==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-12 4GT3 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR E.POZHARSKI,J.ZHANG,P.SHAPIRO . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 62.4 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 . 43 12.4 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 . 20 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.0 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+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 1 3 0 1 0 1 1 1 1 0 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 . 2 2 2 0 0 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 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 9 A P 0 0 138 0, 0.0 9,-0.1 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 130.3 -12.0 20.6 -7.2 2 10 A E - 0 0 54 7,-0.2 7,-2.2 6,-0.1 2,-0.3 -0.128 360.0-153.6 -56.8 148.8 -13.0 21.5 -3.5 3 11 A M B -A 8 0A 75 5,-0.3 2,-0.3 7,-0.1 5,-0.2 -0.801 3.3-156.8-116.6 162.6 -11.0 24.1 -1.6 4 12 A V - 0 0 17 3,-1.7 3,-0.5 -2,-0.3 15,-0.0 -0.925 62.7 -42.1-147.8 121.4 -10.5 24.4 2.2 5 13 A R S S- 0 0 88 -2,-0.3 2,-0.8 1,-0.2 3,-0.0 0.762 125.9 -27.2 24.7 73.8 -9.5 27.6 4.1 6 14 A G S S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.766 123.8 60.3 104.5 -86.6 -6.9 28.7 1.6 7 15 A Q S S- 0 0 51 -2,-0.8 -3,-1.7 -3,-0.5 0, 0.0 -0.433 86.9 -93.4 -89.7 151.9 -5.3 25.7 -0.3 8 16 A V B -A 3 0A 50 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.3 -0.288 28.6-167.5 -59.7 143.2 -7.0 23.1 -2.6 9 17 A F - 0 0 0 -7,-2.2 2,-0.9 -8,-0.0 -7,-0.2 -0.817 11.0-176.7-137.7 92.1 -8.1 19.9 -1.0 10 18 A D + 0 0 85 -2,-0.3 82,-0.1 1,-0.2 -7,-0.1 -0.676 32.1 125.9-108.2 81.9 -8.9 17.5 -3.9 11 19 A V > + 0 0 4 -2,-0.9 4,-1.5 4,-0.2 -1,-0.2 0.206 45.8 159.5-127.9 8.9 -10.2 14.1 -2.8 12 20 A G T 4 + 0 0 49 1,-0.2 4,-0.1 2,-0.2 2,-0.0 -0.288 38.6 31.0 -67.4 166.8 -13.5 13.7 -4.7 13 21 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 -0.966 125.1 37.9 -86.8 -19.2 -15.7 12.0 -5.8 14 22 A R T 4 S+ 0 0 67 -3,-0.1 21,-3.0 1,-0.1 2,-0.5 0.837 115.7 51.6 -63.7 -36.3 -15.4 9.5 -3.0 15 23 A Y E < S+B 34 0B 5 -4,-1.5 -4,-0.2 19,-0.2 2,-0.2 -0.897 74.4 156.5-113.5 122.8 -14.7 11.9 -0.2 16 24 A T E +B 33 0B 51 17,-2.1 17,-3.1 -2,-0.5 -2,-0.0 -0.688 41.4 42.3-138.7 176.2 -17.2 14.8 0.2 17 25 A N E S- 0 0 74 -2,-0.2 -1,-0.2 15,-0.2 2,-0.1 0.911 78.6-171.2 37.7 71.8 -18.6 17.3 2.6 18 26 A L E - 0 0 48 14,-0.2 2,-0.3 -3,-0.1 14,-0.3 -0.270 16.1-159.8 -91.1 170.4 -15.2 18.0 4.2 19 27 A S E -B 31 0B 65 12,-2.3 12,-3.0 -2,-0.1 -15,-0.1 -0.926 24.1-105.6-159.9 134.0 -14.1 20.1 7.3 20 28 A Y E +B 30 0B 110 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.152 39.2 158.8 -56.8 