==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC BIOSYNTHESIS 11-APR-01 1HB1 . COMPND 2 MOLECULE: ISOPENICILLIN N SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLA NIDULANS; . AUTHOR J.M.OGLE,I.J.CLIFTON,P.J.RUTLEDGE,J.M.ELKINS,N.I.BURZLAFF, . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 16.5 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 . 2 0.6 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 . 1 0.3 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 . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 24.4 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 0 1 1 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 1 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 4 A V 0 0 126 0, 0.0 236,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 126.5 -10.8 45.9 -2.8 2 5 A S - 0 0 60 234,-0.3 236,-2.2 232,-0.2 2,-0.3 -0.409 360.0-107.9 -70.9 151.1 -10.2 44.8 -6.4 3 6 A K B -a 238 0A 65 234,-0.2 236,-0.2 -2,-0.1 2,-0.2 -0.609 34.6-122.4 -81.1 134.6 -8.4 41.5 -7.1 4 7 A A - 0 0 11 234,-2.9 2,-0.8 -2,-0.3 236,-0.3 -0.496 25.4-107.6 -74.1 147.6 -4.9 41.9 -8.5 5 8 A N + 0 0 105 -2,-0.2 33,-0.4 234,-0.1 31,-0.3 -0.664 49.8 163.0 -79.0 105.0 -4.1 40.4 -11.9 6 9 A V - 0 0 21 -2,-0.8 33,-0.2 31,-0.1 34,-0.1 -0.811 23.4-154.3-128.5 91.7 -1.8 37.5 -11.0 7 10 A P - 0 0 48 0, 0.0 33,-3.0 0, 0.0 2,-0.6 -0.306 13.9-126.6 -65.6 153.1 -1.6 35.1 -13.9 8 11 A K E -f 40 0B 112 31,-0.2 2,-0.5 33,-0.1 33,-0.2 -0.911 29.4-166.3-100.0 118.2 -0.9 31.4 -13.5 9 12 A I E -f 41 0B 1 31,-3.0 33,-2.6 -2,-0.6 2,-0.8 -0.954 20.8-133.7-111.1 125.4 2.1 30.5 -15.7 10 13 A D E -f 42 0B 66 -2,-0.5 33,-0.2 31,-0.2 31,-0.1 -0.672 24.8-177.9 -76.8 108.4 3.0 26.9 -16.5 11 14 A V > + 0 0 0 31,-2.2 3,-1.8 -2,-0.8 4,-0.3 0.449 49.5 107.4 -92.8 6.6 6.8 27.0 -15.9 12 15 A S G > + 0 0 53 30,-0.4 3,-1.9 1,-0.3 4,-0.3 0.821 69.5 62.3 -57.7 -35.9 7.4 23.4 -16.9 13 16 A P G > S+ 0 0 34 0, 0.0 3,-1.6 0, 0.0 5,-0.4 0.783 90.5 70.1 -59.1 -25.4 9.1 24.3 -20.2 14 17 A L G < S+ 0 0 0 -3,-1.8 -2,-0.2 1,-0.3 141,-0.1 0.676 95.0 54.3 -68.9 -11.2 11.9 26.1 -18.3 15 18 A F G < S+ 0 0 105 -3,-1.9 -1,-0.3 -4,-0.3 -3,-0.1 0.530 108.9 61.0 -92.1 -10.9 13.1 22.7 -17.0 16 19 A G S < S- 0 0 30 -3,-1.6 6,-0.0 -4,-0.3 0, 0.0 -0.206 86.7-106.6-107.4-163.4 13.5 21.3 -20.5 17 20 A D S S+ 0 0 146 -2,-0.1 2,-1.0 4,-0.0 3,-0.1 0.141 73.0 113.8-115.9 20.5 15.2 21.8 -23.9 18 21 A D > - 0 0 92 -5,-0.4 4,-2.2 1,-0.2 5,-0.1 -0.803 44.0-172.2 -93.0 96.5 12.4 23.2 -26.1 19 22 A Q H > S+ 0 0 103 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.856 81.5 51.6 -61.9 -38.8 13.8 26.8 -26.7 20 23 A A H > S+ 0 0 49 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 110.2 49.4 -63.6 -42.9 10.7 28.1 -28.5 21 24 A A H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.907 109.3 53.4 -63.3 -39.1 8.5 26.9 -25.6 22 25 A K H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.897 105.8 52.7 -64.0 -39.1 10.8 28.6 -23.2 23 26 A M H X S+ 0 0 106 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.903 106.0 53.7 -64.3 -36.3 10.5 31.9 -25.0 24 27 A R H X S+ 0 0 155 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.888 111.0 46.6 -66.4 -33.5 6.7 31.7 -24.8 25 28 A V H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 3,-0.4 0.941 108.9 54.9 -69.8 -43.2 7.1 31.2 -21.0 26 29 A A H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.3 -2,-0.2 0.900 104.4 54.9 -56.3 -38.4 9.5 34.1 -20.9 27 30 A Q H X S+ 0 0 115 -4,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.894 107.1 49.9 -62.9 -40.9 7.0 36.4 -22.6 28 31 A Q H X S+ 0 0 70 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.885 111.0 49.1 -63.2 -41.5 4.4 35.5 -19.9 29 32 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.935 