==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-NOV-11 3UKJ . COMPND 2 MOLECULE: EXTRACELLULAR LIGAND-BINDING RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR C.CHANG,J.MACK,S.ZERBS,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 0 1 0 0 2 0 1 2 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 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 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 29 A N 0 0 138 0, 0.0 302,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.5 27.1 67.4 -17.7 2 30 A E - 0 0 95 34,-0.1 2,-0.5 36,-0.1 36,-0.2 -0.215 360.0-129.3 -60.2 151.6 25.5 65.9 -14.5 3 31 A I E -a 38 0A 0 34,-2.5 36,-3.1 299,-0.1 2,-0.5 -0.936 26.2-141.6-105.8 127.8 25.9 67.4 -11.0 4 32 A T E -a 39 0A 15 -2,-0.5 62,-2.5 60,-0.2 63,-1.7 -0.866 19.1-176.4-105.5 124.6 27.0 64.7 -8.6 5 33 A V E -ab 40 67A 0 34,-2.7 36,-2.2 -2,-0.5 2,-0.5 -0.968 9.5-158.9-122.6 117.1 25.6 64.6 -5.0 6 34 A G E -ab 41 68A 0 61,-2.1 63,-2.0 -2,-0.5 2,-0.5 -0.836 11.9-170.4 -97.4 130.2 27.0 62.0 -2.6 7 35 A I E -ab 42 69A 1 34,-3.5 36,-2.8 -2,-0.5 2,-0.5 -0.977 10.4-174.1-128.1 122.1 24.7 61.2 0.4 8 36 A T E +ab 43 70A 1 61,-3.0 63,-0.6 -2,-0.5 2,-0.3 -0.972 19.9 158.3-114.9 123.6 25.6 59.2 3.4 9 37 A V E -a 44 0A 1 34,-2.2 36,-1.7 -2,-0.5 2,-0.8 -0.900 44.4-100.9-138.7 173.5 22.8 58.5 5.9 10 38 A T + 0 0 0 -2,-0.3 9,-0.9 34,-0.2 10,-0.4 -0.808 46.8 150.0-108.1 102.4 21.9 56.0 8.6 11 39 A T + 0 0 27 -2,-0.8 2,-0.3 8,-0.2 -1,-0.2 0.367 66.2 50.0-115.4 2.8 19.4 53.3 7.5 12 40 A T S S+ 0 0 71 3,-0.0 3,-0.4 8,-0.0 33,-0.1 -0.961 92.3 28.2-134.0 158.9 20.7 50.5 9.7 13 41 A G S > S- 0 0 47 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.375 111.4 -35.0 85.7-175.5 21.4 50.4 13.5 14 42 A P T 3 S+ 0 0 76 0, 0.0 182,-0.5 0, 0.0 3,-0.4 0.736 137.1 50.7 -52.4 -26.7 19.9 52.4 16.4 15 43 A A T >> S+ 0 0 11 -3,-0.4 3,-2.0 1,-0.2 4,-1.6 0.235 71.0 109.0-102.8 11.2 19.5 55.5 14.3 16 44 A A H <> + 0 0 19 -3,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.780 69.7 69.2 -51.1 -34.2 17.7 54.0 11.3 17 45 A A H 34 S+ 0 0 15 -3,-0.4 -1,-0.3 -4,-0.2 261,-0.1 0.733 106.6 39.8 -62.8 -16.2 14.6 55.8 12.4 18 46 A L H <> S+ 0 0 7 -3,-2.0 4,-1.3 -8,-0.2 -2,-0.2 0.877 119.0 41.6 -97.0 -45.5 16.3 59.0 11.4 19 47 A G H X S+ 0 0 0 -4,-1.6 4,-2.8 -9,-0.9 5,-0.2 0.775 104.8 64.2 -75.9 -31.9 18.1 58.0 8.2 20 48 A I H X S+ 0 0 59 -4,-2.5 4,-3.2 -10,-0.4 5,-0.2 0.967 106.3 43.2 -61.0 -48.8 15.3 56.0 6.6 21 49 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.901 113.1 55.2 -61.1 -33.5 13.0 59.0 6.3 22 50 A E H X S+ 0 0 0 -4,-1.3 4,-0.6 1,-0.2 -2,-0.2 0.937 113.2 39.7 -63.3 -42.4 15.9 61.0 5.0 23 51 A R H >< S+ 0 0 97 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.911 114.7 53.8 -70.8 -49.1 16.6 58.5 2.3 24 52 A N H >< S+ 0 0 20 -4,-3.2 3,-1.8 1,-0.2 4,-0.2 0.898 101.1 60.3 -54.9 -37.3 12.9 58.0 1.6 25 53 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.720 85.4 77.6 -66.3 -22.3 12.4 61.8 1.1 26 54 A L G X< S+ 0 0 6 -3,-1.2 3,-0.8 -4,-0.6 -1,-0.3 0.681 79.1 71.4 -60.0 -24.5 14.9 61.8 -1.8 27 55 A E G < S+ 0 0 98 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.829 101.1 46.6 -55.8 -26.0 12.1 60.3 -3.9 28 56 A F G < S+ 0 0 41 -3,-2.0 2,-0.2 -4,-0.2 -1,-0.2 0.359 91.8 93.7-106.4 3.0 10.4 63.8 -3.8 29 57 A V S < S- 0 0 12 -3,-0.8 2,-0.1 -4,-0.2 254,-0.1 -0.609 86.4 -85.3 -94.5 162.3 13.3 66.2 -4.5 30 58 A A - 0 0 30 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.339 30.0-169.7 -64.2 133.7 14.2 67.6 -7.9 31 59 A K S S+ 0 0 81 1,-0.2 7,-2.7 -2,-0.1 2,-0.4 0.296 78.1 54.0-106.0 7.0 16.5 65.4 -10.1 32 60 A E E +E 37 0B 106 5,-0.2 2,-0.4 -30,-0.0 -1,-0.2 -0.982 68.6 172.2-135.0 128.7 17.0 68.1 -12.6 33 61 A I E > -E 36 0B 9 3,-2.6 3,-2.0 -2,-0.4 257,-0.0 -0.999 64.9 -3.0-138.9 136.1 18.3 71.5 -11.4 34 62 A G T 3 S- 0 0 41 -2,-0.4 -1,-0.1 1,-0.3 256,-0.0 0.769 129.6 -57.5 63.0 18.7 19.5 74.5 -13.3 35 63 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.602 117.7 107.3 85.7 7.7 19.0 72.6 -16.6 36 64 A H E < S-E 33 0B 38 -3,-2.0 -3,-2.6 -34,-0.0 -1,-0.3 -0.957 71.8-114.4-116.1 145.0 21.4 69.8 -15.5 37 65 A P E -E 32 0B 48 0, 0.0 -34,-2.5 0, 0.0 2,-0.5 -0.394 26.7-133.2 -73.3 145.7 20.6 66.2 -14.4 38 66 A I E -a 3 0A 18 -7,-2.7 2,-0.6 -36,-0.2 -34,-0.2 -0.902 12.1-159.6 -97.3 127.6 21.4 65.3 -10.8 39 67 A K E -a 4 0A 102 -36,-3.1 -34,-2.7 -2,-0.5 2,-0.4 -0.964 13.7-164.5-104.6 113.2 23.2 62.0 -10.2 40 68 A X E -a 5 0A 51 -2,-0.6 2,-0.5 -36,-0.2 -34,-0.2 -0.829 11.5-166.9 -99.1 137.8 22.7 60.9 -6.5 41 69 A I E -a 6 0A 42 -36,-2.2 -34,-3.5 -2,-0.4 2,-0.5 -0.998 13.6-171.1-123.1 114.9 24.8 58.3 -4.8 42 70 A V E +a 7 0A 53 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.972 7.2 174.6-118.0 122.0 23.2 57.2 -1.6 43 71 A L E -a 8 0A 68 -36,-2.8 -34,-2.2 -2,-0.5 2,-0.3 -0.928 28.2-126.5-129.1 142.2 25.0 55.0 0.9 44 72 A D E -a 9 0A 60 -2,-0.3 -34,-0.2 -36,-0.2 11,-0.0 -0.683 18.8-178.3 -75.7 147.9 24.2 53.7 4.4 45 73 A D > - 0 0 6 -36,-1.7 3,-2.2 -2,-0.3 7,-0.3 0.338 36.2-130.5-123.6 -0.4 26.8 54.3 7.1 46 74 A G T 3 - 0 0 29 -37,-0.5 -31,-0.2 1,-0.3 -36,-0.1 0.646 61.9 -73.1 59.7 15.8 25.0 52.5 9.9 47 75 A G T 3 S+ 0 0 18 1,-0.3 -1,-0.3 -38,-0.1 30,-0.1 0.460 98.3 139.9 77.9 0.1 25.7 55.6 12.1 48 76 A D <> - 0 0 80 -3,-2.2 4,-2.5 1,-0.1 -1,-0.3 -0.649 51.0-146.5 -82.6 127.4 29.3 54.6 12.3 49 77 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.905 98.8 50.7 -61.2 -36.3 31.8 57.5 12.0 50 78 A T H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.912 111.7 47.4 -66.6 -46.6 34.5 55.4 10.2 51 79 A A H > S+ 0 0 31 -6,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.898 111.8 50.8 -58.1 -42.0 31.9 54.2 7.6 52 80 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -7,-0.3 -2,-0.2 0.890 109.6 50.5 -61.3 -42.3 30.7 57.7 7.1 53 81 A T H X S+ 0 0 49 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.947 111.8 48.3 -59.2 -46.9 34.3 58.9 6.6 54 82 A T H X S+ 0 0 42 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.932 112.3 47.6 -61.7 -47.8 34.8 56.1 4.1 55 83 A N H X S+ 0 0 16 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.947 114.6 46.2 -57.2 -49.2 31.6 57.0 2.2 56 84 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.902 110.9 52.9 -63.0 -40.3 32.4 60.7 2.2 57 85 A R H X S+ 0 0 91 -4,-3.0 4,-1.6 1,-0.2 5,-0.3 0.913 111.1 46.6 -62.6 -45.8 36.0 60.0 1.0 58 86 A R H <>S+ 0 0 131 -4,-2.4 5,-2.1 -5,-0.2 4,-0.4 0.879 109.6 53.7 -65.0 -35.2 