==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-APR-10 3MH1 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.V.NAMBOODIRI,M.KARPUSAS,M.BUKHTIYAROVA,E.B.SPRINGMAN . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 63.5 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 . 43 12.8 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 . 3 0.9 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 28.8 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 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 . 2 0 2 0 1 2 0 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 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 5 A R 0 0 161 0, 0.0 89,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.4 57.7 41.0 7.4 2 6 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.184 360.0 -99.0 -66.6 163.3 57.4 42.3 11.0 3 7 A T - 0 0 84 1,-0.0 15,-2.5 0, 0.0 2,-0.3 -0.764 42.9-153.4 -85.1 126.1 59.8 41.5 13.9 4 8 A F E -A 17 0A 39 -2,-0.5 2,-0.3 13,-0.2 11,-0.0 -0.707 11.0-165.2-104.0 150.1 58.4 38.7 16.1 5 9 A Y E -A 16 0A 61 11,-1.9 11,-1.6 -2,-0.3 2,-0.3 -0.919 15.3-130.8-128.7 160.7 59.0 37.8 19.7 6 10 A R E +A 15 0A 150 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.838 24.2 171.3-118.0 149.5 58.2 34.7 21.7 7 11 A Q E -A 14 0A 57 7,-1.9 7,-3.3 -2,-0.3 2,-0.7 -0.972 30.3-131.1-159.3 134.3 56.4 34.2 25.0 8 12 A E E -A 13 0A 114 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.795 25.8-175.9 -90.3 119.7 55.1 31.3 27.0 9 13 A L E > -A 12 0A 20 3,-2.4 3,-1.4 -2,-0.7 2,-1.0 -0.982 59.2 -66.4-119.5 117.5 51.5 32.1 28.1 10 14 A N T 3 S+ 0 0 135 -2,-0.5 -2,-0.0 1,-0.3 3,-0.0 -0.231 128.1 11.1 40.2 -83.2 50.2 29.4 30.4 11 15 A K T 3 S+ 0 0 92 -2,-1.0 -1,-0.3 -3,-0.1 2,-0.2 0.896 121.8 19.8 -88.3 -53.3 50.1 26.6 27.9 12 16 A T E < S-A 9 0A 55 -3,-1.4 -3,-2.4 -5,-0.1 2,-0.5 -0.689 75.3 -89.6-128.0 168.6 51.9 27.5 24.6 13 17 A I E -A 8 0A 64 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.714 36.7-156.8 -77.6 122.7 54.5 29.6 22.9 14 18 A W E -A 7 0A 1 -7,-3.3 -7,-1.9 -2,-0.5 2,-0.5 -0.907 7.1-169.8 -97.6 132.3 52.9 32.8 21.4 15 19 A E E +A 6 0A 49 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.914 21.2 157.4-121.9 104.8 54.9 34.3 18.6 16 20 A V E -A 5 0A 1 -11,-1.6 -11,-1.9 -2,-0.5 -2,-0.0 -0.869 46.7 -86.9-129.3 154.9 53.6 37.8 17.6 17 21 A P E > -A 4 0A 4 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.221 41.6-116.3 -51.2 148.0 54.7 41.0 15.9 18 22 A E T 3 