141.1 -10.9 21.7 8.6 21 29 A I E - 0 0 90 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.525 55.3 -38.7-130.5 -29.5 -9.0 20.0 11.5 22 30 A G E -B 29 0B 19 7,-1.7 7,-3.2 2,-0.0 -1,-0.3 -0.979 45.8-109.7 169.4 169.9 -5.3 21.2 11.5 23 31 A E E -B 28 0B 126 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.407 16.7-168.7-114.0-179.6 -2.1 22.2 9.8 24 32 A G - 0 0 52 3,-0.7 22,-0.0 -2,-0.1 5,-0.0 -0.894 44.5 -95.1-153.8-177.3 1.5 21.0 9.3 25 33 A A S S+ 0 0 91 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.750 125.2 6.0 -73.4 -23.9 4.9 22.3 8.0 26 34 A Y S S+ 0 0 58 19,-0.1 21,-2.8 1,-0.1 2,-0.3 -0.067 131.2 31.3-158.5 31.3 4.0 20.8 4.6 27 35 A G E - C 0 46B 23 19,-0.2 -3,-0.7 21,-0.1 2,-0.3 -0.973 58.6-136.8-167.1-172.1 0.4 19.5 4.8 28 36 A M E -BC 23 45B 15 17,-1.5 17,-2.9 -2,-0.3 2,-0.4 -0.988 13.4-131.8-150.3 155.3 -3.1 19.9 6.4 29 37 A V E +BC 22 44B 38 -7,-3.2 -8,-2.3 -2,-0.3 -7,-1.7 -0.923 25.0 165.6-119.6 129.2 -5.8 17.7 7.9 30 38 A C E -BC 20 43B 0 13,-2.3 13,-2.9 -2,-0.4 2,-0.3 -0.955 31.4-124.6-128.7 156.0 -9.6 17.7 7.2 31 39 A S E -BC 19 42B 11 -12,-3.0 -12,-2.3 -2,-0.3 2,-0.3 -0.699 34.1-179.9 -90.7 159.8 -12.4 15.3 8.0 32 40 A A E - C 0 41B 0 9,-2.4 9,-3.3 -2,-0.3 2,-0.5 -0.969 31.9-105.5-154.6 158.3 -14.5 14.1 5.1 33 41 A Y E -BC 16 40B 67 -17,-3.1 -17,-2.1 -2,-0.3 2,-0.8 -0.822 29.5-140.6 -89.7 127.7 -17.5 11.9 4.4 34 42 A D E >> -BC 15 39B 0 5,-3.1 4,-1.8 -2,-0.5 5,-0.9 -0.815 11.9-166.6 -96.4 111.4 -16.5 8.5 2.8 35 43 A N T 45S+ 0 0 62 -21,-3.0 -1,-0.1 -2,-0.8 -20,-0.1 0.678 84.3 47.2 -74.2 -25.4 -19.1 7.7 0.2 36 44 A L T 45S+ 0 0 124 -22,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.932 124.4 31.2 -76.1 -53.0 -18.2 4.0 -0.3 37 45 A N T 45S- 0 0 95 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.528 98.8-134.0 -86.1 -10.9 -18.0 3.1 3.4 38 46 A K T <5 + 0 0 137 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.853 68.3 105.6 63.4 36.6 -20.7 5.6 4.5 39 47 A V E + 0 0 0 0, 0.0 3,-1.5 0, 0.0 7,-0.5 0.385 33.7 100.4-106.5 3.3 6.7 16.9 0.5 49 57 A F T 3 S+ 0 0 27 40,-0.4 285,-0.1 1,-0.3 284,-0.1 0.690 73.2 59.9 -79.1 -22.4 8.3 16.7 -2.9 50 58 A E T 3 S+ 0 0 78 -3,-0.2 2,-0.5 1,-0.1 -1,-0.3 0.593 104.3 59.0 -66.1 -13.8 10.3 19.9 -3.0 51 59 A H <> - 0 0 107 -3,-1.5 4,-2.2 1,-0.1 3,-0.2 -0.970 65.6-151.5-137.4 119.4 12.3 18.8 0.1 52 60 A Q H > S+ 0 0 50 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.873 100.6 53.0 -53.2 -46.8 14.5 15.7 0.6 53 61 A T H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 110.7 47.5 -60.4 -39.2 13.8 15.6 4.4 54 62 A Y H > S+ 0 0 61 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 109.8 51.8 -69.7 -39.8 10.0 15.7 3.8 55 63 