==== 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 27-AUG-12 4GSB . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR E.POZHARSKI,J.ZHANG,P.SHAPIRO . 345 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 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 . 41 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 1 3 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 114 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.2 -11.8 20.7 -7.0 2 10 A E - 0 0 98 7,-0.2 7,-2.0 6,-0.1 2,-0.3 -0.138 360.0-146.1 -56.0 154.2 -13.3 21.6 -3.6 3 11 A M E -A 8 0A 104 5,-0.2 2,-0.5 15,-0.1 5,-0.2 -0.908 6.0-152.7-124.1 153.0 -11.4 24.2 -1.7 4 12 A V E > -A 7 0A 12 3,-2.8 3,-1.5 -2,-0.3 15,-0.1 -0.965 60.8 -50.6-135.5 119.4 -10.9 24.6 2.0 5 13 A R T 3 S- 0 0 87 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.735 130.5 -14.3 30.0 62.8 -10.3 27.8 3.9 6 14 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.671 121.0 47.5 123.6 -77.1 -7.5 28.7 1.5 7 15 A Q E < S-A 4 0A 68 -3,-1.5 -3,-2.8 -2,-0.4 2,-0.2 -0.424 81.7 -79.3-116.3 171.4 -6.3 25.9 -0.7 8 16 A V E +A 3 0A 53 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.454 35.8 176.7 -63.7 129.1 -7.1 23.0 -3.0 9 17 A F - 0 0 1 -7,-2.0 2,-1.0 -2,-0.2 3,-0.2 -0.795 10.9-179.4-137.0 92.8 -8.1 19.9 -1.1 10 18 A D + 0 0 79 -2,-0.3 80,-0.1 1,-0.2 -2,-0.1 -0.714 31.6 125.6-111.8 84.9 -8.9 17.6 -3.9 11 19 A V > + 0 0 4 -2,-1.0 4,-1.0 4,-0.2 3,-0.3 0.378 48.5 150.3-128.7 -1.0 -10.1 14.2 -2.6 12 20 A G T 4 + 0 0 43 1,-0.2 4,-0.1 2,-0.2 -2,-0.0 -0.145 35.0 40.5 -64.6 168.8 -13.4 13.9 -4.5 13 21 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 20,-0.1 -0.972 123.1 38.7 -85.3 -17.1 -15.5 12.2 -5.7 14 22 A R T 4 S+ 0 0 66 -3,-0.3 19,-2.7 1,-0.1 2,-0.5 0.871 117.0 50.7 -66.0 -31.9 -15.4 9.6 -3.0 15 23 A Y E < +B 32 0B 3 -4,-1.0 -4,-0.2 17,-0.2 2,-0.2 -0.894 69.6 155.6-115.7 129.2 -14.9 12.0 -0.1 16 24 A T E +B 31 0B 36 15,-1.9 15,-3.2 -2,-0.5 -2,-0.0 -0.703 40.6 57.4-135.9 178.7 -17.2 15.0 0.4 17 25 A N E S- 0 0 103 -2,-0.2 -1,-0.2 13,-0.2 2,-0.1 0.939 72.3-159.3 61.8 54.9 -18.5 17.4 3.0 18 26 A L E - 0 0 28 12,-0.1 2,-0.4 -3,-0.1 12,-0.2 -0.372 16.2-173.3 -75.4 147.4 -15.1 18.7 4.1 19 27 A S E -B 29 0B 63 10,-2.1 10,-2.3 -2,-0.1 -15,-0.1 -0.956 27.2-119.3-142.2 118.9 -14.4 20.4 7.4 20 28 A Y E +B 28 0B 108 -2,-0.4 8,-0.3 8,-0.2 3,-0.1 -0.225 32.2 171.2 -53.7 131.7 -11.1 21.9 8.4 21 29 A I E - 0 0 93 6,-3.3 2,-0.3 1,-0.3 7,-0.2 0.735 50.1 -81.4-105.6 -49.4 -9.4 20.3 11.5 22 30 A G E B 27 0B 17 5,-1.5 5,-2.5 1,-0.0 -1,-0.3 -0.951 360.0 360.0 174.3-162.6 -6.0 22.0 11.5 23 31 A E 0 0 137 -2,-0.3 3,-0.1 3,-0.2 -1,-0.0 -0.084 360.0 360.0-121.5 360.0 -2.4 22.2 10.3 24 ! 