==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-APR-10 3AGM . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.PFLUG,J.RAGOZINA,A.URI,D.BOSSEMEYER,R.A.ENGH . 345 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 64.6 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 . 44 12.8 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 . 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 2 0 1 0 2 0 0 1 0 0 1 0 0 1 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 1 1 0 1 0 3 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 12 A Q > 0 0 180 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.5 -11.5 41.0 -9.0 2 13 A E H > + 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 360.0 54.2 -69.9 -34.7 -10.1 39.6 -12.2 3 14 A S H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.800 109.4 49.7 -67.5 -30.5 -8.4 36.7 -10.4 4 15 A V H > S+ 0 0 44 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.961 110.9 47.1 -70.4 -55.0 -11.8 35.8 -8.9 5 16 A K H X S+ 0 0 142 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.901 115.3 46.8 -51.2 -47.4 -13.7 35.9 -12.2 6 17 A E H X S+ 0 0 108 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.880 112.2 50.6 -64.8 -40.8 -10.9 33.8 -13.8 7 18 A F H X S+ 0 0 69 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.908 110.9 48.5 -60.8 -44.1 -10.9 31.4 -10.8 8 19 A L H X S+ 0 0 29 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.867 108.9 52.9 -70.7 -33.9 -14.6 30.9 -11.0 9 20 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.947 111.7 44.9 -63.8 -50.1 -14.6 30.2 -14.8 10 21 A K H X S+ 0 0 149 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.937 112.8 53.4 -57.3 -47.1 -12.0 27.5 -14.4 11 22 A A H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.829 106.1 52.3 -57.4 -37.7 -14.0 26.1 -11.4 12 23 A K H X S+ 0 0 86 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.934 109.0 49.4 -66.5 -45.2 -17.2 26.0 -13.5 13 24 A E H X S+ 0 0 122 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.932 113.3 47.4 -55.9 -47.8 -15.4 24.0 -16.3 14 25 A D H X S+ 0 0 88 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.927 114.2 47.2 -58.8 -48.0 -14.0 21.6 -13.6 15 26 A F H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.916 110.1 51.1 -59.1 -50.7 -17.4 21.2 -12.0 16 27 A L H X S+ 0 0 51 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.870 106.3 54.1 -62.2 -41.4 -19.4 20.6 -15.2 17 28 A K H X S+ 0 0 146 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.969 117.0 37.6 -52.8 -55.2 -17.1 17.8 -16.4 18 29 A K H < S+ 0 0 101 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.829 113.6 56.8 -70.7 -33.7 -17.5 15.9 -13.1 19 30 A W H < S+ 0 0 27 -4,-2.9 -1,-0.2 67,-0.2 -2,-0.2 0.890 111.8 43.2 -60.7 -40.2 -21.2 16.9 -12.9 20 31 A E H < S+ 0 0 123 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.761 125.5 32.5 -80.2 -27.7 -21.8 15.3 -16.3 21 32 A S S < S- 0 0 99 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.597 87.0-161.5-129.5 74.9 -19.8 12.2 -15.7 22 33 A P - 0 0 41 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.223 20.9-114.6 -65.2 137.5 -20.1 11.4 -12.0 23 34 A A - 0 0 45 -5,-0.1 2,-0.3 59,-0.1 3,-0.1 -0.516 40.7-178.1 -65.0 135.7 -17.6 9.1 -10.2 24 35 A Q + 0 0 98 -2,-0.2 75,-0.1 1,-0.2 315,-0.1 -0.985 51.7 6.5-137.3 148.0 -19.3 5.9 -9.0 25 36 A N + 0 0 121 -2,-0.3 74,-0.2 1,-0.1 -1,-0.2 0.920 65.9 155.3 51.9 58.5 -18.1 2.8 -7.0 26 37 A T + 0 0 68 72,-2.8 2,-0.3 -3,-0.1 73,-0.2 0.402 63.6 11.9-100.1 0.3 -14.6 4.0 -6.2 27 38 A A - 0 0 7 71,-0.6 2,-0.3 70,-0.0 3,-0.0 -0.916 66.8-130.3-156.0-178.7 -14.1 1.8 -3.1 28 39 A H > - 0 0 99 -2,-0.3 3,-1.8 71,-0.1 4,-0.2 -0.973 27.5-115.7-139.9 151.6 -15.7 -1.1 -1.2 29 40 A L G > S+ 0 0 36 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.814 110.1 66.4 -54.4 -38.1 -16.6 -1.5 2.5 30 41 A D G 3 S+ 0 0 113 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.580 89.2 68.1 -65.0 -11.7 -14.0 -4.3 3.0 31 42 A Q G < S+ 0 0 73 -3,-1.8 21,-2.9 21,-0.1 22,-0.4 0.589 95.4 69.5 -81.0 -10.2 -11.3 -1.7 2.4 32 43 A F E < -A 51 0A 14 -3,-2.1 2,-0.5 19,-0.3 19,-0.2 -0.892 66.1-148.0-121.4 140.0 -12.1 0.1 5.7 33 44 A E E -A 50 0A 89 17,-3.4 17,-2.8 -2,-0.4 2,-0.3 -0.886 27.1-123.7-101.0 129.8 -11.8 -0.7 9.4 34 45 A R E +A 49 0A 85 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.542 34.5 167.4 -74.1 132.9 -14.4 0.7 11.7 35 46 A I E - 0 0 59 13,-2.9 2,-0.3 1,-0.3 14,-0.2 0.783 58.5 -26.8-110.3 -54.8 -13.1 2.9 14.6 36 47 A K E -A 48 0A 41 12,-1.6 12,-3.6 285,-0.0 2,-0.5 -0.969 55.4-107.0-163.7 148.1 -16.0 