34.8 57.9 -1.9 59 87 A F H <5S+ 0 0 3 -4,-2.4 6,-2.4 1,-0.2 -2,-0.2 0.937 112.9 43.9 -62.1 -44.0 32.2 60.5 -2.9 60 88 A V H <5S+ 0 0 10 -4,-2.3 -1,-0.2 4,-0.2 -2,-0.2 0.763 128.4 23.7 -76.3 -28.3 34.8 63.2 -3.1 61 89 A T T <5S+ 0 0 75 -4,-1.6 3,-0.4 -5,-0.2 -3,-0.2 0.853 130.9 30.1 -99.2 -67.3 37.5 61.2 -4.9 62 90 A E T 5S+ 0 0 152 -4,-0.4 -3,-0.2 -5,-0.3 -4,-0.1 0.891 131.7 34.7 -68.4 -40.5 36.1 58.3 -6.9 63 91 A S S S- 0 0 8 22,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.830 90.4 -99.9-135.0 167.4 23.4 61.6 13.8 74 102 A T H > S+ 0 0 2 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.908 108.7 55.6 -64.3 -45.4 26.1 63.8 15.1 75 103 A P H > S+ 0 0 31 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.934 114.4 38.4 -60.4 -46.6 29.2 61.5 15.3 76 104 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.843 113.5 58.3 -72.4 -23.1 29.1 60.4 11.6 77 105 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.910 104.3 50.3 -68.9 -40.5 28.2 64.0 10.6 78 106 A V H X S+ 0 0 22 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.934 110.0 52.1 -56.0 -46.7 31.3 65.3 12.3 79 107 A A H X S+ 0 0 11 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.927 111.0 46.2 -56.7 -47.7 33.3 62.6 10.3 80 108 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.907 110.7 52.3 -62.5 -47.2 31.7 63.8 7.0 81 109 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.884 106.5 54.4 -56.7 -39.0 32.3 67.5 7.8 82 110 A N H X S+ 0 0 71 -4,-2.3 4,-1.3 2,-0.2 5,-0.2 0.957 110.2 46.1 -64.3 -39.4 36.0 66.7 8.5 83 111 A V H >X S+ 0 0 4 -4,-2.1 4,-3.3 1,-0.2 3,-0.5 0.943 112.2 51.7 -63.1 -45.6 36.3 65.1 5.0 84 112 A A H 3X>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-1.3 0.868 110.0 48.3 -58.0 -40.7 34.5 68.0 3.4 85 113 A N H 3<5S+ 0 0 30 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.668 116.5 41.9 -80.7 -22.9 36.8 70.6 5.0 86 114 A E H <<5S+ 0 0 130 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.860 120.8 40.2 -83.1 -48.2 40.0 68.8 4.0 87 115 A A H <5S- 0 0 26 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.623 108.5-125.9 -78.6 -13.7 38.9 67.8 0.5 88 116 A Q T <5 + 0 0 82 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.981 58.1 141.9 71.1 55.4 37.2 71.2 -0.0 89 117 A V < - 0 0 0 -5,-2.1 -1,-0.2 -6,-0.1 -22,-0.1 -0.997 58.2-104.4-128.4 130.4 33.7 70.1 -1.0 90 118 A P - 0 0 1 0, 0.0 -22,-2.7 0, 0.0 2,-0.4 -0.347 39.9-164.3 -53.8 132.6 30.4 71.7 0.0 91 119 A H E -cd 68 107A 1 15,-2.7 17,-2.4 -24,-0.2 2,-0.7 -0.996 14.6-159.2-125.6 125.5 28.7 69.6 2.7 92 120 A I E -cd 69 108A 4 -24,-2.3 -22,-2.2 -2,-0.4 2,-0.3 -0.955 21.2-147.0-105.2 108.2 25.1 69.8 3.8 93 121 A A E - d 0 109A 0 15,-3.4 17,-2.6 -2,-0.7 -22,-0.2 -0.652 15.0-166.0 -75.9 137.6 24.8 68.3 7.2 94 122 A L S S+ 0 0 3 -23,-0.6 -23,-0.2 -2,-0.3 187,-0.1 0.362 75.5 50.0-104.9 3.9 21.6 66.4 8.2 95 123 A A S S- 0 0 3 -25,-0.3 -22,-0.1 -22,-0.1 15,-0.1 -0.972 94.9 -99.7-133.1 150.6 22.3 66.3 12.0 96 124 A P + 0 0 13 0, 0.0 -18,-0.1 0, 0.0 -19,-0.1 -0.243 47.7 173.4 -66.6 149.9 23.4 69.1 14.3 97 125 A L - 0 0 2 -20,-0.1 2,-0.6 -4,-0.1 17,-0.1 -0.976 42.4 -88.5-151.5 160.3 27.1 69.3 15.1 98 126 A P - 0 0 35 0, 0.0 2,-1.1 0, 0.0 44,-0.0 -0.603 41.5-148.5 -67.4 