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 25 35 A G 0 0 71 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-161.9 -0.0 20.1 5.5 26 36 A M - 0 0 6 17,-0.1 17,-2.9 -3,-0.1 2,-0.4 -0.625 360.0-154.2 -91.2 137.8 -3.8 20.5 6.1 27 37 A V E +BC 22 42B 31 -5,-2.5 -6,-3.3 -2,-0.3 -5,-1.5 -0.936 19.1 166.9-110.8 132.9 -6.2 18.1 7.9 28 38 A C E -BC 20 41B 0 13,-2.2 13,-2.9 -2,-0.4 2,-0.3 -0.948 31.4-128.3-130.4 153.2 -9.9 17.9 7.2 29 39 A S E +BC 19 40B 12 -10,-2.3 -10,-2.1 -2,-0.3 2,-0.3 -0.743 34.3 179.5 -89.0 155.1 -12.6 15.4 8.1 30 40 A A E - C 0 39B 0 9,-2.3 9,-3.0 -2,-0.3 2,-0.5 -0.967 33.0-103.3-150.5 160.0 -14.7 14.2 5.2 31 41 A Y E -BC 16 38B 72 -15,-3.2 -15,-1.9 -2,-0.3 2,-1.0 -0.822 29.2-139.7 -90.3 125.6 -17.6 11.9 4.5 32 42 A D E >> -BC 15 37B 0 5,-3.1 4,-1.9 -2,-0.5 5,-0.8 -0.754 12.8-166.3 -89.3 100.8 -16.5 8.5 2.9 33 43 A N T 45S+ 0 0 68 -19,-2.7 -1,-0.2 -2,-1.0 -18,-0.1 0.668 85.1 50.7 -64.7 -19.6 -19.2 7.9 0.3 34 44 A L T 45S+ 0 0 119 -20,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.935 123.7 25.6 -81.7 -50.5 -18.1 4.2 -0.1 35 45 A N T 45S- 0 0 95 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.437 99.4-131.5 -93.5 -4.2 -18.0 3.2 3.6 36 46 A K T <5 + 0 0 87 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.816 68.6 109.8 52.5 42.9 -20.6 5.8 4.7 37 47 A V E + 0 0 2 0, 0.0 3,-1.6 0, 0.0 7,-0.5 0.527 30.7 100.1-109.6 -6.1 6.5 17.0 0.4 47 57 A F T 3 S+ 0 0 22 40,-0.4 285,-0.1 1,-0.3 284,-0.1 0.529 74.0 63.7 -77.4 -6.5 8.3 16.7 -2.9 48 58 A E T 3 S+ 0 0 152 -3,-0.2 2,-0.5 1,-0.1 -1,-0.3 0.801 101.1 57.5 -74.2 -31.1 10.3 20.0 -2.8 49 59 A H <> - 0 0 101 -3,-1.6 4,-2.4 1,-0.1 3,-0.4 -0.915 67.2-146.5-125.2 120.5 12.3 18.9 0.2 50 60 A Q H > S+ 0 0 64 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.891 101.5 51.7 -39.9 -56.4 14.5 15.9 0.9 51 61 A T H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 110.3 47.3 -62.3 -35.9 13.6 15.7 4.6 52 62 A Y H > S+ 0 0 112 -3,-0.4 4,-2.6 -6,-0.2 5,-0.3 0.900 109.4 54.4 -71.4 -37.9 9.8 15.7 4.0 53 63 A X H X S+ 0 0 0 -4,-2.4 4,-2.5 -7,-0.5 5,-0.2 0.937 111.0 46.9 -56.8 -46.6 10.2 13.0 1.2 54 64 A Q H X S+ 0 0 10 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.945 114.0 45.3 -62.2 -51.7 12.0 10.9 3.8 55 65 A R H X S+ 0 0 96 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.894 114.9 47.9 -63.2 -40.0 9.5 11.3 6.6 56 66 A T H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.915 113.8 46.7 -67.4 -45.8 6.5 10.8 4.3 57 67 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.938 112.2 51.0 -59.1 -47.1 8.0 7.7 2.8 58 68 A R H X S+ 0 0 29 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.939 112.1 45.8 -56.4 -47.0 8.9 6.3 6.1 59 69 