4.7 16.1 37 48 A T E -A 47 0A 3 -2,-0.3 10,-0.3 282,-0.3 282,-0.2 -0.696 28.0-173.4 -78.4 125.5 -19.5 6.1 15.4 38 49 A L E - 0 0 16 8,-2.9 279,-0.3 -2,-0.5 2,-0.3 0.601 62.9 -18.0 -93.7 -17.0 -19.2 9.9 15.2 39 50 A G E -A 46 0A 16 7,-1.3 7,-2.6 277,-0.1 -1,-0.3 -0.916 53.8-145.1 174.3 155.8 -23.0 10.6 14.9 40 51 A T E +A 45 0A 55 -2,-0.3 303,-0.4 5,-0.2 5,-0.2 -0.926 16.1 170.2-136.5 153.8 -26.4 9.2 14.1 41 52 A G - 0 0 26 3,-2.4 301,-0.3 -2,-0.3 3,-0.0 -0.688 52.0 -73.7-144.1-160.8 -29.6 10.5 12.4 42 53 A S S S+ 0 0 42 -2,-0.2 3,-0.1 1,-0.2 29,-0.0 0.732 126.0 19.4 -82.4 -24.3 -32.9 9.2 11.1 43 54 A F S S- 0 0 14 1,-0.1 21,-2.3 28,-0.0 2,-0.3 0.215 127.2 -7.1-129.0 17.1 -31.6 7.5 8.0 44 55 A G E - B 0 63A 15 19,-0.3 -3,-2.4 23,-0.1 2,-0.3 -0.984 53.6-121.8-179.8-168.2 -27.9 7.0 8.6 45 56 A R E -AB 40 62A 43 17,-2.1 17,-3.1 -2,-0.3 2,-0.4 -0.957 15.1-131.8-152.1 162.4 -24.7 7.4 10.6 46 57 A V E -AB 39 61A 42 -7,-2.6 -8,-2.9 -2,-0.3 -7,-1.3 -0.993 28.1-171.0-123.2 130.8 -21.2 8.8 10.2 47 58 A M E -AB 37 60A 0 13,-2.9 13,-3.4 -2,-0.4 2,-0.5 -0.940 26.5-124.1-122.8 144.3 -18.3 6.7 11.4 48 59 A L E +AB 36 59A 0 -12,-3.6 -13,-2.9 -2,-0.4 -12,-1.6 -0.748 43.6 175.9 -77.1 128.0 -14.6 7.2 11.8 49 60 A V E -AB 34 58A 4 9,-2.4 9,-2.6 -2,-0.5 2,-0.5 -0.922 27.7-136.7-132.7 158.7 -12.9 4.5 9.8 50 61 A K E -AB 33 57A 61 -17,-2.8 -17,-3.4 -2,-0.3 2,-0.5 -0.984 23.1-126.2-118.4 123.2 -9.3 3.6 8.8 51 62 A H E > -A 32 0A 15 5,-3.1 4,-2.7 -2,-0.5 -19,-0.3 -0.558 24.1-142.0 -64.5 115.5 -8.4 2.6 5.2 52 63 A K T 4 S+ 0 0 123 -21,-2.9 -1,-0.2 -2,-0.5 -20,-0.1 0.853 91.2 42.7 -54.5 -43.1 -6.8 -0.8 5.8 53 64 A E T 4 S+ 0 0 170 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.898 125.7 28.2 -74.8 -43.4 -4.0 -0.5 3.2 54 65 A T T 4 S- 0 0 81 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.697 92.1-131.4 -93.7 -21.1 -2.9 3.1 3.7 55 66 A G < + 0 0 33 -4,-2.7 2,-0.2 1,-0.3 -3,-0.1 0.432 57.1 145.7 78.7 -0.8 -3.7 3.6 7.4 56 67 A N - 0 0 85 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.3 -0.499 44.2-133.6 -70.4 136.2 -5.4 6.9 6.5 57 68 A H E +B 50 0A 49 -7,-0.2 54,-0.6 -2,-0.2 2,-0.3 -0.695 27.8 175.8 -89.8 145.4 -8.5 7.8 8.6 58 69 A Y E -BC 49 110A 20 -9,-2.6 -9,-2.4 -2,-0.3 2,-0.6 -0.913 34.1-116.4-138.7 162.7 -11.7 9.1 7.0 59 70 A A E -BC 48 109A 11 50,-3.0 50,-3.1 -2,-0.3 2,-0.6 -0.941 33.3-159.3-102.6 117.4 -15.2 10.0 8.0 60 71 A M E -BC 47 108A 1 -13,-3.4 -13,-2.9 -2,-0.6 2,-0.6 -0.860 6.5-156.6-104.4 116.7 -17.7 7.6 6.4 61 72 A K E -BC 46 107A 18 46,-2.9 46,-1.9 -2,-0.6 2,-0.5 -0.793 12.8-168.3 -87.6 121.7 -21.4 8.6 6.0 62 73 A I E -BC 45 106A 2 -17,-3.1 -17,-2.1 -2,-0.6 2,-0.5 -0.958 0.7-166.9-115.6 119.7 -23.5 5.4 5.8 63 74 A L E -BC 44 105A 4 42,-2.6 42,-2.5 -2,-0.5 2,-0.6 -0.926 20.8-130.9-111.2 132.5 -27.1 5.8 4.7 64 75 A D E > - C 0 104A 44 -21,-2.3 4,-2.1 -2,-0.5 3,-0.3 -0.688 15.7-151.7 -79.2 113.0 -29.8 3.1 5.0 65 76 A K H > S+ 0 0 0 38,-2.0 4,-2.1 -2,-0.6 5,-0.2 0.873 93.8 51.0 -54.6 -44.0 -31.5 3.0 1.5 66 77 A Q H > S+ 0 0 98 37,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.878 112.5 46.5 -63.8 -37.6 -34.8 1.8 2.9 67 78 A K H > S+ 0 0 108 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.808 108.9 54.7 -75.3 -31.9 -34.9 4.6 5.4 68 79 A V H <>S+ 0 0 0 -4,-2.1 5,-3.2 -25,-0.2 6,-0.3 0.903 110.9 46.4 -64.5 -43.6 -33.9 7.2 2.8 69 80 A V H ><5S+ 0 0 40 -4,-2.1 3,-1.3 3,-0.2 -2,-0.2 0.922 112.3 50.3 -64.1 -44.3 -36.9 6.1 0.7 70 81 A K H 3<5S+ 0 0 184 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.896 112.2 45.7 -65.2 -41.6 -39.3 6.1 3.7 71 82 A L T 3<5S- 0 0 84 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.273 115.0-118.3 -86.0 10.6 -38.3 9.6 4.8 72 83 A K T < 5S+ 0 0 169 -3,-1.3 -3,-0.2 1,-0.1 4,-0.2 0.842 73.7 131.9 56.1 43.3 -38.5 10.7 1.1 73 84 A Q >< + 0 0 39 -5,-3.2 4,-2.4 -6,-0.1 5,-0.2 0.078 26.9 113.8-109.0 24.0 -34.9 11.7 0.8 74 85 A I H > S+ 0 0 39 -6,-0.3 4,-2.2 2,-0.2 3,-0.3 0.979 82.1 37.1 -58.8 -64.0 -34.1 9.9 -2.5 75 86 A E H > S+ 0 0 116 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.876 116.4 56.0 -57.9 -39.0 -33.5 13.0 -4.7 76 87 A H H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 108.4 45.8 -60.3 -42.1 -31.8 14.7 -1.8 77 88 A T H X S+ 0 0 2 -4,-2.4 4,-1.9 -3,-0.3 -1,-0.2 0.869 112.8 50.9 -71.3 -36.5 -29.3 11.9 -1.3 78 89 A L H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.884 111.6 48.3 -63.6 -41.7 -28.7 11.7 -5.1 79 90 A N H X S+ 0 0 18 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.941 108.2 55.3 -59.1 -50.8 -28.0 15.5 -5.1 80 91 A E H X S+ 0 0 2 -4,-2.4 4,-2.8 