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 -7,-0.5 5,-0.2 0.879 110.0 50.2 -61.9 -44.2 10.2 13.0 1.2 56 64 A Q H X S+ 0 0 30 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.929 112.2 46.3 -55.7 -51.7 12.1 10.8 3.6 57 65 A R H X S+ 0 0 74 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.868 114.8 47.3 -61.5 -42.7 9.6 11.3 6.4 58 66 A T H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.939 113.0 47.3 -67.8 -47.3 6.6 10.7 4.2 59 67 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.931 112.1 51.5 -58.5 -45.1 8.1 7.6 2.7 60 68 A R H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.942 112.3 44.5 -60.5 -47.7 9.0 6.3 6.1 61 69 A E H X S+ 0 0 38 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.931 114.8 47.5 -67.3 -40.4 5.6 6.8 7.5 62 70 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.974 113.0 48.1 -62.8 -45.9 3.8 5.3 4.5 63 71 A K H X S+ 0 0 57 -4,-2.9 4,-1.1 -5,-0.2 -2,-0.2 0.917 116.4 44.1 -63.7 -41.4 6.0 2.2 4.3 64 72 A I H >X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 3,-0.6 0.964 114.5 45.8 -68.7 -47.9 5.7 1.5 8.0 65 73 A L H 3< S+ 0 0 3 -4,-2.7 11,-0.4 1,-0.3 -1,-0.2 0.804 110.2 56.2 -69.0 -29.6 1.9 2.1 8.4 66 74 A L H 3< S+ 0 0 31 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.794 112.6 40.6 -74.4 -27.2 1.2 0.0 5.3 67 75 A R H << S+ 0 0 90 -4,-1.1 -2,-0.2 -3,-0.6 2,-0.2 0.802 101.7 80.6 -94.8 -16.3 2.9 -2.9 6.7 68 76 A F < - 0 0 15 -4,-2.0 2,-0.3 -5,-0.1 62,-0.0 -0.553 51.5-178.9 -81.8 143.2 1.7 -2.7 10.3 69 77 A R + 0 0 227 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.832 26.7 130.6-140.6 100.0 -1.7 -4.0 11.1 70 78 A H > - 0 0 19 3,-0.4 3,-1.7 -2,-0.3 56,-0.0 -0.982 60.6-122.0-152.1 144.8 -2.7 -3.5 14.8 71 79 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.702 111.7 47.5 -52.9 -29.6 -5.7 -2.1 16.8 72 80 A N T 3 S+ 0 0 5 82,-0.1 83,-2.9 53,-0.1 2,-0.4 0.087 100.2 73.6-107.8 25.6 -3.5 0.5 18.6 73 81 A I B < S-f 155 0C 5 -3,-1.7 -3,-0.4 81,-0.3 83,-0.2 -0.998 90.1-110.0-136.6 134.0 -1.7 1.8 15.6 74 82 A I - 0 0 1 81,-2.7 2,-0.2 -2,-0.4 -6,-0.1 -0.323 35.7-148.2 -65.3 136.3 -3.4 4.1 13.0 75 83 A G - 0 0 26 -4,-0.1 2,-0.6 -6,-0.1 21,-0.4 -0.635 13.3-120.8 -99.8 164.4 -4.0 2.3 9.7 76 84 A I - 0 0 22 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.929 25.9-178.1-100.5 120.6 -4.0 3.8 6.2 77 85 A N - 0 0 61 17,-3.0 2,-0.3 -2,-0.6 18,-0.2 0.772 66.9 -11.7 -84.0 -35.6 -7.4 3.1 4.6 78 86 A D E -E 94 0B 20 16,-1.3 16,-2.7 2,-0.0 2,-0.4 -0.975 53.9-146.1-159.6 159.4 -6.7 4.7 1.3 79 87 A I E -E 93 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.978 14.3-160.4-139.2 125.7 -4.1 7.0 -0.5 80 88 A I E +E 92 0B 37 12,-2.4 12,-2.7 -2,-0.4 2,-0.3 -0.910 28.3 137.3-106.9 126.1 -5.1 9.4 -3.2 81 89 A R - 0 0 19 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.966 56.3 -73.2-156.5 170.4 -2.6 10.8 -5.7 82 90 A A - 0 0 24 8,-0.5 6,-0.1 -2,-0.3 263,-0.0 -0.168 43.8-116.5 -61.2 157.8 -2.3 11.5 -9.4 83 91 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.643 94.2 47.4 -77.1 -9.2 -1.9 8.5 -11.8 84 92 A T S > S- 0 0 46 1,-0.1 4,-0.9 0, 0.0 3,-0.2 -0.938 79.8-124.2-132.7 153.0 1.5 9.5 -13.0 85 93 A I T >4 S+ 0 0 49 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.894 111.5 56.0 -58.3 -38.9 4.7 10.6 -11.3 86 94 A E T 34 S+ 0 0 143 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.838 111.9 41.4 -60.7 -37.7 4.8 13.8 -13.4 87 95 A Q T 34 S+ 0 0 120 -3,-0.2 2,-0.8 2,-0.0 -1,-0.2 0.539 89.5 104.0 -92.6 -5.6 1.3 14.9 -12.3 88 96 A M << + 0 0 1 -4,-0.9 3,-0.1 -3,-0.7 250,-0.1 -0.693 27.6 143.4 -81.2 114.3 1.8 13.9 -8.6 89 97 A K + 0 0 131 -2,-0.8 -40,-0.4 1,-0.3 2,-0.3 0.603 69.2 23.6-116.3 -27.8 2.3 17.1 -6.5 90 98 A D - 0 0 48 -43,-0.1 -8,-0.5 -42,-0.1 2,-0.4 -0.926 64.3-150.8-135.4 158.8 0.4 16.1 -3.3 91 99 A V E -D 46 0B 0 -45,-2.5 -45,-3.7 -2,-0.3 2,-0.5 -0.993 9.3-150.6-133.8 142.3 -0.6 12.8 -1.7 92 100 A Y E -DE 45 80B 12 -12,-2.7 -12,-2.4 -2,-0.4 2,-0.5 -0.956 5.1-158.4-114.8 126.6 -3.6 12.4 0.5 93 101 A I E -DE 44 79B 7 -49,-2.9 -49,-3.0 -2,-0.5 2,-0.5 -0.893 6.9-155.1-107.3 123.9 -3.6 9.8 3.2 94 102 A V E +DE 43 78B 0 -16,-2.7 -17,-3.0 -2,-0.5 -16,-1.3 -0.863 22.5 164.0-101.4 131.4 -7.1 8.6 4.4 95 103 A Q E -D 42 0B 21 -53,-2.8 -53,-2.8 -2,-0.5 -19,-0.1 -0.884 46.9 -73.7-137.3 165.2 -7.3 7.2 7.9 96 104 A D E -D 41 0B 67 -21,-0.4 2,-0.6 -2,-0.3 -55,-0.2 -0.309 56.7-109.4 -54.0 143.4 -10.0 6.4 10.5 97 105 A L - 0 0 64 -57,-0.6 2,-0.3 -65,-0.1 -1,-0.1 -0.663 34.3-159.3 -79.6 120.2 -11.4 9.7 12.0 98 106 A M - 0 0 22 -2,-0.6 50,-0.3 1,-0.1 3,-0.1 -0.777 17.0-135.6-100.6 146.4 -10.3 10.0 15.6 99 107 A E S S- 0 0 105 48,-0.7 2,-0.2 -2,-0.3 49,-0.2 0.909 74.5 -32.9 -64.1 -37.4 -12.2 12.2 18.0 100 108 A T E -G 147 0C 35 47,-2.2 47,-2.6 -3,-0.1 2,-0.3 -0.796 58.7-106.2-166.6 175.7 -9.2 13.8 19.6 101 109 A D E > -G 146 0C 35 45,-0.3 4,-2.4 -2,-0.2 45,-0.2 -0.897 35.0-109.4-122.4 170.2 -5.5 13.3 20.6 102 110 A L H > S+ 0 0 0 43,-2.1 4,-2.3 40,-1.2 41,-0.2 0.823 116.8 58.0 -71.7 -30.6 -4.1 12.8 24.1 103 111 A Y H > S+ 0 0 113 39,-0.9 4,-1.2 42,-0.2 -1,-0.2 0.957 111.5 40.8 -59.7 -55.5 -2.5 16.3 24.0 104 112 A K H > S+ 0 0 44 2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.896 113.6 53.6 -60.1 -42.3 -5.8 18.0 23.4 105 113 A L H >X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 3,-1.5 0.961 108.5 50.5 -60.6 -40.4 -7.7 15.8 25.9 106 114 A L H 3< S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.722 