S+ 0 0 110 -15,-2.5 22,-0.2 1,-0.3 -14,-0.1 0.769 109.7 78.3 -60.6 -22.1 56.4 43.4 18.2 19 23 A R T 3 S+ 0 0 68 -16,-0.2 21,-2.2 20,-0.1 2,-0.6 0.760 84.1 69.9 -57.7 -23.2 53.6 45.8 17.4 20 24 A Y E < S+B 39 0B 0 -3,-1.9 2,-0.2 19,-0.2 19,-0.2 -0.881 73.4 177.5-103.5 123.6 51.4 43.8 19.9 21 25 A Q E +B 38 0B 67 17,-2.4 17,-2.7 -2,-0.6 3,-0.1 -0.704 44.8 23.4-125.1 167.9 52.4 44.2 23.6 22 26 A N E S- 0 0 126 -2,-0.2 -1,-0.2 15,-0.2 2,-0.1 0.922 73.7-158.4 46.5 54.2 51.6 43.3 27.2 23 27 A L E - 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.425 12.1-174.0 -66.5 136.2 49.7 40.2 26.1 24 28 A S E -B 36 0B 64 12,-2.9 12,-2.2 -3,-0.1 -1,-0.0 -0.856 23.8-123.5-141.3 108.5 47.4 39.1 28.7 25 29 A P E +B 35 0B 50 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.102 25.6 178.9 -58.1 138.2 45.4 35.8 28.5 26 30 A V E - 0 0 91 8,-3.0 2,-0.2 1,-0.4 9,-0.2 0.189 51.0 -91.4-122.6 11.3 41.6 36.3 28.8 27 31 A G E -B 34 0B 41 7,-0.6 7,-2.1 2,-0.1 2,-0.6 -0.647 53.6 -43.3 117.7-176.1 40.6 32.7 28.4 28 32 A S E +B 33 0B 90 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.881 65.4 162.5 -95.5 122.1 39.6 30.0 25.9 29 33 A G - 0 0 9 3,-1.9 138,-0.2 -2,-0.6 -2,-0.1 -0.991 52.0 -7.7-148.4 142.9 37.2 31.4 23.4 30 34 A A S S- 0 0 26 136,-0.7 -1,-0.1 -2,-0.3 137,-0.0 0.863 126.3 -46.8 40.7 66.8 35.8 30.5 19.9 31 35 A Y S S+ 0 0 136 20,-0.1 21,-1.0 -3,-0.1 2,-0.2 0.865 126.5 45.0 29.4 77.3 38.2 27.6 19.4 32 36 A G E S- C 0 51B 9 19,-0.3 -3,-1.9 2,-0.0 19,-0.2 -0.625 91.7 -83.8 147.8 155.4 41.7 28.9 20.3 33 37 A S E -BC 28 50B 30 17,-0.8 17,-1.7 -5,-0.2 2,-0.4 -0.425 39.3-145.7 -84.3 162.1 43.0 31.0 23.3 34 38 A V E -BC 27 49B 22 -7,-2.1 -8,-3.0 15,-0.2 -7,-0.6 -0.994 11.7-169.2-133.5 128.7 42.8 34.7 23.4 35 39 A C E -BC 25 48B 0 13,-2.4 13,-3.4 -2,-0.4 2,-0.3 -0.944 22.0-132.6-109.5 143.4 45.1 37.3 24.8 36 40 A A E -BC 24 47B 3 -12,-2.2 -12,-2.9 -2,-0.4 2,-0.3 -0.713 36.1-179.1 -78.5 142.1 44.3 41.0 25.2 37 41 A A E - C 0 46B 2 9,-2.5 9,-3.0 -2,-0.3 2,-0.6 -0.964 32.2-115.5-143.8 157.7 47.1 43.0 23.8 38 42 A F E -BC 21 45B 80 -17,-2.7 -17,-2.4 -2,-0.3 2,-1.1 -0.866 25.3-143.0 -94.2 119.4 48.0 46.7 23.4 39 43 A D E >>> -BC 20 44B 3 5,-3.2 4,-2.7 -2,-0.6 3,-1.3 -0.715 13.9-170.1 -84.9 97.4 48.3 47.6 19.7 40 44 A T T 345S+ 0 0 78 -21,-2.2 -1,-0.2 -2,-1.1 -20,-0.1 0.687 81.4 64.9 -63.7 -14.1 51.3 50.1 19.8 41 45 A K T 345S+ 0 0 145 -22,-0.4 -1,-0.3 1,-0.1 -21,-0.1 0.872 121.2 14.8 -77.8 -33.4 50.5 51.0 16.2 42 46 A T