A E H X S+ 0 0 18 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.883 114.5 46.6 -64.8 -44.1 5.5 6.8 7.5 60 70 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.946 113.0 48.0 -64.5 -47.1 3.7 5.4 4.6 61 71 A K H X S+ 0 0 53 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.931 117.1 44.4 -60.3 -43.3 5.9 2.2 4.3 62 72 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 3,-0.4 0.959 114.6 45.9 -65.8 -51.5 5.6 1.6 8.1 63 73 A L H < S+ 0 0 3 -4,-2.6 11,-0.4 1,-0.3 -1,-0.2 0.859 111.6 53.5 -66.4 -33.1 1.8 2.2 8.4 64 74 A L H < S+ 0 0 36 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.842 112.8 42.8 -65.4 -33.5 1.1 0.1 5.3 65 75 A R H < S+ 0 0 121 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.926 102.5 79.0 -76.6 -44.1 3.0 -2.9 6.7 66 76 A F < + 0 0 14 -4,-2.6 2,-0.3 -5,-0.2 62,-0.0 -0.295 51.5 179.9 -70.1 141.6 1.7 -2.6 10.3 67 77 A R + 0 0 223 6,-0.1 2,-0.3 -2,-0.0 5,-0.1 -0.841 26.1 132.0-142.7 104.1 -1.7 -3.9 11.2 68 78 A H > - 0 0 18 3,-0.5 3,-1.8 -2,-0.3 56,-0.0 -0.985 59.8-123.0-157.0 141.3 -2.7 -3.5 14.8 69 79 A E T 3 S+ 0 0 127 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.736 112.2 47.9 -60.6 -24.0 -5.7 -2.2 16.8 70 80 A N T 3 S+ 0 0 5 82,-0.1 83,-2.6 2,-0.1 2,-0.4 0.067 100.0 74.5-106.9 20.0 -3.5 0.4 18.6 71 81 A I B < S-f 153 0C 6 -3,-1.8 -3,-0.5 81,-0.3 83,-0.2 -0.999 89.2-111.9-128.3 134.9 -1.7 1.8 15.6 72 82 A I - 0 0 1 81,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.338 34.7-147.6 -65.8 139.1 -3.4 4.1 13.2 73 83 A G - 0 0 26 -4,-0.1 2,-0.6 -6,-0.1 21,-0.3 -0.527 14.3-119.3 -94.5 170.1 -3.9 2.4 9.7 74 84 A I - 0 0 20 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.961 26.0-175.8-106.1 122.0 -4.0 4.1 6.3 75 85 A N - 0 0 56 17,-3.0 2,-0.3 -2,-0.6 18,-0.2 0.765 66.4 -13.0 -83.8 -31.0 -7.4 3.4 4.7 76 86 A D E -E 92 0B 20 16,-1.3 16,-2.9 2,-0.0 2,-0.4 -0.965 53.6-145.9-166.7 156.4 -6.7 5.0 1.4 77 87 A I E -E 91 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.980 15.2-157.7-139.9 129.5 -4.1 7.2 -0.4 78 88 A I E +E 90 0B 34 12,-2.3 12,-3.0 -2,-0.4 2,-0.3 -0.914 29.1 137.7-111.2 124.1 -5.2 9.7 -3.1 79 89 A R - 0 0 19 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.975 54.6 -75.5-158.8 167.0 -2.7 11.0 -5.7 80 90 A A - 0 0 23 8,-0.5 6,-0.1 -2,-0.3 263,-0.0 -0.215 43.0-116.1 -60.2 159.8 -2.4 11.7 -9.3 81 91 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.621 94.4 45.9 -76.7 -11.2 -2.1 8.8 -11.7 82 92 A T S > S- 0 0 44 1,-0.1 4,-0.8 0, 0.0 3,-0.3 -0.927 79.5-124.1-129.7 154.5 1.4 9.8 -12.9 83 93 A I T 4 S+ 0 0 49 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.840 112.1 56.5 -62.5 -32.7 4.5 10.9 -11.2 84 94 A E T 4 S+ 0 0 144 