==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUL-11 2LGC . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HABECK . 359 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 59.1 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 10.9 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 . 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 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 . 0 1 2 1 0 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 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 S 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.4 45.8 -6.5 -40.5 2 -3 A H + 0 0 177 2,-0.1 2,-0.4 0, 0.0 0, 0.0 0.226 360.0 115.8-107.6 8.9 48.7 -4.3 -39.1 3 -2 A M - 0 0 183 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.662 48.8-166.4 -74.1 131.9 48.1 -1.4 -41.5 4 -1 A L - 0 0 142 -2,-0.4 2,-0.4 2,-0.0 -2,-0.1 -0.940 24.9-113.9-117.9 147.5 47.1 1.7 -39.4 5 0 A E - 0 0 182 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.663 22.1-160.7 -74.2 132.6 45.6 5.0 -40.6 6 1 A M - 0 0 172 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.436 69.0 -7.7 -97.3 -1.2 48.1 7.8 -39.9 7 2 A S - 0 0 102 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.938 65.6-133.9-175.1 175.4 45.6 10.7 -40.0 8 3 A Q - 0 0 180 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.993 14.1-124.7-152.5 146.7 42.0 11.4 -40.9 9 4 A E - 0 0 184 -2,-0.3 3,-0.0 1,-0.0 -2,-0.0 -0.664 23.5-127.2 -92.9 141.7 40.0 13.9 -42.9 10 5 A R - 0 0 113 -2,-0.3 2,-0.1 1,-0.1 89,-0.0 -0.654 34.3-109.1 -80.9 141.6 37.2 16.0 -41.3 11 6 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.417 35.2-106.4 -65.0 153.9 34.0 15.7 -43.3 12 7 A T - 0 0 88 -2,-0.1 15,-2.6 -3,-0.0 16,-0.3 -0.668 39.1-154.7 -77.1 146.3 33.0 18.9 -45.2 13 8 A F E -A 26 0A 22 -2,-0.3 2,-0.3 13,-0.3 11,-0.0 -0.692 8.3-160.2-117.6 158.2 30.0 20.7 -43.6 14 9 A Y E -A 25 0A 50 11,-2.3 11,-1.7 -2,-0.2 2,-0.3 -0.967 11.5-134.2-137.2 162.0 27.5 23.1 -44.9 15 10 A R E +A 24 0A 156 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.796 26.0 157.9-118.5 152.5 25.2 25.6 -43.3 16 11 A Q E -A 23 0A 53 7,-1.6 7,-2.3 -2,-0.3 2,-0.5 -0.972 41.1 -99.7-165.1 160.0 21.5 26.4 -43.6 17 12 A E E +A 22 0A 127 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.757 44.6 160.1 -91.2 122.9 18.6 28.0 -41.8 18 13 A L E > +A 21 0A 15 3,-1.1 3,-1.5 -2,-0.5 -2,-0.1 -0.976 69.4 1.4-143.4 137.2 16.2 25.7 -40.1 19 14 A N T 3 S- 0 0 80 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.844 130.0 -62.6 53.6 33.6 13.8 26.5 -37.3 20 15 A K T 3 S+ 0 0 178 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.611 121.2 87.7 70.7 18.1 15.0 30.0 -37.6 21 16 A T E < S-A 18 0A 63 -3,-1.5 -3,-1.1 -5,-0.1 2,-0.6 -0.516 86.7 -86.1-131.8-174.4 18.6 29.1 -36.6 22 17 A I E -A 17 0A 69 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.915 34.6-172.9-107.9 105.5 