T <45S- 0 0 69 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.1 0.547 97.0-120.5-118.1 -12.5 47.1 52.5 16.9 43 47 A G T <5S+ 0 0 44 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.608 74.3 122.4 77.6 13.5 47.1 53.0 20.7 44 48 A L E < -C 39 0B 101 -5,-0.8 -5,-3.2 -6,-0.0 2,-0.3 -0.755 64.4-118.5-110.0 154.1 44.1 50.7 21.1 45 49 A R E +C 38 0B 151 -2,-0.3 59,-0.9 -7,-0.2 2,-0.3 -0.704 39.8 179.6 -88.8 144.0 43.7 47.5 23.0 46 50 A V E -CD 37 103B 1 -9,-3.0 -9,-2.5 -2,-0.3 2,-0.5 -0.827 30.5-113.3-136.5 170.1 42.8 44.4 21.0 47 51 A A E -CD 36 102B 11 55,-2.8 55,-2.4 -2,-0.3 2,-0.6 -0.967 24.5-166.6-106.6 126.1 42.1 40.7 21.1 48 52 A V E -CD 35 101B 0 -13,-3.4 -13,-2.4 -2,-0.5 2,-0.6 -0.956 6.2-163.8-110.5 119.7 44.6 38.3 19.6 49 53 A K E -CD 34 100B 31 51,-4.0 51,-3.0 -2,-0.6 2,-0.7 -0.916 9.0-156.8-109.3 124.3 43.5 34.8 19.1 50 54 A K E -CD 33 99B 25 -17,-1.7 -17,-0.8 -2,-0.6 49,-0.2 -0.843 29.9-123.1 -86.2 114.0 45.9 31.9 18.4 51 55 A L E -C 32 0B 12 47,-3.0 2,-0.6 -2,-0.7 47,-0.3 -0.369 20.8-120.4 -65.2 137.3 43.9 29.2 16.6 52 56 A S S S- 0 0 46 -21,-1.0 4,-0.2 1,-0.2 -1,-0.1 -0.727 80.4 -31.1 -76.3 113.6 43.9 25.8 18.3 53 57 A R S > S- 0 0 176 -2,-0.6 3,-1.6 1,-0.1 -1,-0.2 0.910 72.5-172.1 38.0 65.5 45.5 23.1 16.0 54 58 A P T 3 S+ 0 0 7 0, 0.0 10,-0.5 0, 0.0 3,-0.2 0.779 81.0 34.5 -54.8 -29.6 44.2 24.8 12.9 55 59 A F T 3 S+ 0 0 20 41,-0.3 -2,-0.1 1,-0.1 6,-0.1 -0.060 74.6 123.5-123.1 28.9 45.3 21.8 10.7 56 60 A Q S < S- 0 0 111 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.1 0.766 86.5 -19.2 -59.6 -30.0 44.6 18.8 13.1 57 61 A S S > S- 0 0 34 -4,-0.2 4,-2.8 -3,-0.2 5,-0.2 -0.962 77.7 -81.1-164.9 171.0 42.4 17.4 10.4 58 62 A I H > S+ 0 0 87 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.911 128.4 50.5 -47.8 -46.5 40.3 17.9 7.3 59 63 A I H > S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.902 114.5 41.1 -63.3 -45.5 37.5 19.2 9.7 60 64 A H H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.869 115.7 50.6 -70.1 -38.9 39.8 21.6 11.5 61 65 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 110.2 47.8 -71.6 -44.2 41.6 22.8 8.4 62 66 A K H X S+ 0 0 27 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.844 113.5 49.5 -66.2 -31.6 38.4 23.5 6.5 63 67 A R H X S+ 0 0 74 -4,-1.4 4,-3.0 -5,-0.2 -2,-0.2 0.898 106.4 53.9 -78.5 -36.4 37.1 25.4 9.5 64 68 A T H X S+ 0 0 8 -4,-2.7 4,-2.3 -10,-0.5 -2,-0.2 0.955 114.7 43.5 -49.9 -50.3 40.3 27.5 9.9 65 69 A Y H X S+ 0 0 18 