116.4 29.7 71.5 16.8 99 127 A V + 0 0 46 -2,-0.6 236,-0.1 4,-0.1 -21,-0.0 -0.787 27.1 171.9 -94.5 95.3 30.7 73.9 14.1 100 128 A T >> - 0 0 41 -2,-1.1 4,-1.9 1,-0.0 3,-1.6 -0.417 52.6 -92.0 -88.9 176.3 34.4 74.6 14.9 101 129 A P H 3> S+ 0 0 119 0, 0.0 4,-0.5 0, 0.0 -1,-0.0 0.858 127.8 59.8 -58.5 -29.6 36.9 76.6 12.7 102 130 A E H 34 S+ 0 0 132 1,-0.2 -17,-0.0 2,-0.1 -3,-0.0 0.709 116.3 30.7 -66.3 -26.2 37.9 73.2 11.3 103 131 A R H <> S+ 0 0 43 -3,-1.6 4,-1.4 2,-0.1 3,-0.3 0.616 98.3 81.5-110.8 -20.9 34.3 72.6 10.0 104 132 A A H < S+ 0 0 21 -4,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.733 81.8 60.7 -68.5 -33.4 32.8 76.1 9.3 105 133 A K T < S+ 0 0 98 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.921 118.8 21.3 -62.4 -46.0 34.2 76.8 5.8 106 134 A W T 4 S+ 0 0 5 -3,-0.3 -15,-2.7 -25,-0.1 2,-0.4 0.602 109.1 77.0-105.4 -11.0 32.7 73.9 3.9 107 135 A S E < -d 91 0A 0 -4,-1.4 2,-0.3 -17,-0.2 -15,-0.2 -0.805 45.3-179.0-108.0 137.4 29.7 72.7 6.0 108 136 A V E -d 92 0A 0 -17,-2.4 -15,-3.4 -2,-0.4 2,-0.5 -0.862 23.1-132.7-122.5 159.9 26.2 74.1 6.4 109 137 A V E -d 93 0A 0 226,-2.6 -15,-0.2 -2,-0.3 -17,-0.1 -0.968 16.8-169.1-125.1 126.3 23.6 72.5 8.6 110 138 A X + 0 0 0 -17,-2.6 -16,-0.2 -2,-0.5 -1,-0.1 0.940 68.7 77.0 -78.6 -49.1 19.9 71.7 8.0 111 139 A P S S- 0 0 2 0, 0.0 -16,-0.1 0, 0.0 3,-0.1 -0.280 96.1 -93.0 -64.0 158.7 18.7 70.8 11.5 112 140 A Q - 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0 0 65 -3,-2.4 3,-0.1 1,-0.1 -4,-0.0 -0.338 40.9-171.2 -60.0 139.6 22.3 51.1 25.5 172 200 A T S S+ 0 0 135 1,-0.1 2,-0.3 28,-0.0 -1,-0.1 0.393 70.5 50.3-107.8 -5.8 19.0 49.4 26.1 173 201 A S + 0 0 71 1,-0.0 -1,-0.1 31,-0.0 27,-0.0 -0.979 44.4 176.1-125.0 148.0 18.8 50.1 29.8 174 202 A V > + 0 0 2 -2,-0.3 4,-2.9 26,-0.1 5,-0.2 -0.095 41.2 130.1-134.2 33.3 19.2 53.4 31.7 175 203 A A H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.879 71.6 45.8 -52.7 -52.0 18.3 52.0 35.1 176 204 A G H > S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.856 114.9 47.6 -66.2 -37.4 21.4 53.4 37.0 177 205 A Q H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 112.0 49.8 -69.3 -43.3 21.0 56.8 35.5 178 206 A V H X S+ 0 0 3 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.896 104.7 58.2 -63.6 -38.9 17.2 56.9 36.3 179 207 A L H X S+ 0 0 120 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.946 110.5 44.1 -54.4 -47.1 17.8 55.8 39.9 180 208 A K H X S+ 0 0 119 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.878 113.5 49.0 -68.2 -40.9 20.0 58.9 40.3 181 209 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.903 112.0 49.4 -65.2 -42.5 17.7 61.3 38.5 182 210 A V H < S+ 0 0 46 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.906 109.6 51.5 -62.6 -39.2 14.7 60.0 40.6 183 211 A A H < S+ 0 0 80 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.877 110.2 48.9 -66.9 -37.7 16.6 60.5 43.9 184 212 A A H < S- 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.810 92.5-160.1 -69.1 -27.9 17.5 64.1 42.9 185 213 A N < - 0 0 105 -4,-1.6 -3,-0.1 -5,-0.1 -53,-0.1 0.901 11.6-170.8 46.0 58.5 13.8 64.7 42.1 186 214 A P - 0 0 1 0, 0.0 -53,-0.2 0, 0.0 26,-0.1 -0.322 33.3-117.7 -70.8 157.6 14.3 67.8 39.9 187 215 A D S S+ 0 0 60 -55,-0.5 26,-1.8 1,-0.1 2,-0.3 0.794 96.8 12.6 -61.3 -33.2 11.1 69.7 38.8 188 216 A A E -gh 133 213C 0 -56,-1.4 -54,-2.2 24,-0.2 2,-0.4 -0.974 66.6-149.2-141.6 156.2 11.9 68.8 35.2 189 217 A I E -gh 134 214C 0 24,-2.2 26,-2.9 -2,-0.3 2,-0.5 -0.999 7.3-151.0-130.7 134.5 14.2 66.5 33.2 190 218 A L E -gh 135 215C 0 -56,-2.7 -54,-2.2 -2,-0.4 2,-0.6 -0.907 9.3-153.5-101.7 129.9 15.7 67.2 29.8 191 219 A V E -gh 136 216C 0 24,-2.6 2,-0.9 -2,-0.5 26,-0.8 -0.909 3.2-162.7-104.3 118.4 16.5 64.1 27.6 192 220 A G E +g 137 0C 0 -56,-2.8 -54,-2.2 -2,-0.6 2,-0.2 -0.734 52.2 92.4-101.5 82.3 19.3 64.7 25.1 193 221 A A - 0 0 0 -2,-0.9 26,-0.3 -56,-0.2 2,-0.3 -0.744 57.4-129.3-151.6-165.5 18.8 61.8 22.7 194 222 A S >> - 0 0 9 -2,-0.2 3,-0.9 26,-0.1 4,-0.9 -0.987 54.1 -10.3-155.5 159.1 17.1 60.9 19.4 195 223 A G H >> S- 0 0 3 24,-3.1 3,-0.9 -2,-0.3 4,-0.7 -0.093 123.2 -7.7 52.7-138.5 14.9 58.4 17.7 196 224 A T H >> S+ 0 0 54 -182,-0.5 3,-0.9 1,-0.3 4,-0.6 0.849 134.0 60.0 -62.4 -34.6 14.2 55.2 19.6 197 225 A A H X4 S+ 0 0 11 -3,-0.9 3,-0.8 -183,-0.2 -1,-0.3 0.812 94.2 63.1 -63.0 -35.3 16.7 56.0 22.3 198 226 A A H S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.856 113.1 62.5 -70.5 -27.6 14.4 57.6 29.4 202 230 A Q H X S+ 0 0 0 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.969 112.6 34.1 -57.1 -50.0 10.7 58.7 28.8 203 231 A T H X S+ 0 0 27 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.925 117.8 53.1 -73.2 -40.6 9.3 55.2 29.7 204 232 A A H X S+ 0 0 18 -4,-2.4 4,-1.6 -5,-0.3 6,-0.2 0.936 109.2 49.0 -66.7 -39.9 11.9 54.4 32.4 205 233 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.2 -1,-0.2 0.925 114.4 44.1 -62.3 -44.9 11.3 57.7 34.2 206 234 A R H ><5S+ 0 0 66 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.931 110.6 54.9 -71.1 -38.4 7.5 57.3 34.3 207 235 A E H 3<5S+ 0 0 122 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 106.2 52.8 -61.6 -27.3 7.7 53.7 35.2 208 236 A R T 3<5S- 0 0 153 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.277 125.1-100.2 -96.1 7.1 9.9 54.6 38.2 209 237 A G T < 5 + 0 0 46 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.596 62.5 160.9 91.3 17.2 7.3 57.1 39.5 210 238 A Y < - 0 0 3 -5,-2.4 -1,-0.3 -6,-0.2 -28,-0.0 -0.532 13.1-179.8 -70.7 131.1 8.8 60.4 38.2 211 239 A N + 0 0 151 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.262 42.8 104.9-116.0 8.2 6.1 63.1 38.2 212 240 A G S S- 0 0 14 1,-0.1 -24,-0.2 -26,-0.1 2,-0.2 -0.171 82.7 -80.3 -79.2 173.6 8.0 66.1 36.9 213 241 A L E -h 188 0C 55 -26,-1.8 -24,-2.2 23,-0.0 2,-0.5 -0.595 42.3-148.1 -72.7 142.2 7.8 67.6 33.4 214 242 A I E -h 189 0C 0 21,-0.2 23,-2.3 -2,-0.2 2,-0.4 -0.973 9.2-161.0-117.0 130.5 9.9 65.8 30.8 215 243 A Y E -hi 190 237C 0 -26,-2.9 -24,-2.6 -2,-0.5 2,-0.3 -0.907 4.3-164.0-112.7 139.5 11.5 67.7 27.9 216 244 A Q E -hi 191 238C 0 21,-3.0 23,-1.9 -2,-0.4 -24,-0.1 -0.896 14.9-124.9-123.6 150.0 12.7 66.2 24.6 217 245 A T > - 0 0 0 -26,-0.8 3,-1.9 -2,-0.3 4,-0.2 -0.327 37.9 -95.7 -78.4 175.6 14.9 67.5 21.8 218 246 A H G > S+ 0 0 5 1,-0.3 3,-1.0 2,-0.2 23,-0.2 0.596 116.1 79.5 -72.0 -11.3 14.2 67.8 18.1 219 247 A G G 3 S+ 0 0 7 -26,-0.3 -24,-3.1 1,-0.2 -1,-0.3 0.568 90.6 54.2 -64.2 -15.8 15.9 64.4 17.8 220 248 A