21.9 27.8 -38.2 23 18 A W E -A 16 0A 1 -7,-2.3 -7,-1.6 -2,-0.6 2,-0.5 -0.849 5.8-174.4 -88.2 123.6 22.0 24.0 -38.7 24 19 A E E +A 15 0A 47 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.944 15.4 161.9-125.7 105.9 25.6 23.1 -39.9 25 20 A V E -A 14 0A 0 -11,-1.7 -11,-2.3 -2,-0.5 -2,-0.0 -0.800 44.5 -84.1-124.5 161.4 26.0 19.5 -40.8 26 21 A P E > -A 13 0A 2 0, 0.0 3,-2.2 0, 0.0 -13,-0.3 -0.274 43.9-112.9 -60.3 149.2 28.3 17.2 -42.7 27 22 A E T 3 S+ 0 0 105 -15,-2.6 -14,-0.1 1,-0.3 22,-0.1 0.501 109.4 85.4 -68.4 2.0 27.5 17.1 -46.4 28 23 A R T 3 S+ 0 0 44 -16,-0.3 21,-2.5 20,-0.1 2,-0.5 0.738 81.5 67.2 -64.8 -27.7 26.6 13.5 -45.6 29 24 A Y E < -B 48 0B 0 -3,-2.2 2,-0.4 19,-0.2 19,-0.2 -0.851 67.1-179.0-102.0 135.5 23.1 14.7 -44.6 30 25 A Q E +B 47 0B 78 17,-2.7 17,-2.6 -2,-0.5 -3,-0.0 -0.977 53.2 17.0-137.3 143.1 20.7 16.1 -47.2 31 26 A N E - 0 0 122 -2,-0.4 2,-0.7 15,-0.2 -1,-0.2 0.978 66.8-168.2 71.1 54.2 17.1 17.5 -47.2 32 27 A L E - 0 0 8 -3,-0.2 14,-0.2 14,-0.2 -1,-0.2 -0.733 7.2-178.7 -79.3 118.2 16.7 18.3 -43.5 33 28 A S E -B 45 0B 59 12,-1.7 12,-3.1 -2,-0.7 -15,-0.1 -0.955 32.1-107.9-113.7 135.9 13.0 19.1 -42.7 34 29 A P E -B 44 0B 57 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.236 37.1-163.3 -63.8 144.1 11.9 20.0 -39.2 35 30 A V > + 0 0 53 8,-2.6 3,-0.7 1,-0.1 8,-0.5 -0.878 57.6 13.0-122.6 155.6 9.9 17.4 -37.5 36 31 A G G > S- 0 0 31 -2,-0.3 3,-1.8 1,-0.2 4,-0.1 0.428 94.6-104.0 67.3 1.3 7.7 17.5 -34.4 37 32 A S G 3 S- 0 0 123 1,-0.3 -1,-0.2 6,-0.2 5,-0.1 0.862 79.5 -48.9 55.4 48.2 7.3 21.3 -34.0 38 33 A G G < S+ 0 0 41 -3,-0.7 -1,-0.3 3,-0.3 142,-0.3 0.028 111.6 116.9 83.1 -28.8 9.6 21.8 -31.1 39 34 A A S < S+ 0 0 61 -3,-1.8 -2,-0.1 140,-0.1 141,-0.1 0.763 83.0 29.7 -44.1 -36.7 8.0 18.9 -29.2 40 35 A Y S S- 0 0 46 1,-0.5 140,-0.5 -5,-0.3 2,-0.1 0.360 119.9 -73.4 -95.1-130.4 11.2 16.9 -29.2 41 36 A G S S- 0 0 25 138,-0.1 2,-0.9 1,-0.0 -1,-0.5 -0.031 84.3 -52.4 -94.8-140.0 14.4 18.9 -29.2 42 37 A S E S+ C 0 59B 34 17,-0.9 17,-2.7 -3,-0.1 2,-0.4 -0.901 80.8 171.5 -92.2 117.6 15.3 20.6 -32.4 43 38 A V E - C 0 58B 18 -2,-0.9 -8,-2.6 -8,-0.5 2,-0.4 -0.990 15.3-171.4-131.3 127.9 15.0 17.5 -34.6 44 39 A C E -BC 34 57B 0 13,-2.0 13,-2.9 -2,-0.4 2,-0.2 -0.971 20.8-131.8-119.8 138.2 15.1 17.5 -38.4 45 40 A A E +BC 33 56B 4 -12,-3.1 -12,-1.7 -2,-0.4 2,-0.3 -0.551 40.7 165.3 -76.6 155.7 14.3 14.5 -40.6 46 41 A A E - C 0 55B 0 9,-2.0 9,-2.3 -14,-0.2 2,-0.5 -0.957 40.5-104.8-158.9 175.1 17.0 14.0 -43.3 47 42 A F E -BC 30 54B 82 -17,-2.6 -17,-2.7 -2,-0.3 2,-0.9 -0.974 24.0-150.4-110.4 125.1 18.5 11.8 -45.8 48 43 A D E >> -BC 29 53B 0 5,-2.3 4,-1.1 -2,-0.5 5,-0.7 -0.823 7.0-167.6 -96.4 99.6 21.8 10.1 -44.9 49 44 A T T 45S+ 0 0 74 -21,-2.5 -1,-0.2 -2,-0.9 -20,-0.1 0.644 83.2 59.1 -69.1 -8.1 23.5 9.6 -48.2 50 45 A K T 45S+ 0 0 97 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.954 