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.947 113.0 50.6 -64.3 -49.4 39.8 28.4 6.2 66 70 A R H X S+ 0 0 75 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.954 112.2 48.3 -48.4 -50.9 36.0 29.0 6.6 67 71 A E H X S+ 0 0 38 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.861 112.0 48.0 -66.8 -35.7 36.7 31.3 9.6 68 72 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.935 113.0 48.4 -68.2 -47.6 39.5 33.2 7.7 69 73 A R H X S+ 0 0 34 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.931 115.7 44.5 -48.8 -53.8 37.3 33.7 4.6 70 74 A L H X S+ 0 0 47 -4,-2.8 4,-2.1 -5,-0.2 3,-0.3 0.931 114.9 46.4 -64.7 -48.0 34.3 34.9 6.8 71 75 A L H < S+ 0 0 6 -4,-2.3 11,-0.6 1,-0.3 -1,-0.2 0.868 112.3 50.7 -69.5 -35.1 36.2 37.2 9.0 72 76 A K H < S+ 0 0 40 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.801 112.6 49.1 -63.4 -29.8 38.1 38.7 6.1 73 77 A H H < S+ 0 0 36 -4,-1.4 2,-0.4 -3,-0.3 -2,-0.2 0.878 86.6 91.1 -81.4 -40.2 34.7 39.3 4.3 74 78 A M < + 0 0 13 -4,-2.1 8,-0.5 6,-0.1 2,-0.3 -0.438 41.1 161.0 -64.7 112.2 32.7 41.0 7.1 75 79 A K + 0 0 158 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.787 31.5 110.2-134.8 88.0 33.0 44.8 7.0 76 80 A H B > S-F 79 0C 19 3,-0.6 3,-2.0 -2,-0.3 57,-0.0 -0.946 71.9-118.9-163.5 136.8 30.2 46.3 8.9 77 81 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.790 114.1 46.4 -51.3 -32.5 29.7 48.2 12.2 78 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.4 2,-0.1 2,-0.4 0.073 104.4 68.5-102.0 21.0 27.4 45.4 13.7 79 83 A V B < S-Fg 76 162C 5 -3,-2.0 -3,-0.6 82,-0.3 84,-0.2 -0.978 91.4-101.2-140.8 128.5 29.5 42.3 12.7 80 84 A I - 0 0 10 82,-2.3 2,-0.2 -2,-0.4 -6,-0.1 -0.125 48.2-170.1 -36.4 133.6 32.9 41.2 14.0 81 85 A G - 0 0 20 -6,-0.1 2,-0.6 -4,-0.1 22,-0.3 -0.800 23.1 -98.7-132.9 172.2 35.7 42.2 11.5 82 86 A L + 0 0 12 -11,-0.6 20,-0.2 -8,-0.5 3,-0.1 -0.871 28.8 171.4-106.7 114.7 39.4 41.5 11.0 83 87 A L S S- 0 0 28 18,-1.8 2,-0.3 -2,-0.6 19,-0.2 0.794 74.5 -17.0 -81.2 -33.7 42.0 44.0 12.1 84 88 A D E -E 101 0B 26 17,-1.5 17,-3.2 252,-0.1 2,-0.4 -0.968 49.1-162.2-169.4 151.2 44.9 41.6 11.3 85 89 A V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.989 25.0 162.3-135.7 139.3 45.9 38.1 10.7 86 90 A F E -E 99 0B 12 13,-1.9 13,-2.5 -2,-0.4 -2,-0.0 -0.985 23.9-162.4-152.2 164.9 49.4 36.7 10.9 87 91 A T - 0 0 9 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.984 24.4-137.5-140.2 143.4 51.6 33.7 11.2 88 92 A P S S+ 0 0 16 