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.828 111.9 40.9 -65.9 -36.0 4.6 14.0 -13.4 85 95 A Q T 4 S+ 0 0 121 -3,-0.3 2,-0.8 2,-0.0 -1,-0.2 0.520 90.3 104.1 -90.5 -8.4 1.1 15.1 -12.2 86 96 A M < + 0 0 0 -4,-0.8 3,-0.1 -3,-0.4 250,-0.1 -0.699 27.5 142.5 -81.7 110.4 1.6 14.1 -8.6 87 97 A K + 0 0 138 -2,-0.8 -40,-0.4 1,-0.3 2,-0.3 0.653 69.3 24.6-110.8 -31.4 2.2 17.3 -6.5 88 98 A D - 0 0 42 -43,-0.1 -8,-0.5 -42,-0.1 2,-0.4 -0.896 63.1-151.7-132.5 156.9 0.3 16.3 -3.3 89 99 A V E -D 44 0B 0 -45,-2.5 -45,-2.9 -2,-0.3 2,-0.5 -0.999 9.8-151.7-131.1 134.3 -0.7 13.1 -1.6 90 100 A Y E -DE 43 78B 10 -12,-3.0 -12,-2.3 -2,-0.4 2,-0.5 -0.932 6.6-156.4-105.4 128.6 -3.8 12.7 0.6 91 101 A I E -DE 42 77B 4 -49,-2.9 -49,-2.6 -2,-0.5 2,-0.5 -0.913 6.9-153.9-106.8 126.5 -3.7 10.1 3.4 92 102 A V E +DE 41 76B 0 -16,-2.9 -17,-3.0 -2,-0.5 -16,-1.3 -0.881 22.7 164.4-101.4 129.7 -7.1 8.8 4.5 93 103 A Q E -D 40 0B 13 -53,-2.8 -53,-3.0 -2,-0.5 -19,-0.1 -0.867 47.0 -75.0-139.9 163.9 -7.4 7.4 8.1 94 104 A D E -D 39 0B 65 -21,-0.3 2,-0.4 -2,-0.3 -55,-0.2 -0.354 56.2-112.6 -54.0 139.4 -10.1 6.6 10.7 95 105 A L - 0 0 65 -57,-0.7 2,-0.5 -65,-0.1 -1,-0.1 -0.618 33.2-156.0 -76.0 128.8 -11.5 9.8 12.2 96 106 A M - 0 0 25 -2,-0.4 50,-0.2 1,-0.1 49,-0.0 -0.923 17.5-134.7-113.5 133.8 -10.5 10.1 15.8 97 107 A E S S- 0 0 113 -2,-0.5 49,-0.2 47,-0.1 2,-0.2 0.889 76.0 -40.8 -50.4 -39.5 -12.5 12.2 18.3 98 108 A T E -G 145 0C 28 47,-2.6 47,-2.4 -3,-0.1 2,-0.3 -0.764 57.7-106.6-166.0-170.1 -9.4 13.7 19.9 99 109 A D E > -G 144 0C 30 45,-0.3 4,-2.4 -2,-0.2 45,-0.2 -0.904 35.0-103.8-138.5 170.2 -5.8 13.0 21.0 100 110 A L H > S+ 0 0 0 43,-2.1 4,-2.4 40,-1.2 41,-0.2 0.804 117.8 57.1 -69.9 -24.8 -4.1 12.7 24.4 101 111 A Y H > S+ 0 0 113 39,-0.8 4,-1.6 42,-0.2 -1,-0.2 0.981 111.7 41.4 -64.7 -56.5 -2.5 16.2 24.2 102 112 A K H > S+ 0 0 65 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.904 115.5 50.9 -55.7 -41.9 -5.9 17.9 23.7 103 113 A L H >X S+ 0 0 18 -4,-2.4 4,-3.0 1,-0.2 3,-1.6 0.958 108.3 50.9 -66.7 -44.7 -7.6 15.7 26.3 104 114 A L H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 100.1 66.2 -66.8 -24.7 -5.0 16.5 29.0 105 115 A K H 3< S+ 0 0 136 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.763 125.0 6.7 -64.5 -27.7 -5.3 20.2 28.3 106 116 A T H << S+ 0 0 103 -3,-1.6 2,-0.4 -4,-0.7 -2,-0.2 0.578 114.8 71.9-135.5 -5.3 -8.9 20.2 29.7 107 117 A Q < - 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0 0 28 20,-1.6 76,-0.1 -2,-0.1 3,-0.1 -0.901 42.7 -81.1-153.3 172.4 27.7 9.0 20.2 170 180 A G > - 0 0 28 -2,-0.3 3,-0.8 1,-0.1 2,-0.2 -0.149 58.4 -73.0 -76.6-179.3 29.4 12.0 21.8 171 181 A F T 3 S+ 0 0 42 1,-0.2 17,-0.2 18,-0.1 -1,-0.1 -0.503 112.8 12.1 -78.0 142.4 28.0 