95,-0.2 -2,-0.2 0.926 113.4 38.8 -52.8 -52.9 -25.7 15.3 -2.1 81 92 A K H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.912 116.4 49.5 -67.3 -46.6 -23.4 12.7 -3.7 82 93 A R H X S+ 0 0 70 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.885 116.4 42.9 -60.1 -41.2 -23.4 14.1 -7.3 83 94 A I H >X S+ 0 0 0 -4,-2.9 4,-1.3 -5,-0.2 3,-1.2 0.957 113.4 51.3 -70.6 -49.4 -22.7 17.6 -6.0 84 95 A L H 3< S+ 0 0 5 -4,-2.8 11,-0.5 -5,-0.3 3,-0.3 0.850 109.1 49.9 -57.8 -40.1 -20.0 16.5 -3.5 85 96 A Q H 3< S+ 0 0 25 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.700 114.9 45.8 -72.3 -16.2 -18.1 14.4 -6.1 86 97 A A H << S+ 0 0 3 -3,-1.2 -68,-0.2 -4,-0.6 -2,-0.2 0.619 96.3 83.7-102.8 -16.2 -18.1 17.4 -8.5 87 98 A V < - 0 0 18 -4,-1.3 2,-0.3 -3,-0.3 8,-0.2 -0.532 47.6-175.2 -95.4 156.5 -17.1 20.4 -6.2 88 99 A N + 0 0 112 -2,-0.2 -73,-0.1 6,-0.1 5,-0.1 -0.820 25.5 131.7-153.8 104.6 -13.6 21.5 -5.2 89 100 A F > - 0 0 15 3,-0.3 3,-1.7 -2,-0.3 -2,-0.0 -0.973 58.2-117.8-155.8 144.9 -13.1 24.4 -2.7 90 101 A P T 3 S+ 0 0 25 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.847 111.9 49.8 -54.0 -37.7 -10.9 24.7 0.5 91 102 A F T 3 S+ 0 0 0 47,-0.1 80,-2.7 79,-0.1 2,-0.5 0.264 94.9 83.5 -96.4 14.8 -13.9 25.2 2.8 92 103 A L B < S-e 171 0B 10 -3,-1.7 -3,-0.3 78,-0.2 80,-0.1 -0.972 87.3-113.1-112.2 127.2 -15.9 22.2 1.6 93 104 A V - 0 0 3 78,-2.1 2,-0.3 -2,-0.5 -2,-0.1 -0.340 38.2-117.5 -57.9 134.8 -15.1 18.8 3.0 94 105 A K - 0 0 92 -4,-0.1 16,-2.2 1,-0.0 2,-0.7 -0.566 12.7-140.1 -83.6 132.1 -13.6 16.6 0.3 95 106 A L E +D 109 0A 26 -11,-0.5 14,-0.3 -2,-0.3 3,-0.1 -0.838 23.2 177.2 -86.9 120.2 -15.4 13.4 -0.8 96 107 A E E + 0 0 69 12,-2.7 2,-0.3 -2,-0.7 13,-0.2 0.838 60.4 0.1 -93.2 -40.2 -12.7 10.8 -1.3 97 108 A F E -D 108 0A 46 11,-1.8 11,-3.1 2,-0.0 2,-0.3 -0.990 56.5-172.4-145.2 154.7 -14.7 7.7 -2.3 98 109 A S E +D 107 0A 2 -2,-0.3 -72,-2.8 9,-0.2 -71,-0.6 -0.989 16.8 140.6-145.5 157.6 -18.3 6.6 -2.7 99 110 A F E -D 106 0A 6 7,-1.7 7,-2.7 -2,-0.3 2,-0.3 -0.960 28.0-136.4-171.3 175.4 -20.1 3.3 -3.3 100 111 A K E -D 105 0A 60 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.948 10.5-169.4-140.4 161.1 -23.2 1.3 -2.4 101 112 A D - 0 0 34 3,-2.1 230,-0.2 -2,-0.3 225,-0.0 -0.619 53.7 -67.3-128.3-162.7 -24.1 -2.3 -1.5 102 113 A N S S+ 0 0 50 225,-0.2 229,-2.8 -2,-0.2 226,-0.1 0.851 129.4 18.8 -54.9 -34.9 -27.3 -4.2 -1.1 103 114 A S S S+ 0 0 11 227,-0.2 -38,-2.0 224,-0.1 -37,-0.5 0.811 118.4 36.1-110.1 -37.7 -28.4 -2.2 1.9 104 115 A N E -C 64 0A 6 -40,-0.2 -3,-2.1 -39,-0.1 2,-0.3 -0.770 56.5-130.9-128.7 162.0 -26.6 1.1 2.2 105 116 A L E -CD 63 100A 0 -42,-2.5 -42,-2.6 -2,-0.2 2,-0.4 -0.891 28.5-155.2-110.1 146.2 -25.0 4.1 0.4 106 117 A Y E +CD 62 99A 0 -7,-2.7 -7,-1.7 -2,-0.3 2,-0.4 -0.975 19.1 178.2-132.8 133.8 -21.5 5.2 1.4 107 118 A M E -CD 61 98A 0 -46,-1.9 -46,-2.9 -2,-0.4 2,-0.6 -0.969 15.0-159.1-133.3 113.8 -19.6 8.5 1.1 108 119 A V E +CD 60 97A 0 -11,-3.1 -12,-2.7 -2,-0.4 -11,-1.8 -0.865 20.9 177.0-100.7 121.3 -16.1 8.5 2.5 109 120 A M E -CD 59 95A 6 -50,-3.1 -50,-3.0 -2,-0.6 -14,-0.2 -0.764 39.5 -79.4-121.5 161.3 -14.9 12.0 3.3 110 121 A E E -C 58 0A 68 -16,-2.2 2,-0.4 -2,-0.3 -52,-0.2 -0.392 53.0-119.8 -56.2 132.8 -11.9 13.7 4.8 111 122 A Y - 0 0 25 -54,-0.6 -1,-0.1 -62,-0.1 -54,-0.1 -0.706 22.8-162.8 -80.9 126.7 -12.0 13.3 8.6 112 123 A V > - 0 0 3 -2,-0.4 3,-1.1 1,-0.1 51,-0.2 -0.896 5.1-173.7-111.3 101.3 -12.1 16.6 10.6 113 124 A P T 3 + 0 0 21 0, 0.0 202,-0.4 0, 0.0 51,-0.1 0.647 68.7 79.5 -76.5 -11.4 -11.2 15.9 14.2 114 125 A G T 3 S- 0 0 0 49,-0.7 50,-0.1 1,-0.2 192,-0.1 0.643 90.3-142.2 -72.4 -14.0 -11.9 19.4 15.6 115 126 A G < - 0 0 0 -3,-1.1 48,-1.9 48,-0.1 2,-0.2 -0.275 36.5 -27.5 85.9-169.9 -15.6 18.8 15.7 116 127 A E B > -F 162 0B 39 199,-0.5 4,-1.3 46,-0.2 3,-0.4 -0.534 46.4-130.4 -85.2 143.5 -18.6 21.0 15.0 117 128 A M H > S+ 0 0 1 44,-2.5 4,-2.8 41,-0.9 42,-0.2 0.858 106.2 66.7 -54.4 -36.9 -18.5 24.8 15.4 118 129 A F H > S+ 0 0 27 40,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.918 99.8 47.5 -56.2 -45.8 -21.8 24.5 17.4 119 130 A S H > S+ 0 0 49 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.881 113.4 47.8 -62.4 -40.2 -20.1 22.6 20.3 120 131 A H H X S+ 0 0 8 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.865 109.4 54.0 -69.1 -36.0 -17.2 25.1 20.4 121 132 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.897 109.3 48.2 -63.9 -40.6 -19.7 28.0 20.4 122 133 A R H < S+ 0 0 124 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.842 112.3 48.7 -67.8 -36.3 -21.5 26.5 23.4 123 134 A R H < S+ 0 0 141 