A G < S+ 0 0 1 -3,-1.9 2,-2.3 -26,-0.3 5,-0.5 0.476 75.3 118.1 -97.8 -0.3 12.7 62.8 19.0 221 249 A A < + 0 0 0 -3,-1.0 56,-2.6 18,-0.2 57,-0.3 -0.308 49.8 82.3 -83.1 72.7 10.4 64.4 16.4 222 250 A S S >> S- 0 0 2 -2,-2.3 3,-1.0 54,-0.2 4,-0.5 -0.942 91.3 -97.7-153.2 169.7 8.9 61.5 14.5 223 251 A X H >> S+ 0 0 61 52,-0.4 4,-2.2 -2,-0.3 3,-0.6 0.799 110.5 79.8 -66.9 -14.8 6.0 59.1 15.1 224 252 A D H 3> S+ 0 0 35 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.837 87.0 57.8 -59.4 -37.2 8.5 56.5 16.5 225 253 A F H <> S+ 0 0 1 -3,-1.0 4,-2.8 -5,-0.5 5,-0.3 0.921 109.7 41.6 -60.9 -46.7 8.6 58.4 19.8 226 254 A I H < S+ 0 0 5 -4,-2.8 3,-1.9 -5,-0.3 -3,-0.2 0.752 81.1 173.4 -66.6 -31.8 6.8 55.6 24.6 230 258 A G G >< S- 0 0 37 -4,-1.6 3,-2.0 -5,-0.3 4,-0.3 -0.238 70.3 -1.4 60.9-129.7 3.0 54.9 24.5 231 259 A K G > S+ 0 0 181 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.702 127.6 68.8 -64.5 -26.2 1.2 56.4 27.5 232 260 A S G < S+ 0 0 20 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.778 90.0 65.3 -66.9 -22.5 4.6 57.7 29.0 233 261 A A G X S+ 0 0 0 -3,-2.0 3,-2.0 -7,-0.2 115,-0.2 0.723 74.6 114.3 -69.4 -22.1 4.7 60.1 26.0 234 262 A E T < S+ 0 0 59 -3,-1.1 115,-0.2 -4,-0.3 -3,-0.0 -0.176 83.6 9.4 -55.4 137.9 1.7 62.1 27.2 235 263 A G T 3 S+ 0 0 36 113,-2.9 -1,-0.3 1,-0.2 -21,-0.2 0.468 87.8 150.4 75.3 -3.5 2.4 65.7 28.3 236 264 A V < - 0 0 0 -3,-2.0 2,-0.5 112,-0.1 112,-0.4 -0.292 41.9-137.8 -54.9 146.4 6.0 65.7 27.0 237 265 A L E +i 215 0C 10 -23,-2.3 -21,-3.0 110,-0.1 2,-0.4 -0.962 29.3 179.6-108.0 125.5 7.4 69.0 25.8 238 266 A X E -iJ 216 346C 0 108,-2.8 108,-3.0 -2,-0.5 -21,-0.2 -0.978 27.2-135.3-134.9 126.2 9.4 68.7 22.6 239 267 A A E + J 0 345C 0 -23,-1.9 2,-0.3 -2,-0.4 -19,-0.3 -0.509 38.6 170.8 -73.3 138.5 11.2 71.1 20.4 240 268 A S E - J 0 344C 0 104,-2.1 104,-2.8 -2,-0.2 -22,-0.1 -0.995 36.6-106.1-145.4 155.1 10.4 70.5 16.7 241 269 A G > - 0 0 0 -2,-0.3 3,-1.5 102,-0.2 102,-0.2 -0.464 41.4-110.2 -67.9 159.2 10.9 72.0 13.3 242 270 A P G > S+ 0 0 5 0, 0.0 3,-2.1 0, 0.0 83,-0.1 0.624 105.8 84.5 -70.3 -14.2 7.8 73.5 11.7 243 271 A V G 3 S+ 0 0 0 1,-0.3 82,-0.1 2,-0.1 33,-0.1 0.702 78.1 70.3 -60.7 -17.7 7.5 70.6 9.1 244 272 A X G < S+ 0 0 16 -3,-1.5 -1,-0.3 1,-0.3 3,-0.1 0.760 115.4 19.8 -72.7 -16.6 5.6 68.8 11.8 245 273 A D < + 0 0 37 -3,-2.1 4,-0.3 -4,-0.1 -1,-0.3 -0.412 62.4 147.9-152.3 67.8 2.7 71.2 11.4 246 274 A P S > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 14,-0.1 0.874 76.0 65.0 -69.1 -28.6 2.5 73.1 8.1 247 275 A E T 3 S+ 0 0 100 1,-0.3 -2,-0.1 -3,-0.1 9,-0.0 0.852 100.4 51.9 -57.4 -39.4 -1.3 73.1 8.3 248 276 A G T 3 S+ 0 0 46 -3,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.564 91.1 102.4 -75.8 -14.3 -1.2 75.2 11.4 249 277 A Q S < S- 0 0 28 -3,-1.5 2,-0.2 -4,-0.3 0, 0.0 -0.373 80.2-106.4 -73.2 152.6 1.0 77.8 9.8 250 278 A N > - 0 0 111 1,-0.1 3,-2.5 -2,-0.1 6,-0.2 -0.532 29.7-117.8 -66.1 144.7 -0.2 81.2 8.5 251 279 A D T 3 S+ 0 0 137 1,-0.3 6,-0.2 -2,-0.2 -1,-0.1 0.726 115.0 66.8 -56.5 -19.0 -0.3 81.4 4.7 252 280 A S T 3 S+ 0 0 93 4,-0.1 2,-0.4 3,-0.0 -1,-0.3 0.606 75.4 104.1 -83.0 -2.6 2.3 84.2 5.2 253 281 A A X> - 0 0 31 -3,-2.5 3,-1.6 1,-0.2 4,-0.5 -0.592 66.7-147.3 -83.6 123.7 4.9 