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.672 76.7 107.3 -68.7 -19.9 55.3 33.4 12.3 89 93 A A - 0 0 11 8,-0.2 2,-0.4 5,-0.1 -2,-0.2 -0.344 57.6-159.0 -60.8 142.1 55.8 31.0 9.4 90 94 A R S S+ 0 0 165 1,-0.1 2,-0.1 -2,-0.0 3,-0.1 -0.807 70.4 14.2-126.2 83.5 57.8 32.3 6.5 91 95 A S S > S- 0 0 34 -2,-0.4 3,-0.9 1,-0.1 4,-0.5 -0.182 88.0 -94.3 119.4 148.9 56.7 29.9 3.6 92 96 A L G > S+ 0 0 70 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.776 119.3 64.2 -61.3 -28.6 54.0 27.4 3.2 93 97 A E G 3 S+ 0 0 184 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.838 108.4 39.2 -66.7 -35.8 56.3 24.6 4.4 94 98 A E G < S+ 0 0 113 -3,-0.9 2,-0.5 -6,-0.0 -1,-0.2 0.435 86.0 128.0 -85.9 -6.1 56.6 26.1 7.9 95 99 A F < + 0 0 0 -3,-0.8 3,-0.1 -4,-0.5 233,-0.1 -0.429 16.8 123.1 -74.0 109.1 53.0 27.1 8.0 96 100 A N + 0 0 96 -2,-0.5 2,-0.3 1,-0.2 -41,-0.3 0.556 56.4 59.4-131.6 -30.5 51.4 25.8 11.3 97 101 A D - 0 0 50 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.2 -0.815 50.7-168.9-113.3 152.2 49.9 28.7 13.3 98 102 A V - 0 0 1 -2,-0.3 -47,-3.0 -47,-0.3 2,-0.4 -0.996 5.6-167.9-137.1 126.5 47.2 31.3 12.5 99 103 A Y E -DE 50 86B 2 -13,-2.5 -13,-1.9 -2,-0.4 2,-0.4 -0.949 4.3-160.6-117.2 136.2 46.6 34.3 14.7 100 104 A L E -DE 49 85B 7 -51,-3.0 -51,-4.0 -2,-0.4 2,-0.4 -0.959 2.5-159.1-120.5 136.8 43.6 36.5 14.3 101 105 A V E +DE 48 84B 0 -17,-3.2 -18,-1.8 -2,-0.4 -17,-1.5 -0.966 22.2 151.6-120.5 130.5 43.3 40.0 15.7 102 106 A T E -D 47 0B 23 -55,-2.4 -55,-2.8 -2,-0.4 -20,-0.1 -0.873 52.5 -62.7-141.8 177.0 40.0 41.9 16.4 103 107 A H E -D 46 0B 89 -22,-0.3 2,-0.4 -2,-0.3 -57,-0.2 -0.369 58.4-108.0 -63.1 143.2 38.7 44.6 18.7 104 108 A L - 0 0 52 -59,-0.9 -1,-0.1 1,-0.2 -59,-0.1 -0.646 40.4-175.3 -71.6 133.5 38.8 43.7 22.3 105 109 A M - 0 0 35 -2,-0.4 2,-1.3 1,-0.1 -1,-0.2 0.917 10.8-176.9-107.5 -54.9 35.3 43.0 23.4 106 110 A G + 0 0 73 49,-0.1 2,-0.4 61,-0.1 -1,-0.1 -0.393 60.9 44.3 95.5 -62.0 34.8 42.3 27.1 107 111 A A - 0 0 23 -2,-1.3 47,-2.5 47,-0.3 2,-0.2 -0.935 57.8-155.2-127.5 148.1 31.0 41.6 27.3 108 112 A D B > -H 153 0C 21 -2,-0.4 4,-1.3 45,-0.3 3,-0.5 -0.664 42.2 -98.0-103.6 169.5 28.4 39.6 25.5 109 113 A L H > S+ 0 0 0 43,-2.4 4,-2.3 40,-1.2 5,-0.2 0.785 123.0 60.2 -58.2 -29.9 24.6 40.2 25.5 110 114 A N H > S+ 0 0 18 39,-0.6 4,-1.5 42,-0.2 -1,-0.2 0.928 99.9 53.8 -65.7 -45.8 24.2 37.5 28.1 111 115 A N H > S+ 0 0 72 -3,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.835 112.1 47.4 -51.7 -39.1 26.4 39.5 30.6 