14.4 24.4 172 182 A L T 3 S+ 0 0 66 15,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.834 80.7 171.1 61.8 36.2 25.5 17.1 23.3 173 183 A T < - 0 0 51 -3,-0.8 -1,-0.2 13,-0.4 17,-0.1 -0.678 41.2-103.4 -83.1 139.1 24.9 15.4 19.9 174 184 A E - 0 0 153 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.124 40.9-165.0 -70.6 150.8 21.9 17.1 18.2 175 185 A Y - 0 0 30 1,-0.1 4,-0.1 2,-0.1 -1,-0.0 -0.977 20.2-153.7-142.8 151.8 18.7 15.3 18.2 176 186 A V + 0 0 94 -2,-0.3 3,-0.1 -18,-0.1 -1,-0.1 0.812 61.2 94.4 -98.4 -33.6 15.3 15.7 16.2 177 187 A A S S- 0 0 5 1,-0.2 -40,-0.1 -19,-0.1 5,-0.1 -0.104 92.8 -67.8 -66.1 151.9 12.5 14.2 18.5 178 188 A T > - 0 0 42 1,-0.1 3,-1.6 3,-0.1 4,-0.2 -0.107 46.9-135.3 -42.9 125.2 10.3 16.3 20.9 179 189 A R G > S+ 0 0 86 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.826 94.2 56.7 -63.0 -45.2 12.4 17.6 23.6 180 190 A W G 3 S+ 0 0 89 1,-0.3 36,-0.3 38,-0.1 -1,-0.3 0.699 110.1 47.2 -64.3 -11.6 10.3 17.0 26.8 181 191 A Y G < S+ 0 0 13 -3,-1.6 2,-0.4 34,-0.1 -1,-0.3 0.286 83.9 120.0-113.7 15.7 10.0 13.2 26.0 182 192 A R < - 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0 0 36 0, 0.0 -9,-0.1 0, 0.0 -10,-0.0 -0.444 27.2-143.1 -64.3 145.5 4.6 17.4 31.4 215 225 A I S S+ 0 0 19 -11,-0.3 -34,-0.1 1,-0.3 -10,-0.0 0.844 91.4 28.3 -80.1 -34.2 7.0 16.0 34.0 216 226 A F + 0 0 0 -36,-0.3 2,-2.1 2,-0.1 -1,-0.3 -0.674 68.3 173.8-126.6 72.5 10.2 17.4 32.4 217 227 A P - 0 0 39 0, 0.0 -37,-0.1 0, 0.0 7,-0.1 -0.387 14.6-177.3 -87.5 65.5 9.3 20.5 30.5 218 228 A G - 0 0 0 -2,-2.1 -38,-0.1 1,-0.1 6,-0.1 -0.228 21.9-149.6 -55.3 144.9 12.9 21.5 29.5 219 229 A K S S+ 0 0 164 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.540 73.6 5.4 -96.8 -7.0 13.2 24.8 27.6 220 230 A H S >> S- 0 0 111 1,-0.1 4,-1.5 -41,-0.0 3,-0.5 -0.977 94.4 -71.5-165.8 172.7 16.3 23.9 25.6 221 231 A Y H >> S+ 0 0 34 -2,-0.3 4,-0.6 1,-0.3 3,-0.5 0.771 125.5 26.2 -44.4 -63.9 18.6 21.1 24.8 222 232 A L H 3> S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.734 110.7 70.8 -80.0 -18.6 20.6 20.7 28.1 223 233 A D H <> S+ 0 0 39 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.829 91.4 62.5 -58.2 -31.4 17.8 22.2 30.3 224 234 A Q H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 3,-1.2 0.954 113.2 46.0 -61.9 -48.0 15.4 14.9 34.6 229 239 A L H 3X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.839 102.0 65.7 -69.2 -25.4 18.1 15.0 37.2 230 240 A G H 3< S+ 0 0 37 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.734 115.7 29.6 -63.8 -23.2 16.1 17.3 39.4 231 241 A I H << S+ 0 0 23 -3,-1.2 30,-2.8 -4,-0.7 -2,-0.2 0.808 125.0 40.4-101.6 -48.1 13.7 14.6 39.9 232 242 A L H < S- 0 0 22 -4,-3.0 28,-0.3 28,-0.2 -3,-0.2 