0.7 -1,-0.2 0.598 117.2 41.7-102.4 -18.6 12.4 28.0 3.9 285 301 A M H < S+ 0 0 0 -4,-1.4 2,-1.9 -3,-0.4 -2,-0.2 0.846 105.8 61.1 -93.5 -40.2 11.0 31.4 2.9 286 302 A L S < S+ 0 0 6 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.2 -0.468 74.4 133.2 -87.5 65.6 14.2 33.4 3.3 287 303 A V - 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