81.7 6.5 254 282 A L T 34 S+ 0 0 96 -2,-0.4 -1,-0.2 1,-0.3 72,-0.1 0.742 97.6 59.9 -63.1 -12.8 7.6 81.0 3.8 255 283 A T T 3> S+ 0 0 6 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.623 85.9 78.9 -88.5 -15.7 7.8 77.4 5.3 256 284 A K H <> S+ 0 0 32 -3,-1.6 4,-3.2 -6,-0.2 5,-0.2 0.969 91.5 45.7 -62.9 -57.2 4.2 76.5 4.7 257 285 A K H X S+ 0 0 176 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.927 116.3 44.4 -53.7 -49.9 4.2 75.7 1.0 258 286 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 66,-0.2 0.872 113.9 51.9 -63.8 -38.8 7.4 73.5 1.1 259 287 A G H X S+ 0 0 0 -4,-2.0 4,-2.8 64,-0.3 5,-0.3 0.928 111.7 45.8 -57.7 -49.3 6.1 71.8 4.3 260 288 A L H X S+ 0 0 62 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.928 112.4 51.9 -62.7 -38.7 2.8 71.0 2.6 261 289 A E H X S+ 0 0 103 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.958 114.5 41.7 -63.0 -48.7 4.6 69.8 -0.6 262 290 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.943 116.4 46.6 -63.5 -52.0 6.8 67.4 1.3 263 291 A N H X S+ 0 0 4 -4,-2.8 4,-3.4 2,-0.2 5,-0.4 0.888 109.8 52.8 -65.3 -36.6 4.2 66.1 3.7 264 292 A T H X S+ 0 0 91 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.958 115.2 42.2 -62.5 -43.5 1.6 65.4 1.0 265 293 A A H X S+ 0 0 31 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.929 119.3 43.9 -65.2 -47.6 4.1 63.4 -1.0 266 294 A Y H X S+ 0 0 10 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.935 116.3 43.9 -67.8 -50.1 5.5 61.6 2.0 267 295 A E H X S+ 0 0 37 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.809 108.3 59.0 -72.9 -23.4 2.3 60.8 3.8 268 296 A T H < S+ 0 0 115 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.936 117.6 33.2 -65.1 -41.6 0.6 59.7 0.5 269 297 A K H < S+ 0 0 113 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.931 130.8 30.0 -77.7 -44.1 3.3 57.1 0.1 270 298 A Y H < S- 0 0 89 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.345 108.4-114.4-106.7 -3.9 4.1 56.1 3.7 271 299 A G >< - 0 0 22 -4,-1.7 3,-1.5 -5,-0.3 -1,-0.3 -0.153 52.3 -16.5 105.8 178.9 0.8 56.6 5.4 272 300 A P T 3 S+ 0 0 116 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 -0.212 125.0 2.1 -61.7 141.7 -0.9 58.8 8.1 273 301 A N T 3 S+ 0 0 95 1,-0.1 -50,-0.3 -51,-0.0 -2,-0.0 0.645 87.1 132.1 59.2 19.0 1.3 60.8 10.5 274 302 A S < + 0 0 28 -3,-1.5 -1,-0.1 -11,-0.1 -51,-0.1 0.582 34.5 116.1 -82.8 -0.3 4.5 59.5 8.7 275 303 A R - 0 0 32 -4,-0.2 -52,-0.4 -31,-0.1 2,-0.3 -0.191 45.1-178.1 -57.8 157.1 5.9 63.1 8.5 276 304 A S > - 0 0 3 -54,-0.1 4,-1.5 1,-0.1 -54,-0.2 -0.999 45.0-116.5-156.0 159.5 9.1 63.7 10.4 277 305 A Q H > S+ 0 0 1 -56,-2.6 4,-0.8 -2,-0.3 -55,-0.1 0.848 116.2 52.1 -51.9 -40.5 11.7 66.2 11.4 278 306 A F H >> S+ 0 0 8 -57,-0.3 4,-1.4 1,-0.2 3,-0.6 0.871 100.9 54.7 -80.7 -42.4 14.2 64.1 9.4 279 307 A A H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.891 104.7 61.7 -55.1 -35.4 12.4 63.8 6.1 280 308 A G H 3X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 44,-0.3 0.878 99.6 53.5 -55.8 -40.8 12.4 67.6 6.4 281 309 A H H X S+ 0 0 5 -4,-2.0 4,-1.3 -5,-0.2 3,-0.6 0.952 112.3 48.2 -67.0 -44.2 14.1 67.6 1.3 284 312 A D H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.807 100.6 64.1 -65.7 -32.5 15.3 71.0 2.5 