118.5 22.6 -79.7 -54.2 26.0 7.3 -46.5 51 46 A T T 45S- 0 0 36 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.362 101.1-130.3 -93.9 2.0 23.7 4.6 -45.1 52 47 A G T <5 + 0 0 40 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.669 68.4 113.7 51.0 28.4 21.1 5.5 -47.7 53 48 A L E S+ 0 0 146 7,-0.1 3,-0.9 43,-0.0 4,-0.2 -0.045 74.4 126.8-143.2 30.5 22.3 24.6 -24.9 63 58 A P T 3 S+ 0 0 9 0, 0.0 10,-0.4 0, 0.0 3,-0.3 0.869 78.2 33.0 -71.9 -41.0 24.3 21.6 -23.6 64 59 A F T 3 S+ 0 0 22 41,-0.3 6,-0.1 1,-0.2 279,-0.1 0.100 79.7 119.6-105.0 28.0 27.1 23.3 -21.5 65 60 A Q S < S- 0 0 122 -3,-0.9 2,-0.3 2,-0.1 -1,-0.2 0.765 86.4 -3.1 -63.2 -29.4 25.1 26.3 -20.3 66 61 A S S > S- 0 0 34 -3,-0.3 4,-3.2 -4,-0.2 5,-0.2 -0.939 81.5 -94.9-154.4 169.0 25.5 25.3 -16.7 67 62 A I H > S+ 0 0 80 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.924 126.3 51.0 -60.5 -39.6 27.1 22.6 -14.6 68 63 A I H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.940 114.0 42.6 -64.5 -44.7 23.7 20.9 -14.5 69 64 A H H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 113.2 53.7 -61.7 -42.8 23.2 21.1 -18.3 70 65 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.944 110.6 44.3 -65.8 -45.6 26.9 20.0 -19.0 71 66 A K H X S+ 0 0 37 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.914 112.5 53.8 -64.4 -39.4 26.7 16.8 -16.8 72 67 A R H X S+ 0 0 102 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.893 107.4 50.8 -62.0 -39.1 23.3 16.0 -18.4 73 68 A T H X S+ 0 0 11 -4,-2.4 4,-2.7 -10,-0.4 5,-0.2 0.959 111.6 46.5 -61.3 -50.6 24.8 16.3 -21.8 74 69 A Y H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.933 113.2 51.3 -57.2 -46.6 27.6 14.0 -20.9 75 70 A R H X S+ 0 0 30 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.944 111.1 46.4 -50.8 -57.4 25.1 11.6 -19.3 76 71 A E H X S+ 0 0 28 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.868 113.9 48.4 -61.4 -40.8 22.8 11.5 -22.4 77 72 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.918 111.9 47.7 -64.6 -42.0 25.7 11.0 -24.7 78 73 A R H X S+ 0 0 48 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.901 116.0 46.8 -65.5 -39.7 27.3 8.1 -22.6 79 74 A L H X S+ 0 0 12 -4,-2.8 4,-2.3 -5,-0.2 3,-0.5 0.962 113.1 47.2 -64.8 -52.7 23.8 6.5 -22.4 80 75 A L H < S+ 0 0 15 -4,-2.7 11,-0.7 1,-0.3 -2,-0.2 0.848 110.9 51.9 -61.8 -35.4 23.0 6.9 -26.2 81 76 A K H < S+ 0 0 40 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.827 112.9 47.3 -65.3 -32.3 26.5 5.5 -27.1 82 77 A H H < S+ 0 0 41 -4,-1.2 2,-0.5 -3,-0.5 -2,-0.2 0.887 88.3 91.1 -75.9 -43.2 25.8 2.5 -24.9 83 78 A M < + 0 0 3 -4,-2.3 2,-0.4 6,-0.1 8,-0.3 -0.427 42.7 163.0 -65.7 110.5 22.3 1.5 -26.0 84 79 A K + 0 0 166 -2,-0.5 2,-0.3 6,-0.1 -1,-0.1 -0.806 30.1 115.4-131.6 83.2 22.5 -1.0 -28.9 85 80 A H S > S- 0 0 23 -2,-0.4 3,-0.8 3,-0.4 5,-0.1 -0.978 70.5-116.3-149.7 153.1 19.2 -2.6 -29.2 86 81 A E T 3 S+ 0 