0.752 102.4-139.7 -75.3 -20.7 15.6 11.3 39.6 233 243 A G < - 0 0 4 -4,-2.0 26,-0.2 -5,-0.4 -1,-0.2 -0.156 45.4 -26.7 83.7 176.4 18.5 12.8 41.6 234 244 A S S S- 0 0 46 24,-2.9 26,-0.1 1,-0.1 23,-0.1 -0.297 74.6-108.6 -61.1 138.4 22.2 12.2 40.8 235 245 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 -0.379 37.4-104.6 -69.9 153.8 23.0 9.0 39.0 236 246 A S > - 0 0 53 1,-0.1 4,-2.8 -2,-0.0 5,-0.2 -0.127 26.8-106.8 -68.5 161.9 24.8 6.3 40.9 237 247 A Q H > S+ 0 0 159 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 122.0 51.3 -50.1 -48.6 28.4 5.4 40.6 238 248 A E H > S+ 0 0 114 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.900 109.7 48.3 -62.4 -44.2 27.4 2.2 38.8 239 249 A D H 4 S+ 0 0 19 2,-0.2 3,-0.3 1,-0.2 4,-0.3 0.876 113.2 47.3 -65.4 -38.9 25.2 4.1 36.3 240 250 A L H >< S+ 0 0 15 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.914 104.4 61.2 -65.1 -39.2 28.0 6.7 35.6 241 251 A N H 3< S+ 0 0 93 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.784 96.2 62.3 -59.1 -28.1 30.5 3.9 35.2 242 252 A C T 3< S+ 0 0 68 -4,-0.9 2,-0.9 -3,-0.3 -1,-0.3 0.637 88.9 75.2 -66.2 -18.4 28.3 2.8 32.3 243 253 A I < + 0 0 9 -3,-2.3 -1,-0.1 -4,-0.3 6,-0.1 -0.846 58.5 175.9 -97.6 104.4 28.9 6.0 30.4 244 254 A I + 0 0 132 -2,-0.9 -1,-0.2 -55,-0.1 2,-0.1 0.818 47.7 102.8 -81.6 -30.4 32.5 5.7 29.1 245 255 A N > - 0 0 40 1,-0.2 4,-2.5 -76,-0.1 5,-0.2 -0.367 65.5-149.0 -60.7 124.2 32.5 8.9 27.1 246 256 A L H > S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.837 90.7 53.9 -66.8 -39.4 34.6 11.4 29.2 247 257 A K H > S+ 0 0 156 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.952 114.0 42.7 -60.8 -45.6 32.8 14.6 28.2 248 258 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 117.6 44.5 -69.8 -45.2 29.4 13.2 29.2 249 259 A R H X S+ 0 0 57 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.931 113.0 50.5 -67.5 -39.3 30.6 11.6 32.4 250 260 A N H X S+ 0 0 84 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.833 106.2 56.2 -67.9 -31.5 32.6 14.6 33.6 251 261 A Y H >X S+ 0 0 48 -4,-1.7 4,-0.5 -5,-0.2 3,-0.5 0.959 110.2 45.4 -61.5 -47.4 29.6 16.9 32.9 252 262 A L H >< S+ 0 0 12 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.909 111.0 53.2 -61.5 -42.3 27.5 14.7 35.3 253 263 A L H 3< S+ 0 0 104 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.760 102.2 60.9 -60.0 -29.6 30.4 14.6 37.8 254 264 A S H << S+ 0 0 83 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.630 85.5 93.9 -73.4 -14.5 30.5 18.4 37.7 255 265 A L S << S- 0 0 35 -3,-1.3 3,-0.1 -4,-0.5 -3,-0.0 -0.513 84.6-107.4 -84.1 146.6 26.9 18.8 39.0 256 266 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.290 51.1 -86.4 -63.4 146.8 26.1 