96.1 67.9 -78.1 -15.9 -5.1 16.7 28.7 107 115 A K H 3< S+ 0 0 135 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.733 123.7 11.3 -68.5 -22.4 -5.4 20.5 28.1 108 116 A T H << S+ 0 0 108 -3,-1.5 2,-0.4 -4,-0.6 -2,-0.2 0.579 113.6 68.5-132.5 -13.5 -8.9 20.2 29.5 109 117 A Q < - 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0 0 38 20,-1.5 76,-0.1 -2,-0.2 3,-0.1 -0.812 42.5 -74.6-147.1 176.6 27.7 8.9 20.1 172 180 A G > - 0 0 26 -2,-0.2 3,-0.8 1,-0.1 2,-0.2 -0.064 58.9 -73.6 -76.4 178.7 29.3 11.9 21.6 173 181 A F T 3 S+ 0 0 45 1,-0.2 17,-0.2 18,-0.1 -1,-0.1 -0.511 110.5 3.9 -80.8 135.1 28.1 14.3 24.3 174 182 A L T 3 S+ 0 0 64 15,-2.2 2,-0.3 -2,-0.2 -1,-0.2 0.877 82.8 171.7 60.6 39.5 25.3 16.9 23.3 175 183 A T < - 0 0 61 -3,-0.8 -1,-0.2 13,-0.4 17,-0.1 -0.701 40.3 -94.1 -88.1 143.3 24.9 15.6 19.7 176 184 A E - 0 0 97 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.095 46.0-168.6 -62.9 154.9 22.0 17.1 17.8 177 185 A Y - 0 0 42 1,-0.1 -1,-0.1 -3,-0.1 4,-0.1 -0.972 24.8-151.4-149.5 164.3 18.7 15.4 17.7 178 186 A V + 0 0 95 -2,-0.3 3,-0.1 -18,-0.1 -1,-0.1 0.837 62.0 88.3-105.5 -44.0 15.3 15.5 16.0 179 187 A A S S- 0 0 4 1,-0.2 2,-0.2 -19,-0.1 -40,-0.1 0.012 90.7 -67.1 -70.0 169.3 12.5 14.2 18.3 180 188 A T > - 0 0 43 1,-0.1 3,-2.3 3,-0.1 4,-0.2 -0.353 44.0-139.8 -70.7 123.5 10.4 16.2 20.8 181 189 A R G > S+ 0 0 83 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.776 93.1 56.3 -56.4 -48.0 12.5 17.5 23.7 182 190 A W G 3 S+ 0 0 91 1,-0.3 -1,-0.3 38,-0.1 36,-0.3 0.753 112.7 44.0 -62.0 -17.5 10.2 17.0 26.7 183 191 A Y G < S+ 0 0 14 -3,-2.3 2,-0.3 2,-0.1 -1,-0.3 0.252 86.4 119.3-110.6 10.9 9.9 13.3 25.9 184 192 A R < - 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0 0 36 0, 0.0 -9,-0.1 0, 0.0 -33,-0.0 -0.403 27.4-145.9 -63.8 140.9 4.7 17.6 31.4 217 225 A I S S+ 0 0 18 -11,-0.4 -10,-0.0 1,-0.2 -11,-0.0 0.907 91.8 29.6 -76.5 -40.7 7.0 16.1 34.0 218 226 A F S S+ 0 0 1 -36,-0.3 2,-2.1 -12,-0.1 -1,-0.2 -0.638 70.0 171.1-117.2 65.9 10.2 17.3 32.4 219 227 A P - 0 0 50 0, 0.0 -37,-0.1 0, 0.0 7,-0.0 -0.408 14.9-179.2 -83.8 67.7 9.4 20.5 30.5 220 228 A G - 0 0 0 -2,-2.1 -38,-0.1 1,-0.1 6,-0.1 -0.286 26.5-147.1 -55.2 143.6 12.9 21.5 29.6 221 229 A K S S- 0 0 71 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.573 75.4 -8.9 -92.4 -12.9 13.3 24.8 27.7 222 230 A H S >> S- 0 0 104 1,-0.1 4,-2.0 -41,-0.0 3,-0.7 -0.978 94.0 -56.6-175.1-176.2 16.3 23.5 25.8 223 231 A Y H 3> S+ 0 0 52 -2,-0.3 4,-0.6 1,-0.3 3,-0.3 0.772 122.5 20.8 -57.0 -59.5 18.8 20.9 25.4 224 232 A L H 3> S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.479 115.7 68.0 -82.2 -13.0 20.8 20.5 28.9 225 233 A D H <> S+ 0 0 36 