==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-MAR-11 3QYZ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.GELIN,S.POCHET,F.HOH,M.PIROCHI,J.-F.GUICHOU,J.-L.FERRER,G. . 340 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 61.2 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 12.6 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 . 13 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.8 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 1 1 1 1 0 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 0 108 0, 0.0 9,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 151.7 -20.5 20.3 21.2 2 10 A E - 0 0 86 7,-0.4 7,-2.5 6,-0.1 2,-0.3 -0.358 360.0-141.1 -67.7 151.0 -22.3 21.0 24.5 3 11 A M B -A 8 0A 115 5,-0.2 2,-0.4 7,-0.1 5,-0.2 -0.873 15.9-169.5-119.9 149.2 -20.6 23.7 26.6 4 12 A V 0 0 12 3,-2.2 15,-0.1 -2,-0.3 26,-0.0 -0.982 360.0 360.0-141.6 129.4 -20.0 24.1 30.3 5 13 A R 0 0 199 -2,-0.4 -1,-0.1 15,-0.0 3,-0.0 0.918 360.0 360.0 43.8 360.0 -18.8 27.1 32.4 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 15 A Q 0 0 91 0, 0.0 -3,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 122.8 -15.2 25.5 27.6 8 16 A V B -A 3 0A 49 -5,-0.2 2,-0.3 1,-0.1 -5,-0.2 -0.465 360.0-178.3 -68.0 129.6 -16.0 22.6 25.3 9 17 A F - 0 0 0 -7,-2.5 2,-1.5 -2,-0.2 -7,-0.4 -0.717 10.7-175.7-125.6 81.9 -17.5 19.5 26.9 10 18 A D + 0 0 87 -2,-0.3 82,-0.1 1,-0.2 80,-0.1 -0.526 35.0 121.3 -90.6 80.5 -17.8 17.2 23.9 11 19 A V > + 0 0 5 -2,-1.5 4,-1.1 4,-0.2 3,-0.2 0.344 47.8 170.4-126.1 4.5 -19.5 14.0 25.1 12 20 A G T 4 + 0 0 52 1,-0.2 4,-0.1 2,-0.2 -2,-0.0 -0.287 39.1 12.2 -87.6 170.6 -22.7 13.5 23.1 13 21 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 -0.999 123.5 47.9 -86.2 -4.4 -25.0 12.1 22.2 14 22 A R T 4 S+ 0 0 77 -3,-0.2 21,-2.9 1,-0.1 2,-0.5 0.859 114.0 47.3 -61.0 -35.7 -24.7 9.4 24.9 15 23 A Y E < S+B 34 0B 3 -4,-1.1 2,-0.2 19,-0.2 19,-0.2 -0.920 71.3 150.5-118.1 126.6 -24.2 11.9 27.8 16 24 A T E +B 33 0B 34 17,-2.0 17,-3.7 -2,-0.5 -2,-0.0 -0.786 39.7 56.8-142.6 179.9 -26.3 14.9 28.3 17 25 A N E S- 0 0 103 -2,-0.2 -1,-0.2 15,-0.2 2,-0.2 0.967 73.3-160.7 54.5 59.7 -27.8 17.3 30.9 18 26 A L E - 0 0 25 14,-0.2 2,-0.4 -3,-0.1 14,-0.2 -0.450 15.8-166.9 -79.7 142.8 -24.3 18.3 32.2 19 27 A S E -B 31 0B 61 12,-2.7 12,-3.3 -2,-0.2 -15,-0.1 -0.971 24.8-120.0-130.4 119.1 -23.7 19.9 35.6 20 28 A Y E +B 30 0B 73 -2,-0.4 10,-0.3 10,-0.3 3,-0.1 -0.218 35.1 167.4 -50.4 135.4 -20.3 21.5 36.6 21 29 A I E - 0 0 72 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.672 55.2 -39.9-118.3 -45.2 -18.7 19.9 39.6 22 30 A G E -B 29 0B 21 7,-1.9 7,-3.2 2,-0.0 -1,-0.4 -0.980 49.5-126.9-174.3 175.0 -15.1 21.1 39.8 23 31 A E E -B 28 0B 122 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.824 12.1-169.9-137.3 172.4 -11.9 22.1 37.9 24 32 A G - 0 0 45 3,-2.2 3,-0.4 -2,-0.3 -2,-0.0 -0.790 47.1 -79.2-147.1-170.3 -8.2 21.5 37.7 25 33 A A S S+ 0 0 91 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.739 126.8 7.8 -73.5 -24.9 -5.0 22.8 36.0 26 34 A Y S S+ 0 0 59 19,-0.1 21,-2.9 28,-0.0 2,-0.3 -0.092 127.7 35.6-149.3 41.8 -5.8 21.0 32.7 27 35 A G E - C 0 46B 17 -3,-0.4 -3,-2.2 19,-0.2 2,-0.3 -0.985 57.4-134.4-175.4 176.9 -9.3 19.6 33.1 28 36 A M E -BC 23 45B 3 17,-1.4 17,-3.2 -2,-0.3 2,-0.5 -0.995 13.6-141.2-148.3 139.8 -12.9 20.0 34.4 29 37 A V E +BC 22 44B 42 -7,-3.2 -8,-2.9 -2,-0.3 -7,-1.9 -0.900 25.7 167.2-108.8 131.0 -15.3 17.6 36.1 30 38 A C E -BC 20 43B 0 13,-2.6 13,-3.0 -2,-0.5 2,-0.3 -0.915 32.0-124.2-130.9 158.9 -19.0 17.5 35.4 31 39 A S E +BC 19 42B 13 -12,-3.3 -12,-2.7 -2,-0.3 2,-0.3 -0.763 36.0 177.2 -96.3 154.6 -22.0 15.3 36.2 32 40 A A E - C 0 41B 0 9,-2.3 9,-3.5 -2,-0.3 2,-0.6 -0.989 33.3-106.7-155.5 153.7 -24.0 14.0 33.2 33 41 A Y E -BC 16 40B 63 -17,-3.7 -17,-2.0 -2,-0.3 2,-0.9 -0.792 26.8-142.8 -89.2 121.7 -26.9 11.8 32.4 34 42 A D E >> -BC 15 39B 4 5,-2.9 4,-1.5 -2,-0.6 5,-0.9 -0.744 11.0-165.0 -83.4 103.9 -25.9 8.5 30.8 35 43 A N T 45S+ 0 0 60 -21,-2.9 -1,-0.2 -2,-0.9 -20,-0.1 0.687 85.1 49.4 -66.4 -20.8 -28.6 7.9 28.2 36 44 A L T 45S+ 0 0 114 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.908 121.7 30.6 -82.3 -47.0 -27.7 4.2 27.7 37 45 A N T 45S- 0 0 100 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.439 99.2-132.4 -93.2 -0.9 -27.6 3.2 31.4 38 46 A K T <5 + 0 0 138 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.850 70.0 104.6 52.1 40.9 -30.2 5.7 32.5 39 47 A V E + 0 0 0 0, 0.0 3,-1.4 0, 0.0 7,-0.5 0.458 34.8 99.7-102.1 -1.9 -2.9 17.0 28.7 49 57 A F T 3 S+ 0 0 19 40,-0.4 281,-0.1 1,-0.3 41,-0.1 0.633 73.9 61.1 -74.8 -16.0 -1.4 17.0 25.3 50 58 A E T 3 S+ 0 0 155 -3,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.715 104.9 53.9 -78.2 -20.1 0.5 20.3 25.4 51 59 A H <> - 0 0 103 -3,-1.4 4,-2.2 1,-0.1 5,-0.2 -0.959 67.4-148.1-128.5 130.0 2.7 19.1 28.3 52 60 A Q H > S+ 0 0 73 -2,-0.4 4,-2.5 1,-0.2 -1,-0.1 0.913 100.8 50.6 -57.2 -49.4 4.8 16.0 28.7 53 61 A T H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 109.9 51.2 -59.9 -39.5 4.3 15.6 32.5 54 62 A Y H > S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 109.0 50.8 -63.0 -42.3 0.5 15.9 32.0 55 63 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 -7,-0.5 -2,-0.2 0.905 108.8 53.2 -62.6 -41.7 0.6 13.2 29.4 56 64 A Q