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.895 119.7 36.7 -70.6 -40.7 -18.3 26.0 25.3 124 135 A I H < S- 0 0 76 -4,-2.2 2,-0.9 1,-0.1 -2,-0.2 0.759 97.3-139.8 -84.8 -27.8 -17.0 29.5 24.7 125 136 A G S < S- 0 0 31 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.1 -0.598 70.2 -1.1 101.7 -71.5 -20.4 31.2 25.0 126 137 A R S S- 0 0 120 -2,-0.9 2,-0.2 -3,-0.1 95,-0.2 -0.989 70.7-117.9-148.6 153.2 -20.0 33.7 22.1 127 138 A F - 0 0 4 93,-3.1 2,-0.1 -2,-0.3 96,-0.0 -0.626 32.1-111.3 -88.1 149.0 -17.3 34.7 19.6 128 139 A S > - 0 0 61 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.358 34.7-106.7 -66.7 158.3 -15.7 38.1 19.4 129 140 A E H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.885 124.7 48.7 -58.3 -42.1 -16.6 40.2 16.3 130 141 A P H > S+ 0 0 85 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.873 113.1 49.7 -59.9 -36.9 -13.1 39.6 14.9 131 142 A H H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.933 112.8 44.4 -66.0 -51.1 -13.6 35.9 15.6 132 143 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.879 109.6 57.4 -61.9 -39.5 -17.0 35.7 14.0 133 144 A R H X S+ 0 0 41 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.830 101.4 56.6 -61.8 -38.5 -15.7 37.7 11.0 134 145 A F H X S+ 0 0 13 -4,-1.4 4,-1.1 -3,-0.2 -1,-0.2 0.955 113.6 38.6 -56.8 -51.8 -13.0 35.2 10.3 135 146 A Y H >X S+ 0 0 3 -4,-1.4 4,-1.7 1,-0.2 3,-0.5 0.940 114.2 54.4 -67.0 -46.7 -15.6 32.3 10.0 136 147 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.870 102.5 57.7 -52.3 -46.4 -18.1 34.4 8.2 137 148 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.871 105.3 50.6 -53.0 -42.8 -15.6 35.4 5.5 138 149 A Q H <>S+ 0 0 3 -4,-3.0 5,-2.3 1,-0.2 3,-1.4 0.931 113.7 47.7 -56.0 -51.1 -21.4 27.4 -4.8 147 158 A H H ><5S+ 0 0 13 -4,-3.2 3,-2.0 1,-0.3 -1,-0.2 0.812 101.8 64.3 -62.1 -30.8 -23.7 30.0 -6.2 148 159 A S H 3<5S+ 0 0 38 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.748 105.7 46.2 -64.4 -21.3 -21.4 30.6 -9.2 149 160 A L T <<5S- 0 0 0 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.189 124.3-106.9-102.1 10.9 -22.2 27.0 -10.1 150 161 A D T < 5S+ 0 0 49 -3,-2.0 30,-2.5 1,-0.2 2,-0.5 0.746 74.6 142.8 67.2 27.9 -25.9 27.5 -9.5 151 162 A L E < -H 179 0C 2 -5,-2.3 2,-0.4 28,-0.2 -1,-0.2 -0.854 36.4-162.5-102.2 129.9 -25.8 25.5 -6.3 152 163 A I E -H 178 0C 4 26,-2.4 26,-2.3 -2,-0.5 54,-0.1 -0.916 3.2-161.7-105.3 139.7 -27.8 26.4 -3.2 153 164 A Y + 0 0 1 -2,-0.4 23,-0.2 24,-0.2 -1,-0.1 0.919 11.9 179.1 -90.0 -49.9 -26.6 24.9 0.0 154 165 A R + 0 0 16 1,-0.1 36,-0.1 52,-0.1 -1,-0.1 0.431 59.7 80.2 65.5 1.9 -29.7 25.3 2.3 155 166 A D + 0 0 2 34,-0.1 2,-0.2 18,-0.1 5,-0.1 0.131 55.1 151.6-125.5 30.2 -28.3 23.7 5.4 156 167 A L + 0 0 5 37,-0.1 34,-0.2 3,-0.1 3,-0.0 -0.376 17.1 119.7 -62.5 126.2 -26.2 26.4 6.9 157 168 A K S > S- 0 0 4 -2,-0.2 3,-2.0 58,-0.0 4,-0.2 -0.877 74.3 -99.1-174.0 159.1 -25.8 26.3 10.7 158 169 A P G > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -40,-1.1 0.767 117.3 67.8 -60.0 -26.6 -22.8 26.0 13.1 159 170 A E G 3 S+ 0 0 4 1,-0.3 -3,-0.1 -42,-0.2 -40,-0.1 0.752 100.7 49.2 -60.8 -26.6 -23.6 22.2 13.5 160 171 A N G < S+ 0 0 2 -3,-2.0 12,-2.4 -5,-0.1 2,-0.7 0.335 91.5 89.7 -97.5 9.4 -22.5 21.8 9.9 161 172 A L E < - G 0 171B 0 -3,-1.5 -44,-2.5 10,-0.2 2,-0.2 -0.886 60.9-163.0-113.4 102.4 -19.3 23.7 10.1 162 173 A L E -FG 116 170B 20 8,-2.6 8,-2.6 -2,-0.7 2,-0.6 -0.594 13.8-134.7 -85.8 147.0 -16.3 21.5 11.1 163 174 A I E - G 0 169B 2 -48,-1.9 -49,-0.7 -2,-0.2 6,-0.2 -0.909 21.2-153.0-106.3 113.3 -13.1 23.1 12.3 164 175 A D > - 0 0 13 4,-3.1 3,-2.3 -2,-0.6 -52,-0.1 -0.144 35.6 -91.0 -78.5 177.7 -9.9 21.7 10.8 165 176 A Q T 3 S+ 0 0 64 1,-0.3 -1,-0.1 2,-0.1 142,-0.1 0.561 128.2 56.0 -71.5 -9.5 -6.4 21.6 12.3 166 177 A Q T 3 S- 0 0 101 2,-0.2 135,-0.3 138,-0.1 -1,-0.3 0.422 119.9-111.5 -92.6 -3.7 -5.6 24.9 10.8 167 178 A G S < S+ 0 0 0 -3,-2.3 2,-0.2 1,-0.3 136,-0.2 0.605 77.0 130.5 81.7 12.2 -8.7 26.4 12.5 168 179 A Y - 0 0 3 133,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.646 60.5 -99.3 -96.2 157.4 -10.5 26.8 9.2 169 180 A I E - G 0 163B 0 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.470 25.9-169.8 -78.0 142.3 -14.0 25.7 8.3 170 181 A Q E - G 0 162B 6 -8,-2.6 -8,-2.6 -2,-0.2 2,-0.3 -0.953 19.6-141.0-127.1 114.9 -14.9 22.6 6.5 171 182 A V E -eG 92 161B 6 -80,-2.7 -78,-2.1 -2,-0.4 2,-0.3 -0.550 24.2-176.6 -78.1 128.7 -18.6 22.5 5.4 172 183 A T + 0 0 27 -12,-2.4 -78,-0.0 -2,-0.3 -2,-0.0 -0.832 43.0 50.8-121.7 165.5 -20.3 19.0 5.8 173 184 A D - 0 0 20 -2,-0.3 3,-0.3 1,-0.1 -1,-0.1 0.959 41.4-177.8 70.4 