0 128 -2,-0.3 56,-0.1 1,-0.2 4,-0.1 0.626 113.7 38.6 -65.6 -18.3 16.3 -2.8 -31.7 87 82 A N T 3 S+ 0 0 4 83,-0.1 84,-3.4 54,-0.1 2,-0.4 0.163 103.4 77.2-120.4 11.3 13.7 -1.1 -29.4 88 83 A V B < S-f 171 0C 1 -3,-0.8 -3,-0.4 82,-0.3 2,-0.4 -0.969 85.6-112.3-122.5 141.1 15.9 1.6 -27.8 89 84 A I + 0 0 19 82,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.590 49.2 162.2 -71.3 126.6 17.0 4.8 -29.6 90 85 A G - 0 0 14 -2,-0.4 2,-0.5 -5,-0.1 22,-0.2 -0.640 35.6 -77.2-131.3-162.2 20.7 4.7 -30.2 91 86 A L + 0 0 19 -11,-0.7 20,-0.2 -8,-0.3 3,-0.1 -0.848 26.2 173.5-118.1 127.9 23.2 6.5 -32.5 92 87 A L S S- 0 0 37 18,-3.0 2,-0.3 -2,-0.5 19,-0.2 0.701 85.6 -11.5 -81.6 -32.4 24.1 6.2 -36.1 93 88 A D E -E 110 0B 25 17,-1.3 17,-2.7 262,-0.1 -1,-0.3 -0.988 52.0-164.2-159.3 160.7 26.3 9.3 -35.8 94 89 A V E +E 109 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.956 28.0 163.4-148.8 131.0 27.2 12.2 -33.4 95 90 A F E -E 108 0B 12 13,-2.0 13,-2.5 -2,-0.3 256,-0.1 -0.937 25.6-159.4-143.6 171.4 29.1 15.2 -34.7 96 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.968 24.2-136.5-147.3 143.7 30.2 18.7 -34.1 97 92 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -84,-0.1 0.536 72.4 115.2 -79.5 1.6 31.4 21.4 -36.5 98 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.527 54.6-159.4 -67.6 126.7 34.1 22.3 -34.0 99 94 A R S S+ 0 0 183 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.516 76.7 1.2 -81.6 -7.7 37.6 21.6 -35.2 100 95 A S S > S- 0 0 36 1,-0.1 3,-1.3 0, 0.0 4,-0.2 -0.974 82.9 -92.3-168.7 168.0 38.9 21.6 -31.6 101 96 A L G > S+ 0 0 52 -2,-0.3 3,-2.7 1,-0.3 -1,-0.1 0.917 119.8 63.6 -57.2 -44.3 37.8 21.9 -28.0 102 97 A E G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.0 0.748 112.3 38.4 -55.4 -19.3 38.5 25.7 -28.1 103 98 A E G < S+ 0 0 82 -3,-1.3 -1,-0.3 2,-0.0 2,-0.3 0.318 87.9 124.9-108.2 7.2 35.7 25.8 -30.7 104 99 A F < + 0 0 0 -3,-2.7 3,-0.1 1,-0.2 243,-0.0 -0.555 18.3 121.9 -86.1 129.3 33.3 23.2 -29.3 105 100 A N + 0 0 97 1,-0.5 -41,-0.3 -2,-0.3 2,-0.2 0.348 55.7 51.7-141.5 -61.1 29.7 24.3 -28.7 106 101 A D - 0 0 47 -45,-0.1 -1,-0.5 -44,-0.1 2,-0.4 -0.597 57.7-158.7 -95.6 143.5 26.9 22.5 -30.4 107 102 A V E -D 60 0B 1 -47,-2.1 -47,-3.2 -2,-0.2 2,-0.4 -0.996 6.5-163.4-114.6 133.3 26.4 18.7 -30.3 108 103 A Y E -DE 59 95B 1 -13,-2.5 -13,-2.0 -2,-0.4 2,-0.4 -0.911 2.1-162.8-114.0 141.2 24.3 16.9 -33.0 109 104 A L E -DE 58 94B 7 -51,-2.4 -51,-3.1 -2,-0.4 2,-0.4 -0.938 2.8-159.0-121.2 144.8 23.0 13.3 -32.6 110 105 A V E +DE 57 93B 1 -17,-2.7 -18,-3.0 -2,-0.4 -17,-1.3 -0.966 18.3 156.6-130.1 133.1 21.8 11.1 -35.4 111 106 A T E -D 56 0B 22 -55,-2.3 -55,-3.2 -2,-0.4 -20,-0.1 -0.885 51.3 -68.8-141.6 176.2 19.5 8.0 -35.2 112 107 A H E -D 55 0B 66 -2,-0.3 2,-0.4 -57,-0.2 -57,-0.3 -0.359 54.9-114.3 -69.5 138.4 17.1 6.1 -37.6 113 108 A L + 0 0 34 -59,-1.8 -59,-0.1 1,-0.2 -1,-0.1 -0.698 34.7 