19.3 42.7 257 267 A H - 0 0 134 -4,-0.1 2,-0.4 -23,-0.1 -24,-0.0 -0.381 47.6-169.3 -57.6 138.0 24.6 16.3 44.3 258 268 A K - 0 0 52 -3,-0.1 -24,-2.9 -23,-0.0 2,-0.2 -0.999 12.5-138.4-129.1 137.2 20.8 16.1 44.1 259 269 A N - 0 0 125 -2,-0.4 -26,-0.3 -26,-0.2 0, 0.0 -0.573 33.2 -90.9 -92.4 157.2 18.6 13.6 45.9 260 270 A K - 0 0 95 -28,-0.3 -28,-0.2 -2,-0.2 -1,-0.1 -0.281 29.3-135.7 -59.0 137.0 15.5 11.7 44.4 261 271 A V - 0 0 47 -30,-2.8 2,-0.1 -28,-0.0 -1,-0.1 -0.955 33.6-117.8 -93.1 119.1 12.1 13.4 44.6 262 272 A P >> - 0 0 69 0, 0.0 3,-1.6 0, 0.0 4,-1.5 -0.392 12.2-131.1 -59.9 141.3 9.8 10.5 45.7 263 273 A W H 3> S+ 0 0 18 1,-0.3 4,-2.5 2,-0.2 13,-0.0 0.860 106.2 59.9 -64.2 -30.9 7.1 9.8 43.1 264 274 A N H 34 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.709 103.2 51.9 -78.1 -9.6 4.5 9.8 45.8 265 275 A R H <4 S+ 0 0 66 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.844 114.4 42.3 -85.5 -30.6 5.3 13.4 46.7 266 276 A L H < S+ 0 0 64 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.795 130.2 27.7 -82.6 -32.4 5.0 14.5 43.1 267 277 A F >< + 0 0 11 -4,-2.5 3,-1.4 -5,-0.2 -1,-0.3 -0.625 67.0 163.9-130.0 75.0 1.9 12.4 42.5 268 278 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.752 77.7 50.2 -77.1 -12.4 0.1 12.1 45.9 269 279 A N T 3 S+ 0 0 164 -59,-0.1 3,-0.1 2,-0.1 2,-0.1 0.506 88.5 112.0 -93.9 -5.6 -3.2 11.0 44.3 270 280 A A S < S- 0 0 24 -3,-1.4 2,-0.1 1,-0.1 -3,-0.1 -0.353 77.8-102.5 -74.4 149.4 -1.7 8.2 42.1 271 281 A D > - 0 0 54 1,-0.1 4,-1.8 -2,-0.1 3,-0.2 -0.454 29.4-129.6 -59.2 134.7 -2.2 4.5 42.5 272 282 A S H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.815 108.6 54.3 -63.3 -30.4 0.9 3.1 44.2 273 283 A K H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.876 105.3 54.0 -71.0 -38.2 1.2 0.4 41.5 274 284 A A H > S+ 0 0 0 -3,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.910 109.2 48.6 -58.9 -39.2 1.2 3.1 38.8 275 285 A L H X S+ 0 0 15 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.830 107.8 53.8 -72.8 -31.3 4.1 4.8 40.5 276 286 A D H X S+ 0 0 69 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.929 113.4 42.9 -66.3 -45.9 6.1 1.6 40.8 277 287 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.932 111.9 54.8 -68.1 -38.1 5.7 1.1 37.0 278 288 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.920 106.3 52.1 -56.3 -40.1 6.5 4.8 36.4 279 289 A D H < S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.893 109.1 49.8 -66.6 -39.1 9.7 4.4 38.4 280 290 A K H >< S+ 0 0 76 -4,-1.5 10,-1.8 1,-0.2 3,-0.5 0.815 112.8 46.2 -72.3 -29.1 10.8 1.4 36.2 281 291 A M H 3< S+ 0 0 0 -4,-1.9 2,-0.7 1,-0.2 -2,-0.2 0.845 112.1 51.2 -79.2 -38.3 10.1 3.3 33.0 282 292 A L T 3< S+ 0 0 1 