H X S+ 0 0 62 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.946 111.3 43.8 -54.5 -54.1 2.6 11.0 31.8 57 65 A R H X S+ 0 0 97 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.893 113.4 51.7 -65.5 -37.6 0.1 11.3 34.6 58 66 A T H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.922 110.5 48.3 -64.0 -43.5 -2.9 10.8 32.2 59 67 A L H X S+ 0 0 20 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.936 111.4 50.3 -63.2 -45.3 -1.3 7.6 30.8 60 68 A R H X S+ 0 0 50 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.923 111.3 48.5 -56.9 -48.7 -0.6 6.3 34.3 61 69 A E H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.946 116.1 42.7 -57.4 -50.5 -4.2 6.9 35.5 62 70 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.951 115.0 48.6 -65.8 -48.8 -5.7 5.3 32.4 63 71 A K H X S+ 0 0 88 -4,-3.0 4,-0.9 -5,-0.2 -1,-0.2 0.914 117.2 41.5 -56.6 -47.3 -3.3 2.3 32.3 64 72 A I H >X S+ 0 0 12 -4,-2.5 4,-2.1 -5,-0.3 3,-0.6 0.956 115.3 47.0 -69.7 -50.4 -3.8 1.5 36.0 65 73 A L H 3< S+ 0 0 4 -4,-2.5 11,-0.4 -5,-0.3 -2,-0.2 0.838 109.7 54.2 -66.7 -32.3 -7.5 2.0 36.4 66 74 A L H 3< S+ 0 0 25 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.801 113.5 43.5 -68.0 -27.5 -8.3 -0.0 33.3 67 75 A R H << S+ 0 0 121 -4,-0.9 -2,-0.2 -3,-0.6 2,-0.2 0.798 102.5 77.6 -88.6 -28.9 -6.3 -2.9 34.7 68 76 A F < - 0 0 17 -4,-2.1 2,-0.3 -5,-0.1 62,-0.0 -0.531 51.6-178.8 -81.3 146.2 -7.7 -2.8 38.3 69 77 A R + 0 0 223 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.840 27.0 132.0-144.6 106.1 -11.1 -4.1 39.3 70 78 A H > - 0 0 18 3,-0.4 3,-1.8 -2,-0.3 56,-0.0 -0.985 59.3-123.2-158.8 141.5 -12.0 -3.6 42.9 71 79 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.758 112.4 47.4 -60.1 -27.7 -14.9 -2.3 44.9 72 80 A N T 3 S+ 0 0 6 82,-0.1 83,-2.7 2,-0.1 2,-0.4 0.103 100.6 76.3-105.2 22.3 -12.8 0.3 46.7 73 81 A I B < S-f 155 0C 6 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -1.000 89.0-110.8-131.6 129.9 -11.1 1.7 43.6 74 82 A I - 0 0 2 81,-2.7 2,-0.2 -2,-0.4 -6,-0.1 -0.305 35.8-140.7 -61.5 136.4 -12.8 4.0 41.2 75 83 A G - 0 0 26 -4,-0.1 2,-0.6 -6,-0.1 21,-0.3 -0.588 8.6-126.0 -92.8 160.2 -13.5 2.3 37.9 76 84 A I + 0 0 21 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.948 27.1 178.6 -99.3 118.2 -13.3 3.7 34.4 77 85 A N - 0 0 71 17,-2.6 2,-0.3 -2,-0.6 18,-0.2 0.735 64.3 -13.5 -89.2 -26.1 -16.7 3.1 32.7 78 86 A D E -E 94 0B 20 16,-1.1 16,-2.6 2,-0.0 2,-0.4 -0.967 54.6-143.2-168.4 155.3 -16.0 4.7 29.4 79 87 A I E -E 93 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.988 15.6-159.7-134.3 129.5 -13.6 7.0 27.7 80 88 A I E +E 92 0B 30 12,-2.6 12,-2.6 -2,-0.4 2,-0.3 -0.898 