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.826 92.6 59.9 -67.5 -37.0 18.0 22.1 30.8 226 234 A Q H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.932 107.3 46.4 -55.0 -45.1 15.9 18.9 29.9 227 235 A L H X S+ 0 0 0 -4,-0.6 4,-3.0 1,-0.2 5,-0.2 0.905 108.5 53.3 -70.9 -41.6 18.7 16.8 31.8 228 236 A N H X S+ 0 0 66 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.888 109.1 51.3 -49.0 -46.9 18.7 19.2 34.8 229 237 A H H X S+ 0 0 56 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.926 112.2 46.6 -60.0 -46.5 14.9 18.6 35.0 230 238 A I H >X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 3,-1.0 0.931 114.3 44.5 -61.4 -52.2 15.4 14.9 34.9 231 239 A L H 3X S+ 0 0 8 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.805 103.9 66.4 -67.4 -21.4 18.2 14.8 37.5 232 240 A G H 3< S+ 0 0 35 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.720 116.0 27.3 -71.1 -24.6 16.2 17.2 39.7 233 241 A I H << S+ 0 0 25 -3,-1.0 30,-2.7 -4,-0.7 -2,-0.2 0.789 126.9 40.5-104.5 -50.7 13.6 14.5 40.2 234 242 A L H < S- 0 0 19 -4,-2.9 28,-0.3 28,-0.2 -3,-0.2 0.730 103.9-132.1 -72.4 -21.5 15.4 11.2 39.7 235 243 A G < - 0 0 5 -4,-2.0 26,-0.2 26,-0.3 -1,-0.2 -0.126 44.5 -35.7 87.1 168.7 18.5 12.3 41.7 236 244 A S S S- 0 0 46 24,-2.7 26,-0.1 1,-0.1 2,-0.1 -0.315 74.0-103.9 -59.6 139.2 22.1 12.0 40.8 237 245 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.394 38.6-108.4 -70.1 149.7 23.0 8.8 38.9 238 246 A S > - 0 0 52 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.146 26.7-106.6 -70.2 166.1 24.7 6.1 40.8 239 247 A Q H > S+ 0 0 155 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.939 122.0 55.0 -61.9 -41.8 28.3 5.2 40.3 240 248 A E H > S+ 0 0 117 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.895 109.0 47.4 -58.7 -44.6 27.1 2.0 38.6 241 249 A D H 4 S+ 0 0 18 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.877 113.1 47.3 -64.2 -40.0 25.0 4.0 36.1 242 250 A L H >< S+ 0 0 20 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.871 104.2 61.3 -65.9 -37.7 27.9 6.5 35.4 243 251 A N H 3< S+ 0 0 97 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.716 97.8 60.6 -57.2 -26.0 30.3 3.5 34.9 244 252 A C T 3< S+ 0 0 64 -4,-0.7 2,-0.8 -3,-0.4 -1,-0.3 0.626 91.3 74.9 -72.2 -18.2 28.0 2.5 32.1 245 253 A I < + 0 0 9 -3,-1.7 -1,-0.1 -4,-0.3 6,-0.0 -0.864 57.0 173.1 -96.4 101.3 28.8 5.9 30.3 246 254 A I + 0 0 133 -2,-0.8 2,-0.3 -55,-0.1 -1,-0.2 0.830 46.0 102.2 -80.2 -31.0 32.3 5.5 28.9 247 255 A N > - 0 0 44 1,-0.2 4,-2.6 -76,-0.1 3,-0.2 -0.380 65.1-149.8 -63.9 120.4 32.4 8.8 27.0 248 256 A L H > S+ 0 0 115 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.783 90.0 56.6 -63.9 -36.6 34.4 11.1 29.1 249 257 A K