177.5 -77.8 132.5 14.0 8.1 -38.5 114 109 A M - 0 0 19 -2,-0.4 51,-0.4 50,-0.1 -1,-0.2 0.827 27.1-143.1-100.9 -46.4 10.8 6.5 -37.1 115 110 A G + 0 0 62 49,-0.1 2,-0.3 1,-0.1 49,-0.1 0.299 65.2 37.0 105.0 -5.5 8.3 9.1 -38.3 116 111 A A E -G 163 0C 26 47,-0.5 47,-2.5 -80,-0.0 2,-0.3 -0.981 64.3-129.8-162.4 158.2 5.8 9.2 -35.3 117 112 A D E > -G 162 0C 9 -2,-0.3 4,-1.3 45,-0.3 3,-0.5 -0.745 40.7-106.0-105.4 167.0 5.5 9.0 -31.6 118 113 A L H > S+ 0 0 0 43,-2.2 4,-2.9 40,-1.2 5,-0.3 0.843 118.4 64.0 -64.0 -34.9 2.9 6.6 -30.1 119 114 A N H > S+ 0 0 24 39,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.931 104.7 47.5 -47.7 -49.4 0.6 9.4 -29.1 120 115 A N H > S+ 0 0 70 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.786 110.2 52.1 -59.2 -40.2 0.2 10.1 -32.9 121 116 A I H >< S+ 0 0 26 -4,-1.3 3,-0.6 2,-0.2 -2,-0.2 0.948 111.3 45.7 -62.5 -51.8 -0.4 6.5 -33.6 122 117 A V H >< S+ 0 0 27 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.887 106.9 61.0 -62.2 -35.6 -3.2 6.3 -31.0 123 118 A K H 3< S+ 0 0 154 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.800 115.6 30.2 -63.8 -32.3 -4.7 9.5 -32.3 124 119 A C T << S+ 0 0 101 -4,-1.1 2,-0.3 -3,-0.6 -1,-0.2 0.078 118.0 50.8-115.2 33.5 -5.4 8.1 -35.8 125 120 A Q < - 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0 0 5 -5,-3.4 54,-1.3 54,-0.1 55,-0.2 0.973 54.7 -17.5 -89.0 -68.9 8.0 6.9 -1.3 203 198 A M S S- 0 0 52 -6,-0.2 52,-0.1 52,-0.2 3,-0.0 0.067 82.9 -82.7-110.1-140.8 11.0 4.6 -1.1 204 199 A H S S- 0 0 180 1,-0.1 -6,-0.0 -2,-0.1 -3,-0.0 0.217 73.2-153.8-104.5 3.9 14.2 4.5 -3.2 205 200 A Y - 0 0 72 -8,-0.1 2,-0.2 3,-0.0 -1,-0.1 0.317 2.5-119.4 47.8 177.6 11.9 2.5 -5.6 206 201 A N > - 0 0 50 -3,-0.0 3,-1.5 0, 0.0 4,-0.2 -0.715 35.3 -77.9-135.5-164.0 13.1 -0.1 -8.2 207 202 A Q T > S+ 0 0 56 1,-0.3 3,-2.1 -2,-0.2 4,-0.5 0.749 111.4 81.2 -72.7 -21.3 13.1 -0.7 -12.0 208 203 A T T 3> + 0 0 11 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.524 66.5 88.5 -71.3 3.5 9.5 -1.8 -11.9 209 204 A V H <> S+ 0 0 1 -3,-1.5 4,-1.6 1,-0.2 -1,-0.3 0.912 87.8 52.2 -51.7 -40.0 8.6 1.9 -12.0 210 205 A D H <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.848 102.2 58.0 -70.5 -25.4 8.8 1.5 -15.7 211 206 A I H > S+ 0 0 0 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.876 101.4 55.0 -72.3 -35.5 6.4 -1.5 -15.6 212 207 A W H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.944 109.7 49.1 -57.6 -44.7 3.7 0.7 -13.9 213 208 A S H X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.887 108.3 52.4 -64.1 -40.3 4.2 3.0 -16.9 214 209 A V H X S+ 0 0 0 -4,-2.3 4,-3.5 1,-0.2 -1,-0.2 0.918 108.2 50.6 -57.6 -47.7 3.8 0.2 -19.3 215 210 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.876 110.9 49.3 -58.5 -44.1 0.6 -0.9 -17.7 216 211 A C H X S+ 0 0 2 -4,-2.1 4,-1.2 2,-0.2 11,-0.4 0.840 114.3 44.9 -62.8 -39.9 -0.8 2.6 -18.0 217 212 