93.1 -23.7 17.6 4.9 174 185 A F > + 0 0 1 1,-0.2 3,-1.2 2,-0.1 -91,-0.1 0.037 44.2 122.7-102.2 24.9 -24.9 18.4 1.4 175 186 A G T 3 S+ 0 0 10 1,-0.3 -95,-0.2 -96,-0.1 -1,-0.2 0.829 82.4 35.5 -56.9 -34.4 -28.2 16.6 1.9 176 187 A F T 3 S+ 0 0 14 -3,-0.3 -1,-0.3 -23,-0.2 2,-0.1 0.407 89.1 121.5-100.5 3.3 -30.1 19.8 1.0 177 188 A A < + 0 0 2 -3,-1.2 2,-0.3 -101,-0.1 -24,-0.2 -0.421 39.4 177.4 -69.6 137.7 -27.7 21.0 -1.6 178 189 A K E -H 152 0C 42 -26,-2.3 -26,-2.4 -2,-0.1 2,-0.8 -0.996 32.8-131.3-146.7 138.7 -29.3 21.5 -5.0 179 190 A R E +H 151 0C 49 -2,-0.3 2,-0.4 -28,-0.2 -28,-0.2 -0.802 45.3 155.0 -86.1 113.7 -28.4 22.7 -8.5 180 191 A V - 0 0 24 -30,-2.5 2,-0.7 -2,-0.8 26,-0.1 -0.988 40.3-148.2-146.8 136.3 -31.1 25.1 -9.6 181 192 A K S S- 0 0 138 -2,-0.4 2,-0.6 2,-0.1 -2,-0.0 -0.899 82.3 -22.3 -95.3 110.2 -31.4 28.0 -12.1 182 193 A G S S+ 0 0 48 -2,-0.7 24,-0.3 2,-0.0 2,-0.2 -0.796 115.8 8.8 94.4-118.4 -33.9 30.4 -10.6 183 194 A R - 0 0 127 -2,-0.6 2,-0.3 22,-0.1 22,-0.2 -0.680 47.9-179.0-112.7 153.9 -36.4 29.0 -8.0 184 195 A T B -I 204 0D 3 20,-2.3 20,-2.1 -2,-0.2 -4,-0.0 -0.905 14.2-153.3-141.7 169.3 -37.1 25.9 -6.0 185 196 A W + 0 0 150 -2,-0.3 18,-0.2 18,-0.2 20,-0.0 0.540 41.2 128.7-127.5 -9.9 -39.8 24.8 -3.5 186 197 A X - 0 0 73 1,-0.1 2,-1.0 0, 0.0 -2,-0.1 -0.279 53.3-134.2 -62.1 131.2 -38.7 22.2 -1.0 187 198 A L + 0 0 124 14,-0.1 2,-0.3 12,-0.0 -1,-0.1 -0.773 55.5 131.8 -82.4 104.2 -39.4 23.0 2.7 188 199 A C + 0 0 11 -2,-1.0 2,-0.3 2,-0.1 -34,-0.0 -0.985 20.1 64.5-155.7 155.5 -36.1 22.0 4.2 189 200 A G S S- 0 0 20 -2,-0.3 -34,-0.1 -34,-0.1 3,-0.1 -0.890 84.9 -46.8 129.1-155.9 -33.4 23.3 6.6 190 201 A T >> - 0 0 5 -2,-0.3 3,-2.1 -34,-0.2 4,-0.9 -0.974 45.9-127.0-119.1 128.8 -33.4 24.2 10.3 191 202 A P G >4 S+ 0 0 18 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.826 109.1 52.7 -42.9 -48.2 -36.3 26.3 11.7 192 203 A E G 34 S+ 0 0 2 1,-0.2 35,-0.3 -3,-0.1 -35,-0.0 0.784 115.5 41.6 -58.7 -28.4 -33.9 28.9 13.3 193 204 A Y G <4 S+ 0 0 10 -3,-2.1 -1,-0.2 2,-0.1 2,-0.2 0.453 84.3 121.9-101.6 -3.3 -32.1 29.4 10.0 194 205 A L << - 0 0 7 -3,-1.0 -5,-0.1 -4,-0.9 14,-0.0 -0.441 58.9-129.2 -69.2 130.4 -35.1 29.4 7.5 195 206 A A >> - 0 0 1 -2,-0.2 4,-1.5 1,-0.1 3,-1.4 -0.442 25.3-112.2 -67.0 149.4 -35.5 32.5 5.3 196 207 A P H 3> S+ 0 0 1 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.874 115.9 59.2 -51.4 -43.1 -39.1 34.1 5.3 197 208 A E H 3>>S+ 0 0 5 1,-0.2 5,-0.8 2,-0.2 4,-0.5 0.709 102.7 51.8 -65.4 -22.6 -39.6 33.1 1.7 198 209 A I H X45S+ 0 0 13 -3,-1.4 3,-0.5 2,-0.2 -1,-0.2 0.921 113.5 43.9 -74.1 -48.0 -39.1 29.3 2.5 199 210 A I H 3<5S+ 0 0 44 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.1 0.922 108.4 58.2 -59.3 -47.3 -41.7 29.6 5.3 200 211 A L H 3<5S- 0 0 93 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.698 98.9-146.7 -60.2 -24.1 -44.0 31.6 3.0 201 212 A S T <<5 + 0 0 89 -4,-0.5 -3,-0.1 -3,-0.5 -1,-0.1 0.665 62.4 119.5 73.2 21.6 -43.9 28.6 0.7 202 213 A K S - 0 0 33 -2,-0.3 3,-2.4 -22,-0.2 4,-0.2 -0.587 53.6 -60.4-130.3-165.8 -33.7 31.1 -4.6 206 217 A K T >> S+ 0 0 73 -24,-0.3 3,-1.9 1,-0.3 4,-0.8 0.670 112.0 86.0 -58.2 -17.5 -30.0 31.3 -3.5 207 218 A A H 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.689 74.6 72.3 -55.4 -16.9 -30.9 34.4 -1.5 208 219 A V H <> S+ 0 0 4 -3,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.829 91.5 56.7 -69.7 -27.7 -31.9 31.9 1.3 209 220 A D H <> S+ 0 0 1 -3,-1.9 4,-2.0 -4,-0.2 -1,-0.2 0.901 105.5 49.8 -67.9 -39.9 -28.2 31.2 1.8 210 221 A W H X S+ 0 0 4 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.908 109.3 51.2 -68.3 -43.1 -27.4 34.9 2.5 211 222 A W H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 3,-0.2 0.953 109.6 50.9 -51.2 -51.9 -30.2 35.1 4.9 212 223 A A H X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.857 104.7 57.3 -60.0 -35.2 -28.8 32.1 6.7 213 224 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.933 103.8 53.1 -58.0 -44.5 -25.4 33.7 6.8 214 225 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.2 -2,-0.2 0.915 110.4 47.6 -54.4 -43.2 -27.1 36.6 8.7 215 226 A V H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.928 112.0 49.8 -63.7 -45.0 -28.4 34.1 11.2 216 227 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.928 111.5 47.4 -60.9 -49.0 -25.0 32.4 11.5 217 228 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.932 113.6 48.0 -59.8 -50.3 -23.1 35.7 12.1 218 229 A Y H X S+ 0 0 5 -4,-2.2 4,-3.3 -5,-0.2 5,-0.5 0.963 113.1 48.4 -52.5 -55.1 -25.7 36.8 14.7 219 230 A E H X S+ 0 0 5 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.922 