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.2 -0.350 77.8 142.0 -92.8 56.0 11.9 6.4 34.1 283 293 A T < - 0 0 28 -2,-0.7 6,-0.2 -3,-0.5 -3,-0.1 -0.834 50.4-139.1 -99.4 128.6 15.0 4.6 35.1 284 294 A F S S+ 0 0 23 -2,-0.5 -99,-0.3 4,-0.1 -1,-0.1 0.899 87.4 68.2 -55.6 -45.8 18.2 6.6 34.3 285 295 A N S >> S- 0 0 7 1,-0.2 3,-1.1 -101,-0.1 4,-0.8 -0.658 73.3-153.4 -82.7 117.3 20.3 3.7 33.1 286 296 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.769 94.0 59.3 -65.8 -25.3 18.7 2.4 29.8 287 297 A H T 34 S+ 0 0 158 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.791 109.8 42.5 -70.8 -23.7 20.1 -1.0 30.3 288 298 A K T <4 S+ 0 0 103 -3,-1.1 -1,-0.2 2,-0.1 3,-0.1 0.545 90.3 113.1 -96.6 -7.8 18.1 -1.3 33.6 289 299 A R S < S- 0 0 8 -4,-0.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.330 78.1-101.8 -67.8 142.2 14.9 0.3 32.2 290 300 A I - 0 0 17 -10,-1.8 2,-0.2 -13,-0.2 -1,-0.1 -0.317 34.7-131.0 -65.0 146.8 11.9 -1.9 31.9 291 301 A E > - 0 0 122 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.552 27.1-101.8 -95.5 168.4 11.1 -3.4 28.4 292 302 A V H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.874 119.2 50.2 -60.3 -41.8 7.7 -3.2 26.9 293 303 A E H > S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.894 111.7 49.5 -67.3 -33.3 6.7 -6.9 27.6 294 304 A Q H 4 S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.877 108.5 52.9 -70.0 -38.4 7.7 -6.5 31.2 295 305 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 6,-0.3 0.916 105.3 53.6 -60.9 -42.8 5.8 -3.4 31.5 296 306 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 108.6 51.7 -53.5 -35.7 2.6 -5.2 30.2 297 307 A A T 3< S+ 0 0 49 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.379 83.9 118.7 -85.2 0.8 3.1 -7.8 32.8 298 308 A H S X S- 0 0 15 -3,-1.6 3,-2.2 -4,-0.2 7,-0.2 -0.425 76.7-115.9 -72.3 144.1 3.4 -5.3 35.7 299 309 A P G > S+ 0 0 69 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.799 111.7 68.8 -47.1 -29.7 0.7 -5.5 38.5 300 310 A Y G 3 S+ 0 0 9 -27,-0.3 3,-0.3 1,-0.3 -26,-0.1 0.862 105.8 41.2 -62.9 -26.9 -0.7 -2.1 37.6 301 311 A L G X> S+ 0 0 0 -3,-2.2 3,-2.2 -6,-0.3 4,-2.0 0.212 77.9 115.4-100.5 12.9 -1.9 -3.6 34.3 302 312 A E T <4 + 0 0 142 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.787 69.0 64.3 -60.9 -26.3 -3.2 -6.9 35.6 303 313 A Q T 34 S+ 0 0 143 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.794 118.7 23.4 -65.4 -21.9 -6.8 -6.1 34.7 304 314 A Y T <4 S+ 0 0 72 -3,-2.2 -2,-0.2 -8,-0.1 -1,-0.2 0.639 87.9 118.3-113.1 -27.7 -5.8 -6.0 31.0 305 315 A Y < + 0 0 97 -4,-2.0 -8,-0.1 -9,-0.2 3,-0.1 -0.278 20.0 144.1 -61.7 129.8 -2.7 -8.2 30.5 306 316 A D > - 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