112 116 A I H >X S+ 0 0 21 -4,-1.3 4,-0.9 1,-0.2 3,-0.7 0.970 110.8 45.7 -71.6 -57.4 24.2 42.5 30.1 113 117 A V H 3< S+ 0 0 17 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.756 106.6 64.3 -56.6 -26.2 20.6 41.0 30.4 114 118 A K H 3< S+ 0 0 139 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.805 112.2 27.4 -77.2 -37.0 21.8 39.1 33.6 115 119 A C H << S+ 0 0 98 -4,-0.8 -2,-0.1 -3,-0.7 -3,-0.1 0.913 119.4 42.8 -80.8 -75.3 22.5 42.0 35.8 116 120 A Q S < S- 0 0 101 -4,-0.9 2,-0.4 1,-0.1 0, 0.0 0.231 75.6-120.9 -64.4 178.8 20.2 44.9 34.7 117 121 A K - 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0 0 3 -4,-1.9 -3,-0.1 26,-0.4 -1,-0.1 0.223 41.6 -52.9 84.7 150.9 -0.2 27.2 18.8 227 241 A T S S- 0 0 36 1,-0.1 26,-0.2 -5,-0.1 19,-0.0 -0.185 75.0 -89.0 -55.6 146.5 -0.3 23.9 16.9 228 242 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.332 43.3-116.0 -63.0 141.7 0.4 24.2 13.2 229 243 A G >> - 0 0 33 -3,-0.1 3,-2.3 1,-0.1 4,-2.2 -0.245 34.4 -94.7 -68.1 160.9 -2.6 24.9 10.9 230 244 A A H 3> S+ 0 0 80 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.858 124.1 59.0 -37.5 -50.3 -3.7 22.5 8.2 231 245 A E H 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.639 111.2 40.8 -61.8 -19.8 -1.5 24.4 5.6 232 246 A L H X4 S+ 0 0 16 -3,-2.3 3,-1.7 2,-0.1 -1,-0.2 0.809 107.5 56.7-100.8 -37.6 1.6 23.8 7.6 233 247 A L H >< S+ 0 0 28 -4,-2.2 3,-2.9 1,-0.3 4,-0.4 0.923 95.7 69.4 -60.2 -43.2 1.1 20.1 8.7 234 248 A K T 3< S+ 0 0 175 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.696 98.5 52.8 -38.1 -27.4 0.8 19.3 5.0 235 249 A K T < S+ 0 0 92 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.470 84.0 89.9 -94.7 -3.2 4.5 20.1 4.8 236 250 A I < + 0 0 15 -3,-2.9 2,-1.9 -4,-0.2 -1,-0.1 0.944 47.3 178.7 -73.3 -54.4 5.9 17.9 7.5 237 251 A S + 0 0 108 -4,-0.4 2,-0.3 1,-0.2 -1,-0.2 -0.351 51.8 101.2 86.7 -58.9 6.8 14.5 5.9 238 252 A S > - 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0 0 131 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 -0.532 65.5 -98.2 -65.3 115.2 -4.4 18.5 23.8 250 264 A Q - 0 0 125 -2,-0.4 -1,-0.1 -4,-0.2 -2,-0.1 0.078 37.9-174.0 -23.9 132.4 -4.2 21.4 21.4 251 265 A M - 0 0 109 -29,-0.1 -25,-0.3 -3,-0.1 3,-0.2 -0.748 22.1-164.7-134.2 88.2 -2.9 24.5 23.1 252 266 A P - 0 0 70 0, 0.0 -26,-0.4 0, 0.0 -30,-0.0 -0.083 37.7 -33.4 -83.5-177.3 -3.4 27.1 20.3 253 267 A K - 0 0 116 -28,-0.4 -28,-0.2 -26,-0.2 -29,-0.1 0.066 59.5-146.8 -48.6 112.1 -2.0 30.6 19.8 254 268 A M - 