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.930 112.7 49.7 -69.6 -49.2 0.2 2.8 -21.6 218 213 A M H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.837 107.4 55.5 -55.7 -38.7 -1.2 -0.7 -22.4 219 214 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 6,-0.3 0.883 110.1 47.2 -60.2 -41.6 -4.5 0.3 -20.7 220 215 A E H X S+ 0 0 14 -4,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.910 108.4 53.1 -69.4 -43.6 -4.7 3.3 -23.0 221 216 A L H < S+ 0 0 8 -4,-2.4 -94,-0.3 2,-0.2 -2,-0.2 0.930 114.5 44.0 -55.9 -46.0 -3.9 1.3 -26.2 222 217 A L H < S+ 0 0 21 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.968 126.7 26.5 -64.6 -55.8 -6.7 -1.1 -25.3 223 218 A T H < S- 0 0 40 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.774 97.0-126.2 -84.2 -27.8 -9.4 1.3 -24.3 224 219 A G S < S+ 0 0 47 -4,-3.1 2,-0.3 -5,-0.3 -4,-0.1 0.386 78.5 87.8 90.5 0.9 -8.3 4.4 -26.4 225 220 A R S S- 0 0 169 -6,-0.3 -1,-0.3 -5,-0.1 2,-0.3 -0.877 87.3 -90.6-129.1 164.3 -8.3 6.7 -23.3 226 221 A T - 0 0 33 -2,-0.3 -9,-0.1 1,-0.2 -10,-0.0 -0.509 31.2-149.5 -68.7 133.4 -6.0 7.7 -20.5 227 222 A L S S+ 0 0 33 -11,-0.4 -1,-0.2 -2,-0.3 -34,-0.1 0.938 88.3 19.5 -70.6 -49.9 -6.4 5.4 -17.5 228 223 A F + 0 0 4 -36,-0.3 2,-2.3 -12,-0.1 -1,-0.3 -0.663 67.6 173.8-125.1 74.9 -5.6 7.9 -14.8 229 224 A P + 0 0 64 0, 0.0 7,-0.0 0, 0.0 -37,-0.0 -0.294 20.4 180.0 -80.5 61.1 -6.0 11.4 -16.2 230 225 A G - 0 0 0 -2,-2.3 -39,-0.1 1,-0.1 -38,-0.1 -0.214 30.6-143.8 -65.6 155.4 -5.5 13.1 -12.8 231 226 A T S S- 0 0 62 1,-0.2 2,-0.3 -40,-0.0 -1,-0.1 0.559 80.8 -8.1 -89.3 -14.9 -5.6 16.9 -12.5 232 227 A D S > S- 0 0 74 1,-0.0 4,-3.0 -41,-0.0 5,-0.2 -0.916 90.3 -77.0-169.0 178.8 -2.8 17.2 -9.9 233 228 A H H > S+ 0 0 90 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.852 127.6 44.6 -62.0 -43.6 -0.7 14.8 -7.7 234 229 A I H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 113.4 48.5 -70.0 -51.1 -3.4 14.2 -5.2 235 230 A D H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.950 110.0 54.0 -51.9 -49.7 -6.2 13.6 -7.7 236 231 A Q H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.910 108.0 50.5 -51.3 -48.7 -3.9 11.2 -9.7 237 232 A L H X S+ 0 0 7 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.3 0.886 109.8 50.0 -56.1 -43.0 -3.4 9.3 -6.5 238 233 A K H X S+ 0 0 70 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.943 109.5 50.1 -61.9 -47.5 -7.1 9.1 -5.9 239 234 A L H X S+ 0 0 53 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.861 112.4 49.6 -58.5 -35.7 -7.8 7.8 -9.5 240 235 A I H >X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.3 3,-0.7 0.951 111.1 46.1 -68.9 -47.3 -5.1 5.2 -8.9 241 236 A L H 3X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.790 102.4 66.7 -68.1 -26.6 -6.4 3.9 -5.6 242 237 A R H 3< S+ 0 0 160 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.886 115.2 28.8 -63.6 -35.7 -10.0 3.8 -7.0 243 238 A L