285 313 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.878 104.8 47.7 -61.4 -38.5 18.9 70.3 1.4 286 314 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.6 0.944 110.1 49.5 -62.4 -49.2 19.0 74.8 -0.9 289 317 A L H 3X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.852 103.7 60.3 -58.2 -37.1 20.6 73.2 -3.9 290 318 A E H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.3 41.4 -64.1 -26.6 17.9 74.6 -6.1 291 319 A R H S+ 0 0 41 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.900 113.6 50.6 -62.8 -27.4 21.9 78.0 -10.9 295 323 A V H >X S+ 0 0 48 -4,-0.7 3,-1.4 1,-0.2 4,-0.5 0.967 109.9 48.0 -72.2 -40.1 24.2 80.6 -9.2 296 324 A A H >X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.3 3,-1.3 0.874 104.6 61.6 -68.2 -35.3 27.3 78.4 -9.3 297 325 A L H 3< S+ 0 0 40 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.681 88.1 72.1 -63.6 -23.4 26.6 77.5 -13.0 298 326 A K H << S+ 0 0 169 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.887 118.2 15.6 -62.0 -26.8 27.0 81.2 -13.9 299 327 A T H << S+ 0 0 91 -3,-1.3 2,-0.3 -4,-0.5 -2,-0.2 0.464 125.8 34.8-124.1 -10.0 30.8 80.9 -13.3 300 328 A A < - 0 0 11 -4,-1.4 -1,-0.1 7,-0.1 5,-0.0 -0.961 64.3-125.1-148.4 162.8 31.7 77.3 -13.2 301 329 A K > - 0 0 154 -2,-0.3 3,-0.8 1,-0.1 6,-0.4 -0.828 38.8 -94.0-117.8 144.2 31.0 73.8 -14.6 302 330 A P T 3 S+ 0 0 26 0, 0.0 -299,-0.1 0, 0.0 3,-0.1 -0.203 104.8 35.1 -51.7 144.6 30.0 70.7 -12.7 303 331 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 -239,-0.1 -300,-0.0 0.587 96.2 102.6 90.0 8.7 32.9 68.2 -11.8 304 332 A T S X> S- 0 0 50 -3,-0.8 4,-1.4 1,-0.1 3,-0.7 -0.900 79.1-120.6-117.4 163.4 35.5 70.9 -11.2 305 333 A Q H 3> S+ 0 0 74 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.907 114.2 61.0 -69.5 -30.8 37.0 72.4 -8.0 306 334 A E H 3> S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.807 100.4 54.2 -60.6 -36.0 35.8 75.8 -9.2 307 335 A F H <> S+ 0 0 0 -3,-0.7 4,-2.3 -6,-0.4 -1,-0.2 0.904 106.7 51.7 -67.7 -40.5 32.2 74.5 -9.1 308 336 A R H X S+ 0 0 30 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.947 113.2 44.9 -56.1 -49.2 32.8 73.4 -5.5 309 337 A E H X S+ 0 0 40 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.882 110.6 53.0 -60.2 -44.8 34.0 76.9 -4.7 310 338 A A H X S+ 0 0 12 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.867 110.6 47.9 -64.2 -39.5 31.2 78.6 -6.6 311 339 A I H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.918 110.7 52.1 -61.5 -45.0 28.6 76.6 -4.6 312 340 A R H X S+ 0 0 40 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.926 112.7 44.5 -59.2 -41.9 30.5 77.5 -1.3 313 341 A K H >X S+ 0 0 120 -4,-2.5 4,-1.4 1,-0.2 3,-0.7 0.867 109.3 56.4 -74.4 -29.6 30.3 81.2 -2.3 314 342 A A H 3X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.824 98.0 62.1 -69.1 -35.0 26.7 81.0 -3.4 315 343 A L H 3< S+ 0 0 4 -4,-1.9 15,-0.6 1,-0.2 -1,-0.3 0.789 108.4 44.2 -56.6 -30.5 25.8 79.6 0.1 316 344 A L H << S+ 0 0 33 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.779 118.6 41.0 -82.4 -31.9 27.0 83.0 1.4 317 345 A T H < S+ 0 0 93 -4,-1.4 2,-0.9 1,-0.1 -2,-0.2 0.784 95.3 81.2 -90.8 -27.3 25.3 85.2 -1.2 318 346 A E < - 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