111.5 50.4 -55.0 -46.5 -25.5 33.4 16.5 220 231 A M H < S+ 0 0 0 -4,-2.9 -93,-3.1 -5,-0.2 -1,-0.2 0.934 118.9 35.7 -55.9 -48.5 -21.7 33.5 16.5 221 232 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 -95,-0.2 -1,-0.2 0.846 125.8 38.0 -80.9 -34.4 -21.5 37.0 18.0 222 233 A A H < S- 0 0 6 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.765 99.0-128.1 -84.9 -28.9 -24.5 36.9 20.3 223 234 A G S < S+ 0 0 11 -4,-2.4 -4,-0.2 -5,-0.5 -3,-0.1 0.414 87.0 58.4 90.8 -1.2 -24.1 33.2 21.4 224 235 A Y S S- 0 0 117 -6,-0.4 -2,-0.2 -5,-0.1 -1,-0.2 -0.973 93.9 -92.7-155.2 155.3 -27.7 32.6 20.5 225 236 A P - 0 0 10 0, 0.0 3,-0.2 0, 0.0 -9,-0.1 -0.347 29.5-121.8 -78.6 158.8 -29.8 32.8 17.3 226 237 A P S S+ 0 0 19 0, 0.0 2,-0.6 0, 0.0 19,-0.3 0.781 102.4 43.7 -69.2 -30.9 -31.8 36.0 16.4 227 238 A F S S+ 0 0 5 -35,-0.3 2,-0.4 17,-0.1 8,-0.1 -0.913 75.5 156.2-120.4 100.3 -35.2 34.2 16.2 228 239 A F + 0 0 129 -2,-0.6 2,-0.3 -3,-0.2 3,-0.1 -0.962 4.0 148.8-128.3 143.0 -35.7 31.8 19.1 229 240 A A - 0 0 13 -2,-0.4 6,-0.1 1,-0.1 -37,-0.0 -0.974 55.6 -97.2-162.1 167.5 -38.9 30.4 20.6 230 241 A D S S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 0.872 106.1 26.5 -55.3 -43.9 -40.4 27.4 22.3 231 242 A Q S >> S- 0 0 96 1,-0.1 4,-1.7 -3,-0.1 3,-0.9 -0.947 80.5-115.8-132.0 146.5 -41.9 26.0 19.1 232 243 A P H 3> S+ 0 0 50 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.827 114.3 59.2 -46.2 -43.2 -41.1 26.2 15.4 233 244 A I H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.910 108.1 45.0 -56.0 -46.2 -44.4 28.0 14.7 234 245 A Q H <> S+ 0 0 70 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.804 111.9 53.0 -66.4 -33.5 -43.4 30.8 17.1 235 246 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.925 108.0 50.8 -64.6 -44.7 -39.9 30.9 15.5 236 247 A Y H X S+ 0 0 65 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.854 105.8 56.4 -62.1 -35.0 -41.4 31.3 12.1 237 248 A E H X S+ 0 0 127 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.921 108.6 46.0 -60.3 -48.0 -43.6 34.2 13.4 238 249 A K H X>S+ 0 0 96 -4,-1.5 5,-0.7 2,-0.2 4,-0.6 0.866 111.5 53.6 -60.7 -41.4 -40.4 36.1 14.5 239 250 A I H ><5S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.938 113.7 39.2 -61.6 -50.7 -38.7 35.3 11.2 240 251 A V H 3<5S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.601 97.4 83.8 -79.9 -7.7 -41.4 36.7 9.0 241 252 A S H 3<5S- 0 0 56 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.850 93.2-128.9 -62.2 -38.9 -42.1 39.7 11.3 242 253 A G T <<5 + 0 0 53 -3,-0.6 2,-0.4 -4,-0.6 -3,-0.1 0.639 69.1 120.6 91.2 21.6 -39.4 41.9 10.0 243 254 A K < + 0 0 158 -5,-0.7 2,-0.4 -4,-0.1 -1,-0.3 -0.972 33.4 170.5-126.9 128.3 -38.1 42.5 13.5 244 255 A V - 0 0 43 -2,-0.4 2,-0.5 -3,-0.1 -17,-0.1 -0.995 20.0-149.7-134.1 141.0 -34.7 41.8 15.1 245 256 A R - 0 0 177 -2,-0.4 -2,-0.0 -19,-0.3 0, 0.0 -0.959 17.6-155.9-112.2 121.8 -33.3 42.8 18.4 246 257 A F - 0 0 19 -2,-0.5 -2,-0.0 1,-0.1 9,-0.0 -0.811 20.8-108.9-102.4 136.9 -29.5 43.2 18.5 247 258 A P > - 0 0 7 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.208 28.6-117.0 -56.9 151.8 -27.3 43.0 21.6 248 259 A S T 3 S+ 0 0 109 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.814 112.0 59.4 -62.5 -33.0 -25.8 46.2 22.9 249 260 A H T 3 S+ 0 0 74 2,-0.0 -1,-0.3 -27,-0.0 2,-0.2 0.522 78.6 111.9 -76.6 -8.9 -22.2 45.1 22.3 250 261 A F S < S- 0 0 6 -3,-1.4 -4,-0.0 1,-0.1 -28,-0.0 -0.514 73.3-119.1 -66.7 129.2 -22.9 44.7 18.5 251 262 A S > - 0 0 37 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.232 19.5-114.4 -64.4 158.7 -20.9 47.3 16.5 252 263 A S H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 118.4 51.5 -59.9 -41.6 -22.9 49.7 14.3 253 264 A D H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 32,-0.3 0.908 107.3 51.3 -63.4 -43.8 -21.4 48.1 11.2 254 265 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 110.5 49.3 -58.9 -44.8 -22.3 44.6 12.3 255 266 A K H X S+ 0 0 61 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.900 110.2 50.8 -62.3 -45.6 -25.9 45.7 12.9 256 267 A D H X S+ 0 0 68 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.909 111.7 47.9 -56.8 -45.1 -26.1 47.4 9.5 257 268 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.933 113.8 46.1 -63.2 -44.8 -24.7 44.2 7.8 258 269 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.840 108.6 55.7 -69.6 -32.0 -27.2 42.0 9.6 259 270 A R H < S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.9 44.0 -63.2 -34.5 -30.1 44.4 8.8 260 271 A N H < S+ 0 0 38 -4,-1.6 10,-2.6 -5,-0.2 3,-0.3 0.717 120.1 39.4 -84.8 -24.2 -29.1 43.9 