28.0 132.4-111.5 133.7 -14.6 9.5 25.1 81 89 A R - 0 0 18 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.965 57.3 -68.7-166.6 167.5 -12.3 11.1 22.6 82 90 A A - 0 0 25 8,-0.5 6,-0.1 -2,-0.3 4,-0.0 -0.176 46.0-114.9 -61.5 157.7 -12.1 11.9 18.9 83 91 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.647 94.8 42.4 -72.4 -13.2 -11.7 9.0 16.4 84 92 A T S > S- 0 0 47 1,-0.1 4,-0.8 0, 0.0 3,-0.3 -0.932 79.7-121.7-134.3 154.7 -8.2 10.0 15.2 85 93 A I T >4 S+ 0 0 60 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.913 113.0 56.9 -58.8 -43.7 -5.0 11.2 16.9 86 94 A E T 34 S+ 0 0 155 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.851 112.4 40.1 -53.3 -41.7 -5.1 14.4 14.7 87 95 A Q T 34 S+ 0 0 127 -3,-0.3 2,-0.8 2,-0.0 -1,-0.3 0.526 90.5 105.6 -90.8 -6.6 -8.6 15.3 16.0 88 96 A M << + 0 0 1 -3,-0.9 3,-0.1 -4,-0.8 246,-0.1 -0.659 26.1 145.2 -82.1 109.2 -7.9 14.3 19.6 89 97 A K + 0 0 63 -2,-0.8 -40,-0.4 1,-0.3 2,-0.3 0.584 68.1 21.9-113.2 -21.0 -7.5 17.4 21.8 90 98 A D - 0 0 36 -43,-0.1 -8,-0.5 -42,-0.1 2,-0.4 -0.944 61.5-146.4-143.3 160.9 -9.1 16.2 25.0 91 99 A V E -D 46 0B 0 -45,-2.5 -45,-3.0 -2,-0.3 2,-0.5 -0.997 10.6-154.9-130.5 136.5 -10.0 12.9 26.7 92 100 A Y E -DE 45 80B 6 -12,-2.6 -12,-2.6 -2,-0.4 2,-0.6 -0.962 3.4-158.3-115.7 123.8 -13.0 12.4 28.9 93 101 A I E -DE 44 79B 0 -49,-2.3 -49,-2.7 -2,-0.5 2,-0.4 -0.891 9.4-154.0-100.7 121.2 -13.0 9.7 31.6 94 102 A V E +DE 43 78B 0 -16,-2.6 -17,-2.6 -2,-0.6 -16,-1.1 -0.821 23.0 165.7 -98.1 132.4 -16.4 8.6 32.6 95 103 A Q E -D 42 0B 9 -53,-2.6 -53,-2.7 -2,-0.4 -19,-0.1 -0.905 45.4 -71.2-136.8 165.1 -16.8 7.2 36.1 96 104 A D E -D 41 0B 69 -21,-0.3 2,-0.6 -2,-0.3 -55,-0.1 -0.320 58.5-109.7 -50.8 138.2 -19.4 6.3 38.7 97 105 A L - 0 0 67 -57,-0.6 2,-0.5 -65,-0.1 -1,-0.1 -0.679 36.1-162.7 -78.4 120.0 -21.0 9.4 40.1 98 106 A M - 0 0 24 -2,-0.6 50,-0.3 50,-0.1 55,-0.0 -0.911 18.2-138.1-110.1 132.3 -19.9 9.9 43.7 99 107 A E S S- 0 0 111 -2,-0.5 2,-0.2 47,-0.1 49,-0.2 0.829 73.8 -30.5 -55.6 -39.9 -21.7 12.3 46.1 100 108 A T E -G 147 0C 21 47,-2.6 47,-2.8 4,-0.0 2,-0.3 -0.840 58.5-111.4-159.7-173.0 -18.6 13.8 47.7 101 109 A D E > -G 146 0C 22 45,-0.3 4,-2.6 -2,-0.2 45,-0.2 -0.909 35.8-104.7-134.7 168.6 -15.0 13.1 48.8 102 110 A L H > S+ 0 0 0 43,-2.3 4,-2.5 40,-1.1 41,-0.2 0.817 118.4 56.4 -67.8 -28.9 -13.4 12.8 52.2 103 111 A Y H > S+ 0 0 103 39,-0.8 4,-1.1 42,-0.2 -1,-0.2 0.960 112.2 41.1 -63.0 -51.2 -11.9 16.3 51.9 104 112 A K H > S+ 0 0 88 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.901 115.3 52.0 -62.4 -43.0 -15.2 18.0 51.3 105 113 A L H >X S+ 0 0 19 -4,-2.6 4,-2.5 1,-0.2 3,-1.2 0.931 107.2 51.5 -62.4 -44.3 -16.9 15.8 53.9 106 114 A L H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 95.9 71.8 -70.1 -19.6 -14.4 16.6 56.6 107 115 A K H 3< S+ 0 0 138 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.827 123.4 2.9 -61.1 -33.5 -14.8 20.3 56.0 108 116 A T H << S+ 0 0 108 -3,-1.2 2,-0.5 -4,-0.6 -2,-0.2 0.505 113.8 79.6-133.4 -7.3 -18.3 20.3 57.6 109 117 A Q < - 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0 0 32 0, 0.0 -9,-0.1 0, 0.0 -10,-0.0 -0.393 25.7-144.2 -62.8 140.0 -4.8 17.7 59.5 217 225 A I S S+ 0 0 18 -11,-0.4 -10,-0.0 1,-0.3 -11,-0.0 0.850 94.2 31.3 -75.1 -31.8 -2.4 16.2 62.0 218 226 A F S S+ 0 0 0 -36,-0.3 2,-2.2 -12,-0.1 -1,-0.3 -0.637 72.2 178.3-127.6 72.8 0.8 17.6 60.4 219 227 A P - 0 0 48 0, 0.0 -37,-0.1 0, 0.0 -38,-0.0 -0.354 10.8-172.2 -81.6 64.2 -0.1 20.9 58.8 220 228 A G - 0 0 1 -2,-2.2 -38,-0.1 1,-0.1 6,-0.1 -0.257 20.7-144.8 -56.6 141.8 3.3 22.0 57.5 221 229 A K S S- 0 0 171 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.623 78.1 -8.4 -86.6 -12.3 3.2 25.5 56.1 222 230 A H S >> S- 0 0 99 1,-0.1 3,-1.0 -41,-0.0 4,-0.9 -0.944 91.0 -75.4-172.6 171.0 5.7 24.7 53.4 223 231 A Y G >4 S+ 0 0 48 -2,-0.3 3,-0.8 1,-0.3 4,-0.4 0.856 127.6 44.1 -50.0 -45.8 8.0 21.8 52.3 224 232 A L G 34 S+ 0 0 102 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.752 107.6 60.7 -75.4 -21.9 10.6 22.4 54.9 225 233 A D G <> S+ 0 0 23 -3,-1.0 4,-1.4 1,-0.2 3,-0.3 0.712 84.0 81.1 -75.5 -19.3 8.1 22.9 57.7 226 234 A Q H S+ 0 0 7 -4,-0.4 4,-2.9 -3,-0.3 5,-0.3 0.854 103.9 61.7 -62.6 -35.0 9.3 17.5 59.3 228 236 A N H > S+ 0 0 82 -4,-0.5 4,-1.6 -3,-0.3 -1,-0.2 0.903 107.4 44.5 -53.5 -45.6 8.9 20.1 62.2 229 237 A H H X S+ 0 0 58 -4,-1.4 4,-0.9 -3,-0.4 -2,-0.2 0.914 112.9 50.0 -71.0 -41.4 5.3 19.0 62.6 230 238 A I H >X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.9 0.955 115.7 41.5 -61.6 -51.2 6.0 15.3 62.4 231 239 A L H 3X S+ 0 0 13 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.789 105.1 66.6 -68.3 -26.4 8.8 15.4 65.0 232 240 A G H 3< S+ 0 0 39 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.760 115.3 28.6 -66.1 -24.9 6.8 17.8 67.2 233 241 A I H << S+ 0 0 22 -3,-0.9 30,-3.0 -4,-0.9 -2,-0.2 0.825 125.1 42.3-100.3 -48.1 4.2 15.0 67.7 234 242 A L H < S- 0 0 23 -4,-2.7 28,-0.2 28,-0.2 -3,-0.2 0.761 101.1-143.0 -70.7 -23.1 6.2 11.8 67.4 235 243 A G < - 0 0 4 -4,-1.8 26,-0.2 -5,-0.3 -1,-0.2 -0.231 44.8 -24.1 81.3-179.8 9.2 13.2 69.4 236 244 A S S S- 0 0 46 24,-2.7 26,-0.1 1,-0.1 23,-0.1 -0.365 74.2-108.7 -64.4 136.2 12.9 12.6 68.8 237 245 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 -0.351 36.9-106.6 -64.5 148.6 13.7 9.3 67.0 238 