0 0 99 -30,-2.1 2,-1.0 -31,-0.4 3,-0.1 -0.161 32.4 -94.6 -61.8 161.6 -1.5 32.5 23.1 255 269 A N >> - 0 0 84 1,-0.2 3,-1.3 2,-0.0 4,-1.0 -0.787 28.4-155.1 -86.0 107.3 -2.1 36.2 23.1 256 270 A F H >> S+ 0 0 6 -2,-1.0 4,-3.0 1,-0.3 3,-1.6 0.907 97.0 58.7 -45.0 -42.0 1.4 37.6 22.6 257 271 A A H 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 6,-0.2 0.841 104.6 48.8 -59.5 -36.5 -0.1 40.7 24.3 258 272 A N H <4 S+ 0 0 102 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.580 115.0 45.8 -74.9 -14.6 -0.9 38.6 27.4 259 273 A V H << S+ 0 0 48 -3,-1.6 -2,-0.2 -4,-1.0 -3,-0.2 0.806 121.3 35.6 -96.6 -41.0 2.6 37.0 27.4 260 274 A F S >< S+ 0 0 6 -4,-3.0 3,-3.2 -5,-0.2 -2,-0.2 -0.008 84.1 165.9 -96.9 25.2 4.5 40.3 26.9 261 275 A I T 3 S+ 0 0 138 1,-0.3 -3,-0.1 -5,-0.1 3,-0.1 -0.157 70.2 23.3 -43.2 127.1 1.9 42.3 29.1 262 276 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.3 -5,-0.1 2,-0.1 0.156 94.5 117.4 93.8 -19.6 3.7 45.7 29.8 263 277 A A S < S- 0 0 24 -3,-3.2 -1,-0.4 -6,-0.2 5,-0.1 -0.481 84.4 -81.2 -72.2 151.4 6.1 45.7 26.8 264 278 A N >> - 0 0 46 1,-0.1 4,-1.8 -2,-0.1 3,-1.0 -0.310 40.7-129.1 -44.7 127.3 5.7 48.4 24.2 265 279 A P H 3> S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.807 108.6 58.0 -57.8 -29.6 2.9 47.3 21.9 266 280 A L H 3> S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.838 104.8 51.0 -70.0 -29.5 5.0 47.9 18.8 267 281 A A H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.886 108.8 51.6 -69.9 -40.7 7.6 45.4 20.2 268 282 A V H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.936 109.6 49.8 -59.2 -46.2 4.8 42.8 20.8 269 283 A D H X S+ 0 0 58 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.907 111.9 47.0 -59.7 -44.7 3.6 43.3 17.1 270 284 A L H >X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 3,-0.6 0.923 109.3 55.1 -64.4 -46.0 7.2 42.8 15.7 271 285 A L H >X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 3,-1.4 0.941 104.1 54.0 -49.3 -50.3 7.6 39.7 18.0 272 286 A E H 3< S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.4 50.0 -56.0 -30.2 4.4 38.2 16.5 273 287 A K H << S+ 0 0 86 -4,-1.1 10,-2.1 -3,-0.6 3,-0.3 0.639 114.8 41.8 -85.5 -14.4 6.0 38.7 13.0 274 288 A M H << S+ 0 0 0 -3,-1.4 2,-1.1 -4,-1.0 -2,-0.2 0.815 107.9 59.6 -93.3 -42.5 9.3 37.1 13.9 275 289 A L S < S+ 0 0 3 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 -0.358 72.6 133.8 -92.6 53.7 8.0 34.2 15.8 276 290 A V - 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