H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.955 112.9 39.8 -65.2 -44.8 32.8 14.3 28.1 250 258 A A H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 117.4 50.6 -68.2 -43.2 29.3 13.1 29.2 251 259 A R H X S+ 0 0 61 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.948 112.1 46.9 -56.5 -49.4 30.6 11.3 32.4 252 260 A N H X S+ 0 0 83 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.821 107.2 56.3 -67.2 -35.2 32.5 14.3 33.5 253 261 A Y H >X S+ 0 0 47 -4,-1.8 3,-0.6 -5,-0.2 4,-0.6 0.962 109.9 45.2 -58.7 -47.7 29.6 16.6 32.9 254 262 A L H >< S+ 0 0 13 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.886 111.7 52.8 -61.3 -44.2 27.4 14.5 35.2 255 263 A L H 3< S+ 0 0 101 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.779 101.8 61.6 -60.8 -25.9 30.3 14.4 37.8 256 264 A S H << S+ 0 0 88 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.679 87.6 93.4 -72.8 -16.7 30.5 18.3 37.6 257 265 A L S << S- 0 0 48 -3,-1.1 3,-0.1 -4,-0.6 -3,-0.0 -0.454 86.0-106.4 -84.6 148.5 26.9 18.6 38.9 258 266 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.307 48.8 -89.9 -64.2 149.0 26.1 19.0 42.6 259 267 A H - 0 0 136 -4,-0.1 2,-0.4 -23,-0.1 -4,-0.0 -0.432 47.4-168.7 -61.6 141.3 24.7 16.0 44.2 260 268 A K - 0 0 68 -3,-0.1 -24,-2.7 -2,-0.1 2,-0.2 -0.999 12.7-137.5-133.4 132.2 20.8 15.8 44.1 261 269 A N - 0 0 121 -2,-0.4 -26,-0.3 -26,-0.2 2,-0.0 -0.603 33.4 -91.8 -85.5 156.3 18.5 13.4 45.9 262 270 A K - 0 0 95 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.325 29.0-139.1 -59.4 133.9 15.5 11.6 44.4 263 271 A V - 0 0 49 -30,-2.7 5,-0.1 -28,-0.0 -1,-0.1 -0.925 33.5-116.8 -91.0 120.1 12.1 13.4 44.8 264 272 A P >> - 0 0 64 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.334 11.8-130.1 -63.7 143.6 9.7 10.5 45.7 265 273 A W H 3> S+ 0 0 15 1,-0.3 4,-3.0 2,-0.2 7,-0.1 0.832 108.1 60.7 -63.4 -28.7 7.0 10.0 43.0 266 274 A N H 34 S+ 0 0 103 2,-0.2 -1,-0.3 1,-0.2 6,-0.1 0.747 101.5 53.9 -71.9 -20.9 4.3 10.0 45.8 267 275 A R H <4 S+ 0 0 61 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.892 115.2 40.7 -72.4 -38.1 5.4 13.6 46.7 268 276 A L H < S+ 0 0 66 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.864 128.6 29.1 -76.1 -39.5 4.9 14.6 43.1 269 277 A F >< + 0 0 17 -4,-3.0 3,-1.2 -5,-0.2 -1,-0.2 -0.665 64.7 166.0-126.9 74.8 1.7 12.6 42.5 270 278 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.740 79.2 48.0 -69.6 -18.4 -0.1 12.3 45.8 271 279 A N T 3 S+ 0 0 164 -59,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.550 89.2 113.2 -89.2 -9.9 -3.5 11.2 44.2 272 280 A A S < S- 0 0 24 -3,-1.2 2,-0.1 -7,-0.1 -3,-0.1 -0.340 77.0-103.7 -67.6 148.4 -1.8 8.5 42.0 273 281 A D >> - 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