246 A S > - 0 0 54 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.224 26.9-108.2 -65.8 160.4 15.4 6.6 69.0 239 247 A Q H > S+ 0 0 154 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 121.7 53.3 -55.4 -43.6 19.1 5.7 68.6 240 248 A E H > S+ 0 0 122 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.930 109.3 47.4 -59.7 -45.1 18.0 2.5 66.8 241 249 A D H 4 S+ 0 0 20 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.874 112.8 48.8 -66.3 -37.5 15.9 4.4 64.3 242 250 A L H >< S+ 0 0 18 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.890 103.4 61.4 -64.6 -38.8 18.7 6.9 63.7 243 251 A N H 3< S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.751 96.1 62.2 -62.1 -20.9 21.1 4.0 63.2 244 252 A C T 3< S+ 0 0 62 -4,-0.8 2,-0.9 -3,-0.4 -1,-0.3 0.591 89.0 77.5 -77.6 -13.4 18.9 2.9 60.3 245 253 A I < + 0 0 10 -3,-2.2 -1,-0.1 -4,-0.2 6,-0.1 -0.843 55.4 174.0-100.2 99.6 19.6 6.2 58.5 246 254 A I + 0 0 142 -2,-0.9 -1,-0.2 -55,-0.1 2,-0.1 0.838 48.2 101.7 -76.4 -31.7 23.1 5.8 57.0 247 255 A N > - 0 0 51 1,-0.1 4,-2.7 -76,-0.1 5,-0.2 -0.350 64.5-150.7 -57.8 123.3 23.1 9.1 55.1 248 256 A L H > S+ 0 0 117 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.852 90.8 53.3 -70.2 -38.5 25.1 11.5 57.2 249 257 A K H > S+ 0 0 160 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.936 115.0 42.8 -61.4 -45.4 23.4 14.7 56.2 250 258 A A H > S+ 0 0 0 2,-0.2 4,-1.9 -60,-0.2 -2,-0.2 0.949 117.2 44.9 -64.4 -51.9 20.0 13.2 57.2 251 259 A R H X S+ 0 0 61 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.935 113.9 49.9 -60.8 -45.9 21.2 11.6 60.4 252 260 A N H X S+ 0 0 85 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.806 105.0 57.1 -65.0 -31.1 23.2 14.7 61.5 253 261 A Y H >< S+ 0 0 70 -4,-1.6 3,-0.6 -5,-0.2 4,-0.4 0.959 110.8 44.3 -59.7 -50.1 20.2 17.0 60.9 254 262 A L H >< S+ 0 0 10 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.905 111.5 52.7 -62.0 -39.2 18.2 14.9 63.3 255 263 A L H 3< S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.747 101.7 62.3 -68.1 -22.2 21.0 14.7 65.8 256 264 A S T << S+ 0 0 85 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.594 86.6 93.6 -79.4 -11.3 21.3 18.5 65.7 257 265 A L S < S- 0 0 57 -3,-1.3 3,-0.1 -4,-0.4 -3,-0.0 -0.530 82.7-108.8 -85.7 148.6 17.8 19.0 67.1 258 266 A P - 0 0 86 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.362 51.1 -83.3 -66.4 155.6 16.9 19.5 70.7 259 267 A H - 0 0 137 -23,-0.1 2,-0.4 -24,-0.1 -24,-0.0 -0.395 48.4-165.8 -60.5 134.8 15.2 16.5 72.4 260 268 A K - 0 0 102 -2,-0.1 -24,-2.7 -3,-0.1 2,-0.2 -0.991 13.4-131.2-124.1 133.7 11.4 16.5 71.9 261 269 A N - 0 0 120 -2,-0.4 -26,-0.3 -26,-0.2 2,-0.2 -0.489 27.6-105.1 -78.0 147.0 9.0 14.3 73.8 262 270 A K - 0 0 100 -28,-0.2 -28,-0.2 -2,-0.2 -27,-0.1 -0.491 28.9-134.0 -62.7 136.4 6.3 12.2 72.2 263 271 A V - 0 0 47 -30,-3.0 5,-0.1 -2,-0.2 -1,-0.0 -0.899 29.1-116.6 -93.1 120.4 2.8 13.7 72.5 264 272 A P >> - 0 0 62 0, 0.0 3,-1.5 0, 0.0 4,-1.4 -0.297 12.5-132.7 -61.4 136.3 0.4 10.9 73.5 265 273 A W H 3> S+ 0 0 17 1,-0.3 4,-2.4 2,-0.2 3,-0.1 0.866 105.3 59.0 -56.3 -35.6 -2.2 10.2 71.0 266 274 A N H 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.665 102.8 52.6 -74.6 -13.8 -4.9 10.2 73.7 267 275 A R H <4 S+ 0 0 187 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.829 113.4 43.2 -83.0 -34.0 -4.1 13.8 74.6 268 276 A L H < S+ 0 0 65 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.827 130.6 26.5 -73.6 -34.1 -4.4 14.8 71.0 269 277 A F >< + 0 0 11 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 -0.628 68.3 165.9-132.6 71.0 -7.6 12.8 70.5 270 278 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.654 79.3 48.5 -68.2 -14.1 -9.3 12.4 74.0 271 279 A N T 3 S+ 0 0 152 -59,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.461 88.7 114.1-102.1 -4.4 -12.5 11.2 72.5 272 280 A A S < S- 0 0 27 -3,-1.5 2,-0.2 -7,-0.1 -3,-0.1 -0.316 76.9-100.4 -75.2 150.8 -11.0 8.6 70.2 273 281 A D > - 0 0 52 1,-0.1 4,-2.0 -2,-0.1 3,-0.4 -0.468 30.1-132.5 -61.6 128.7 -11.5 4.8 70.4 274 282 A S H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.834 106.8 54.8 -57.8 -34.4 -8.4 3.4 72.1 275 283 A K H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.878 105.6 52.5 -67.7 -36.6 -8.1 0.7 69.4 276 284 A A H > S+ 0 0 0 -3,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.916 109.3 49.9 -60.6 -43.4 -8.1 3.4 66.7 277 285 A L H X S+ 0 0 16 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.868 107.8 53.1 -66.6 -34.8 -5.2 5.2 68.5 278 286 A D H X S+ 0 0 72 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.937 113.2 43.2 -63.6 -44.9 -3.2 2.0 68.7 279 287 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.917 110.9 55.8 -65.9 -42.4 -3.6 1.4 65.0 280 288 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 3,-0.2 0.927 106.1 51.6 -53.8 -47.9 -2.9 5.1 64.3 281 289 A D H < S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.9 50.6 -57.6 -40.4 0.4 4.8 66.3 282 290 A K H >< S+ 0 0 78 -4,-1.5 10,-2.0 1,-0.2 3,-0.5 0.811 113.2 44.7 -72.6 -29.7 1.4 1.8 64.2 283 291 A M H 3< S+ 0 0 0 -4,-2.0 2,-0.5 -3,-0.2 -78,-0.2 0.857 112.4 52.6 -77.9 -36.5 0.7 3.6 60.9 284 292 A L T 3< S+ 0 0 1 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.290 78.3 142.0 -96.3 47.4 2.5 6.8 62.0 285 293 A T < - 0 0 29 -3,-0.5 6,-0.1 -2,-0.5 -3,-0.1 -0.767 50.2-139.9 -89.1 131.1 5.7 5.0 63.0 286 294 A F S S+ 0 0 24 -2,-0.4 -99,-0.2 -52,-0.1 -1,-0.1 0.930 86.8 68.6 -56.9 -51.6 8.8 7.0 62.2 287 295 A N S >> S- 0 0 4 1,-0.2 3,-1.1 -3,-0.1 4,-1.0 -0.609 73.1-152.8 -76.1 115.1 11.0 4.0 61.0 288 296 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.768 94.7 58.2 -64.4 -23.8 9.4 2.8 57.7 289 297 A H T 34 S+ 0 0 145 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.804 110.1 42.5 -72.0 -27.8 10.8 -0.7 58.3 290 298 A K T <4 S+ 0 0 100 -3,-1.1 -1,-0.2 2,-0.1 3,-0.1 0.565 90.7 114.6 -90.3 -11.1 8.8 -0.9 61.6 291 299 A R S < S- 0 0 8 -4,-1.0 -8,-0.2 -6,-0.1 -9,-0.1 -0.313 77.6-100.6 -65.7 140.1 5.7 0.7 60.1 292 300 A I - 0 0 15 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.271 35.3-131.8 -62.7 145.7 2.6 -1.6 59.9 293 301 A E > - 0 0 133 -3,-0.1 4,-2.4 1,-0.1 3,-0.5 -0.610 25.3-103.5 -96.2 162.0 1.9 -3.1 56.5 294 302 A V H > S+ 0 0 12 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.868 119.5 49.5 -56.3 -41.7 -1.5 -3.1 54.8 295 303 A E H > S+ 0 0 111 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.858 112.1 48.9 -68.3 -33.2 -2.4 -6.7 55.6 296 304 A Q H 4 S+ 0 0 112 -3,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.881 109.1 53.4 -67.3 -41.4 -1.4 -6.3 59.3 297 305 A A H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 6,-0.3 0.929 104.8 53.7 -62.9 -42.3 -3.5 -3.1 59.5 298 306 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.3 50.4 -57.9 -34.1 -6.6 -5.0 58.2 299 307 A A T 3< S+ 0 0 47 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.381 83.7 120.0 -86.1 -0.2 -6.1 -7.6 61.0 300 308 A H S X S- 0 0 15 -3,-1.7 3,-2.1 -4,-0.3 4,-0.2 -0.421 76.8-115.2 -68.4 143.9 -5.9 -5.0 63.7 301 309 A P G > S+ 0 0 69 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.772 111.7 67.8 -50.7 -31.1 -8.5 -5.2 66.5 302 310 A Y G 3 S+ 0 0 8 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.849 106.0 41.5 -56.9 -33.4 -10.0 -1.8 65.6 303 311 A L G X> S+ 0 0 0 -3,-2.1 4,-2.2 -6,-0.3 3,-1.9 0.226 78.7 116.1 -99.1 13.6 -11.2 -3.4 62.3 304 312 A E T <4 + 0 0 144 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.778 68.3 62.2 -59.2 -29.0 -12.4 -6.7 63.7 305 313 A Q T 34 S+ 0 0 146 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.782 119.2 26.2 -65.8 -24.7 -16.1 -6.0 62.8 306 314 A Y T <4 S+ 0 0 80 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.2 0.679 88.0 119.8-108.9 -28.5 -15.1 -6.0 59.1 307 315 A Y < + 0 0 95 -4,-2.2 -8,-0.1 -9,-0.2 5,-0.0 -0.191 20.6 144.0 -56.7 125.1 -11.9 -8.1 58.7 308 316 A D > - 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