5.2 261 272 A L H < S+ 0 0 0 -4,-1.8 2,-1.0 8,-0.2 -2,-0.2 0.860 113.7 52.6 -87.0 -45.9 -28.7 40.2 5.4 262 273 A L S < S+ 0 0 11 -4,-3.3 2,-0.6 -5,-0.2 -1,-0.2 -0.229 81.2 144.0 -82.8 46.0 -31.7 39.5 7.6 263 274 A Q - 0 0 45 -2,-1.0 6,-0.1 -3,-0.3 5,-0.1 -0.807 44.5-151.0 -94.7 119.3 -33.8 41.5 5.1 264 275 A V S S+ 0 0 47 -2,-0.6 2,-0.8 1,-0.1 -67,-0.2 0.807 79.9 69.0 -64.8 -37.4 -37.3 40.0 4.8 265 276 A D S >> S- 0 0 75 1,-0.1 3,-2.7 -69,-0.1 4,-0.6 -0.782 77.2-146.3 -90.2 110.9 -38.0 41.0 1.2 266 277 A L T 34 S+ 0 0 49 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.502 92.7 64.6 -59.5 -6.4 -35.7 39.0 -1.0 267 278 A T T 34 S+ 0 0 94 1,-0.2 -1,-0.3 6,-0.0 -3,-0.1 0.527 107.8 38.3 -96.1 -10.2 -35.3 41.9 -3.5 268 279 A K T <4 S+ 0 0 123 -3,-2.7 2,-0.3 -5,-0.1 -2,-0.2 0.328 90.6 119.1-111.2 1.1 -33.5 44.2 -1.1 269 280 A R S >< S- 0 0 0 -4,-0.6 3,-2.2 -6,-0.1 4,-0.3 -0.543 73.1-109.5 -77.2 128.3 -31.4 41.5 0.6 270 281 A F T 3 S+ 0 0 33 -10,-2.6 7,-0.1 -2,-0.3 -7,-0.1 -0.295 106.7 31.0 -53.3 132.8 -27.6 41.8 0.4 271 282 A G T 3 S+ 0 0 0 5,-0.8 -1,-0.3 -61,-0.0 6,-0.2 0.211 111.4 68.0 93.3 -11.8 -26.3 39.1 -2.0 272 283 A N S < S+ 0 0 37 -3,-2.2 -2,-0.2 4,-0.2 2,-0.1 0.303 77.0 100.6-118.3 5.6 -29.4 39.1 -4.2 273 284 A L S > S- 0 0 55 -4,-0.3 3,-3.2 3,-0.3 6,-0.1 -0.438 96.4 -93.2 -82.6 162.4 -29.0 42.6 -5.6 274 285 A K T 3 S+ 0 0 222 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.795 129.7 55.1 -38.6 -35.5 -27.7 43.2 -9.1 275 286 A N T > S- 0 0 90 1,-0.2 3,-1.3 2,-0.1 4,-0.4 0.403 90.5-174.1 -90.3 -1.9 -24.3 43.5 -7.4 276 287 A G T X - 0 0 17 -3,-3.2 3,-1.2 1,-0.2 -5,-0.8 -0.037 59.4 -0.4 54.8-135.1 -24.5 40.1 -5.7 277 288 A V T >> S+ 0 0 19 1,-0.3 4,-2.9 -6,-0.2 3,-0.9 0.692 119.3 74.2 -65.7 -22.0 -21.8 39.0 -3.2 278 289 A N H <> S+ 0 0 55 -3,-1.3 4,-3.1 1,-0.3 -1,-0.3 0.861 85.5 64.4 -62.9 -32.1 -19.8 42.2 -3.6 279 290 A D H <4 S+ 0 0 38 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.852 113.4 35.4 -57.1 -32.1 -22.5 44.1 -1.6 280 291 A I H X4 S+ 0 0 0 -3,-0.9 3,-1.8 -4,-0.4 6,-0.3 0.933 117.4 50.0 -84.1 -52.9 -21.4 41.8 1.3 281 292 A K H 3< S+ 0 0 22 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.782 115.3 44.9 -58.0 -32.6 -17.6 41.6 0.5 282 293 A N T 3< S+ 0 0 116 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.361 87.0 123.1 -94.0 3.6 -17.4 45.3 0.2 283 294 A H S X S- 0 0 15 -3,-1.8 3,-1.9 -5,-0.2 -3,-0.1 -0.372 73.4-117.5 -67.4 146.1 -19.5 46.0 3.4 284 295 A K G > S+ 0 0 143 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.803 112.1 64.2 -53.0 -39.2 -17.8 48.0 6.1 285 296 A W G 3 S+ 0 0 3 -32,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.778 108.6 42.9 -57.5 -26.8 -17.9 45.2 8.6 286 297 A F G X S+ 0 0 3 -3,-1.9 3,-1.4 -6,-0.3 -1,-0.3 0.202 78.9 109.3-101.8 13.0 -15.5 43.3 6.3 287 298 A A T < S+ 0 0 84 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.867 82.1 48.8 -59.1 -35.6 -13.2 46.3 5.5 288 299 A T T 3 S+ 0 0 104 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.590 89.8 106.9 -75.8 -15.1 -10.5 44.6 7.6 289 300 A T < - 0 0 19 -3,-1.4 2,-1.0 -8,-0.1 3,-0.1 -0.560 58.8-153.2 -78.3 126.1 -10.9 41.3 5.8 290 301 A D > - 0 0 93 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.802 12.5-168.9 -94.3 93.3 -8.2 40.2 3.3 291 302 A W H > S+ 0 0 40 -2,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.795 82.2 48.6 -57.7 -37.1 -10.3 37.9 1.1 292 303 A I H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 110.6 50.8 -68.9 -45.7 -7.4 36.4 -0.8 293 304 A A H >>S+ 0 0 15 1,-0.2 5,-2.9 2,-0.2 4,-0.7 0.877 109.9 51.7 -59.2 -39.0 -5.4 35.6 2.4 294 305 A I H ><5S+ 0 0 4 -4,-2.2 3,-1.3 2,-0.2 -1,-0.2 0.956 108.2 50.1 -60.9 -52.3 -8.6 33.9 3.8 295 306 A Y H 3<5S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.874 114.0 46.4 -52.1 -41.5 -8.9 31.7 0.6 296 307 A Q H 3<5S- 0 0 104 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.601 109.9-123.7 -78.0 -11.8 -5.3 30.8 1.0 297 308 A R T <<5S+ 0 0 74 -3,-1.3 -3,-0.2 -4,-0.7 4,-0.1 0.839 72.8 129.3 65.3 35.4 -5.6 30.1 4.8 298 309 A K < + 0 0 157 -5,-2.9 2,-0.3 -6,-0.1 -4,-0.2 0.571 41.6 96.8 -93.9 -10.8 -2.8 32.6 5.5 299 310 A V S S- 0 0 51 -6,-0.7 2,-0.2 -9,-0.1 0, 0.0 -0.647 87.3-107.9 -80.6 133.7 -4.8 34.4 8.1 300 311 A E - 0 0 181 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.419 35.0-127.8 -61.0 124.2 -4.1 33.4 11.7 301 312 A A - 0 0 24 -135,-0.3 3,-0.1 -2,-0.2 -133,-0.1 -0.462 6.0-132.8 -72.7 148.5 -7.0 31.4 13.1 302 313 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.742 89.8 19.3 -69.9 -24.1 -8.6 32.5 16.4 303 314 A F - 