H << S+ 0 0 7 -4,-1.0 30,-2.4 -3,-0.7 -2,-0.2 0.917 129.5 34.4 -87.0 -50.1 -8.8 1.0 -9.3 244 239 A V H < S- 0 0 22 -4,-2.7 28,-0.3 28,-0.2 -3,-0.2 0.688 109.1-113.7 -90.1 -16.1 -6.0 -0.8 -7.5 245 240 A G < - 0 0 8 -4,-1.8 -3,-0.1 26,-0.3 -1,-0.1 0.275 36.1 -67.9 93.9 141.1 -7.3 -0.4 -3.9 246 241 A T - 0 0 20 24,-2.1 26,-0.1 -5,-0.1 23,-0.0 -0.383 64.5-106.1 -59.8 136.9 -6.1 1.5 -1.0 247 242 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 -0.354 35.1-116.4 -70.2 151.5 -2.9 -0.2 0.3 248 243 A G > - 0 0 43 -3,-0.1 4,-2.2 1,-0.0 5,-0.2 -0.190 31.0 -92.1 -81.8 170.7 -2.8 -2.3 3.4 249 244 A A H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 124.3 52.0 -48.6 -45.7 -1.1 -1.8 6.7 250 245 A E H > S+ 0 0 134 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.918 109.1 47.1 -65.5 -45.1 1.9 -3.9 5.5 251 246 A L H 4 S+ 0 0 25 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.864 111.7 52.8 -63.9 -38.3 2.5 -1.9 2.3 252 247 A L H >< S+ 0 0 13 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.911 103.2 56.1 -60.0 -45.5 2.2 1.4 4.2 253 248 A K H 3< S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.742 99.6 63.8 -60.2 -19.6 4.9 0.2 6.8 254 249 A K T 3< S+ 0 0 91 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.3 0.517 92.2 76.5 -85.1 -9.5 7.1 -0.3 3.7 255 250 A I < - 0 0 5 -3,-2.0 -52,-0.2 -4,-0.2 -53,-0.1 -0.832 65.1-154.0-106.7 147.5 7.1 3.4 2.9 256 251 A S + 0 0 95 -54,-1.3 2,-0.2 -2,-0.3 -53,-0.1 0.391 56.4 113.6-103.4 -0.6 9.2 6.1 4.7 257 252 A S - 0 0 23 -55,-0.2 4,-0.5 1,-0.2 -2,-0.1 -0.481 45.4-167.0 -65.8 139.1 7.0 9.2 4.0 258 253 A E S > S+ 0 0 145 -2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.757 92.7 49.7 -88.2 -36.2 5.3 10.8 7.0 259 254 A S H > S+ 0 0 93 2,-0.2 4,-2.6 3,-0.2 5,-0.1 0.918 111.8 43.8 -68.1 -51.2 3.2 12.8 4.5 260 255 A A H > S+ 0 0 9 2,-0.2 4,-3.2 -60,-0.2 5,-0.3 0.964 113.4 50.4 -64.2 -54.1 2.0 10.0 2.2 261 256 A R H > S+ 0 0 73 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.896 117.2 41.3 -45.7 -51.0 1.2 7.5 5.1 262 257 A N H X S+ 0 0 109 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.843 115.7 50.4 -72.3 -35.4 -0.9 10.2 6.9 263 258 A Y H >X S+ 0 0 97 -4,-2.6 3,-1.2 1,-0.2 4,-0.9 0.980 110.4 47.3 -62.4 -56.4 -2.5 11.4 3.7 264 259 A I H 3< S+ 0 0 2 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.744 106.8 59.6 -61.7 -26.3 -3.6 8.0 2.3 265 260 A Q H 3< S+ 0 0 108 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.766 98.2 55.9 -76.7 -26.7 -5.1 7.1 5.7 266 261 A S H << S+ 0 0 96 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.788 92.0 96.8 -70.6 -27.2 -7.5 10.0 5.8 267 262 A L S < S- 0 0 24 -4,-0.9 3,-0.1 1,-0.1 -21,-0.0 -0.434 90.9-104.5 -69.2 130.3 -8.8 8.7 2.5 268 263 A T - 0 0 114 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.222 47.1-105.9 -48.2 140.5 -11.9 6.5 2.5 269 264 A Q - 0 0 134 -4,-0.1 -1,-0.1 -3,-0.1 -4,-0.0 -0.413 37.8-168.1 -80.1 150.9 -10.8 2.9 2.0 270 265 A M - 0 0 32 -2,-0.1 -24,-2.1 -3,-0.1 2,-0.2 -1.000 14.4-133.7-141.5 141.5 -11.3 1.1 -1.3 271 266 A P - 0 0 105 0, 0.0 -26,-0.3 0, 0.0 2,-0.1 -0.534 43.7 -84.0 -85.6 157.4 -11.1 -2.5 -2.5 272 267 A K - 0 0 110 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.430 50.4-125.2 -58.7 132.0 -9.4 -3.5 -5.6 273 268 A M - 0 0 82 -30,-2.4 2,-0.9 -31,-0.2 -1,-0.1 -0.342 26.7 -97.0 -76.3 159.2 -11.8 -3.2 -8.6 274 269 A N >> - 0 0 95 1,-0.2 3,-1.5 -2,-0.1 4,-0.7 -0.656 31.4-156.0 -78.5 109.7 -12.6 -6.0 -10.9 275 270 A F H 3> S+ 0 0 1 -2,-0.9 4,-2.7 1,-0.3 3,-0.4 0.752 90.5 63.5 -63.9 -27.0 -10.3 -5.3 -13.9 276 271 A A H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.817 101.3 55.1 -64.8 -26.8 -12.5 -7.3 -16.3 277 272 A N H <4 S+ 0 0 123 -3,-1.5 3,-0.2 1,-0.1 -1,-0.2 0.711 113.8 38.0 -73.9 -28.5 -15.1 -4.5 -15.6 278 273 A V H < S+ 0 0 46 -4,-0.7 2,-1.2 -3,-0.4 -2,-0.2 0.871 115.4 51.0 -88.4 -45.0 -12.8 -1.7 -16.6 279 274 A F S >< S- 0 0 4 -4,-2.7 3,-0.9 3,-0.0 -1,-0.2 -0.569 81.5-179.7 -99.1 70.8 -11.0 -3.3 -19.6 280 275 A I T 3 + 0 0 130 -2,-1.2 3,-0.1 -3,-0.2 -3,-0.1 -0.369 60.3 13.5 -80.1 147.7 -14.0 -4.5 -21.6 281 276 A G T 3 S+ 0 0 95 1,-0.2 2,-0.3 -5,-0.1 -1,-0.2 0.707 97.2 129.7 65.1 16.1 -13.8 -6.3 -24.9 282 277 A A S < S- 0 0 24 -3,-0.9 -1,-0.2 -6,-0.2 5,-0.1 -0.735 72.7 -88.8-103.3 152.9 -10.1 -7.0 -24.3 283 278 A N > - 0 0 47 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.359 36.2-133.1 -45.4 126.0 -8.2 -10.2 -24.6 284 279 A P H > S+ 0 0 98 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 108.2 56.4 -57.8 -37.1 -8.4 -11.8 -21.1 285 280 A L H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 27,-0.2 0.911 104.8 55.2 -58.8 -39.2 -4.6 -12.6 -21.1 286 281 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 109.6 46.4 -53.6 -49.1 -4.3 -8.8 -21.7 287 282 A V H X S+ 0 0 14 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.896 109.9 51.5 -61.5 -40.9 -6.3 -8.2 -18.6 288 283 A D H X S+ 0 0 61 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.913 109.1 51.9 -66.7 -40.7 -4.4 -10.7 -16.5 289 284 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.7 0.951 106.3 54.1 -62.6 -44.5 -1.1 -9.0 -17.5 290 285 A L H 3X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.880 103.4 57.2 -53.1 -39.2 -2.5 -5.6 -16.4 291 286 A E H 3< S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.856 108.7 45.5 -62.4 -32.1 -3.3 -7.1 -13.0 292 287 A K H << S+ 0 0 89 -4,-1.3 10,-1.8 -3,-0.7 3,-0.3 0.777 118.7 42.2 -82.4 -23.3 0.4 -8.0 -12.6 293 288 A M H < S+ 0 0 0 -4,-1.7 2,-1.5 1,-0.2 -2,-0.2 0.901 105.9 59.9 -86.5 -46.2 1.6 -4.6 -13.8 294 289 A L S < S+ 0 0 4 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 -0.396 75.3 126.2 -87.8 60.9 -0.8 -2.3 -12.1 295 290 A V - 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