0 0 50 -136,-0.2 -137,-0.0 -137,-0.1 0, 0.0 -0.977 60.2-159.4-154.8 127.6 -8.6 28.9 17.7 304 315 A I - 0 0 91 -2,-0.3 -139,-0.1 -3,-0.1 3,-0.1 -0.966 31.6-121.8-109.0 120.2 -6.8 25.7 16.8 305 316 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -191,-0.1 -0.349 35.2-103.7 -57.0 135.6 -8.5 22.5 18.1 306 317 A K - 0 0 142 -192,-0.1 2,-0.4 1,-0.1 -141,-0.0 -0.455 34.0-136.5 -59.9 124.4 -6.2 20.5 20.3 307 318 A F + 0 0 101 -2,-0.2 -1,-0.1 1,-0.1 -193,-0.0 -0.770 25.8 177.2 -85.4 133.4 -5.0 17.5 18.4 308 319 A K - 0 0 114 1,-0.5 -1,-0.1 -2,-0.4 5,-0.1 0.109 53.9 -84.0-122.1 17.2 -5.0 14.3 20.4 309 320 A G > - 0 0 18 3,-0.1 3,-1.3 2,-0.1 -1,-0.5 -0.294 64.1 -39.4 106.0 166.9 -3.8 12.0 17.7 310 321 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -254,-0.0 -0.411 126.1 13.5 -62.0 138.1 -5.2 10.0 14.7 311 322 A G T 3 S+ 0 0 18 1,-0.3 2,-0.2 -2,-0.1 -263,-0.1 0.494 87.4 140.7 70.9 1.7 -8.6 8.4 15.4 312 323 A D < - 0 0 54 -3,-1.3 -1,-0.3 1,-0.1 -3,-0.1 -0.607 26.4-179.0 -70.9 140.2 -9.2 10.5 18.6 313 324 A T > + 0 0 19 -2,-0.2 3,-2.4 -3,-0.1 -1,-0.1 0.111 35.9 127.1-130.5 20.9 -12.8 11.6 18.7 314 325 A S T 3 + 0 0 69 1,-0.3 -1,-0.1 -199,-0.0 -200,-0.1 0.669 69.8 64.2 -58.3 -19.1 -13.1 13.6 21.9 315 326 A N T 3 S+ 0 0 45 -202,-0.4 -199,-0.5 -3,-0.1 2,-0.3 0.337 98.4 69.3 -85.9 7.8 -14.7 16.6 20.0 316 327 A F S < S- 0 0 35 -3,-2.4 -277,-0.1 -201,-0.1 -3,-0.1 -0.900 87.4-106.8-124.2 154.0 -17.7 14.4 19.2 317 328 A D - 0 0 102 -279,-0.3 2,-0.2 -2,-0.3 -2,-0.1 -0.243 41.3 -97.4 -70.7 165.9 -20.5 13.0 21.4 318 329 A D - 0 0 132 -4,-0.1 2,-0.3 -279,-0.0 -1,-0.1 -0.566 39.7-179.4 -88.3 149.1 -20.7 9.3 22.4 319 330 A Y - 0 0 58 -2,-0.2 -282,-0.3 -282,-0.2 2,-0.1 -0.990 32.4-109.6-148.5 138.8 -22.9 6.8 20.5 320 331 A E - 0 0 148 -2,-0.3 2,-0.7 1,-0.1 0, 0.0 -0.496 40.2-112.7 -70.6 142.1 -23.5 3.1 21.1 321 332 A E - 0 0 82 -2,-0.1 2,-0.3 -284,-0.0 -1,-0.1 -0.690 39.7-174.0 -80.2 116.8 -21.9 1.0 18.3 322 333 A E - 0 0 93 -2,-0.7 -3,-0.0 1,-0.1 0, 0.0 -0.758 30.3 -89.5-106.9 158.0 -24.7 -0.6 16.3 323 334 A E - 0 0 122 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.186 24.3-129.2 -60.7 151.9 -24.2 -3.1 13.5 324 335 A I - 0 0 39 2,-0.0 2,-0.4 -220,-0.0 -1,-0.1 -0.891 33.7-150.2 -98.6 94.9 -23.7 -2.2 9.9 325 336 A R - 0 0 185 -2,-0.8 2,-0.5 -222,-0.1 -222,-0.1 -0.543 16.9-174.5 -73.3 123.3 -26.4 -4.5 8.4 326 337 A V - 0 0 73 -2,-0.4 -2,-0.0 -223,-0.1 2,-0.0 -0.966 15.9-146.2-119.5 112.9 -25.8 -5.7 4.9 327 338 A X - 0 0 90 -2,-0.5 -225,-0.2 2,-0.2 -224,-0.1 -0.307 15.9-132.9 -73.8 157.1 -28.6 -7.7 3.4 328 339 A I S S+ 0 0 145 -226,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.708 94.0 66.8 -78.8 -23.0 -28.2 -10.7 1.1 329 340 A N S S- 0 0 88 -227,-0.0 2,-0.2 1,-0.0 -2,-0.2 -0.828 93.1-113.9-100.8 136.4 -30.9 -9.1 -1.1 330 341 A E - 0 0 121 -2,-0.4 2,-0.4 1,-0.0 3,-0.2 -0.501 32.8-151.7 -67.6 133.2 -30.4 -5.8 -3.0 331 342 A K - 0 0 35 -229,-2.8 -266,-0.1 -230,-0.2 -230,-0.0 -0.882 64.9 -6.8-108.3 141.1 -32.7 -3.0 -1.7 332 343 A C S > S+ 0 0 30 -2,-0.4 4,-1.5 1,-0.1 -1,-0.2 0.822 73.5 163.2 52.1 42.7 -34.1 -0.1 -3.6 333 344 A G T 4 + 0 0 26 -3,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.903 69.6 45.7 -58.8 -47.2 -32.0 -0.8 -6.7 334 345 A K T >4 S+ 0 0 182 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.904 109.2 53.8 -64.5 -45.5 -33.9 1.4 -9.1 335 346 A E T 34 S+ 0 0 82 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.846 118.5 34.9 -63.4 -34.8 -34.2 4.4 -6.8 336 347 A F T >< S+ 0 0 2 -4,-1.5 3,-1.1 1,-0.2 -1,-0.3 0.073 78.1 119.2-110.9 24.3 -30.4 4.6 -6.3 337 348 A S T < S+ 0 0 77 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.807 76.7 51.7 -60.1 -31.8 -29.2 3.4 -9.7 338 349 A E T 3 0 0 122 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.679 360.0 360.0 -78.5 -19.4 -27.4 6.7 -10.4 339 350 A F < 0 0 4 -3,-1.1 -239,-0.1 -315,-0.1 -315,-0.1 -0.432 360.0 360.0 -66.4 360.0 -25.5 6.6 -7.0 340 !* 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 0.0 341 3 B X 0 0 68 0, 0.0 2,-0.1 0, 0.0 -301,-0.0 0.000 360.0 360.0 360.0-150.2 -31.3 13.5 9.1 342 4 B X + 0 0 193 -301,-0.3 2,-0.6 1,-0.1 -301,-0.2 -0.397 360.0 114.8 59.6-130.7 -32.3 13.3 12.7 343 5 B X + 0 0 70 -303,-0.4 2,-0.6 -2,-0.1 -1,-0.1 -0.634 13.7 144.3 81.5-119.1 -30.5 16.1 14.7 344 6 B X + 0 0 85 -2,-0.6 2,-0.8 1,-0.0 -1,-0.0 -0.710 25.6 139.4 76.7-114.0 -32.6 18.9 16.2 345 7 B X 0 0 190 -2,-0.6 -1,-0.0 1,-0.2 -2,-0.0 -0.798 360.0 360.0 88.8-109.6 -30.6 19.5 19.4 346 8 B X 0 0 67 -2,-0.8 -1,-0.2 0, 0.0 -2,-0.0 0.317 360.0 360.0 95.4 360.0 -30.4 23.2 20.1