110.7 51.1 -61.6 -42.7 7.0 36.4 -17.2 30 33 A D H X S+ 0 0 16 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.939 110.8 48.2 -59.7 -47.7 7.7 39.7 -19.0 31 34 A A H X S+ 0 0 42 -4,-2.5 4,-1.1 2,-0.2 3,-0.2 0.942 113.8 45.6 -61.4 -45.9 4.0 40.6 -19.2 32 35 A A H ><>S+ 0 0 4 -4,-2.5 5,-2.4 1,-0.2 3,-0.6 0.920 112.2 52.0 -66.6 -36.0 3.5 39.8 -15.5 33 36 A S H 3<5S+ 0 0 5 -4,-2.8 230,-0.5 1,-0.3 -1,-0.2 0.775 111.8 46.2 -68.9 -29.6 6.6 41.7 -14.4 34 37 A R H 3<5S+ 0 0 139 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.595 118.3 44.6 -86.7 -16.9 5.5 44.8 -16.4 35 38 A D T <<5S- 0 0 98 -4,-1.1 -3,-0.1 -3,-0.6 -2,-0.1 0.596 135.2 -21.9 -93.7-112.0 2.0 44.6 -15.0 36 39 A T T 5S- 0 0 12 -31,-0.3 -3,-0.2 2,-0.2 -4,-0.1 0.731 83.0-122.1 -74.9 -23.2 1.3 43.9 -11.2 37 40 A G S + 0 0 96 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 -0.648 37.5 169.3 -81.3 90.2 5.5 18.6 -3.5 48 51 A V H > S+ 0 0 14 -2,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.772 71.0 60.3 -77.6 -27.0 4.0 21.6 -1.6 49 52 A Q H > S+ 0 0 128 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 108.4 45.8 -64.7 -41.8 1.5 19.6 0.4 50 53 A R H > S+ 0 0 115 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.916 110.6 53.4 -64.5 -42.8 4.4 17.6 1.9 51 54 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.948 111.0 46.9 -54.4 -49.1 6.3 20.9 2.5 52 55 A S H X S+ 0 0 27 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.922 113.3 48.1 -62.1 -39.6 3.2 22.2 4.4 53 56 A Q H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 113.1 46.1 -69.3 -43.0 2.8 19.1 6.4 54 57 A K H X S+ 0 0 65 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.912 114.1 49.9 -66.9 -36.8 6.4 18.8 7.5 55 58 A T H X S+ 0 0 2 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 0.920 110.1 49.9 -67.6 -40.8 6.5 22.5 8.3 56 59 A K H X S+ 0 0 107 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.932 107.4 54.4 -62.6 -42.3 3.3 22.1 10.4 57 60 A E H X S+ 0 0 95 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.899 113.4 43.4 -59.8 -39.7 4.8 19.2 12.3 58 61 A F H >X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 3,-1.0 0.956 114.6 46.9 -69.3 -53.5 7.8 21.3 13.2 59 62 A H H 3< S+ 0 0 4 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.839 115.2 46.4 -59.7 -37.6 5.9 24.5 14.1 60 63 A M H 3< S+ 0 0 88 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.587 117.6 41.1 -83.9 -12.7 3.4 22.7 16.3 61 64 A S H << S+ 0 0 61 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.618 84.3 104.7-108.8 -15.8 5.9 20.5 18.2 62 65 A I < - 0 0 11 -4,-2.1 70,-0.0 -5,-0.1 -4,-0.0 -0.389 61.5-144.2 -67.4 141.0 8.8 22.9 18.9 63 66 A T > - 0 0 53 1,-0.1 4,-2.2 -2,-0.0 3,-0.2 -0.651 23.6-106.9-104.1 165.1 8.8 24.0 22.5 64 67 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.886 119.7 56.6 -56.8 -38.0 9.7 27.3 24.2 65 68 A E H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.952 108.8 45.9 -58.8 -48.0 13.0 25.7 25.5 66 69 A E H > S+ 0 0 11 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.860 107.1 58.4 -64.6 -37.8 14.0 24.8 21.9 67 70 A K H X S+ 0 0 28 -4,-2.2 4,-0.7 2,-0.2 3,-0.3 0.915 108.1 45.4 -61.1 -43.2 13.1 28.2 20.6 68 71 A W H >< S+ 0 0 133 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.934 111.5 53.6 -63.3 -40.8 15.5 29.9 23.0 69 72 A D H 3< S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.774 118.8 34.0 -68.6 -21.0 18.2 27.4 22.2 70 73 A L H 3< S+ 0 0 12 -4,-1.5 17,-2.4 -3,-0.3 -1,-0.3 0.371 92.0 133.9-108.6 0.7 17.9 28.1 18.4 71 74 A A B << -h 87 0B 0 -3,-0.9 17,-0.2 -4,-0.7 11,-0.1 -0.206 55.0-119.2 -62.5 142.5 17.1 31.8 18.7 72 75 A I >> - 0 0 3 15,-2.4 3,-1.9 12,-0.1 4,-1.6 -0.233 38.2 -95.2 -70.5 169.3 18.8 34.5 16.6 73 76 A R T 34 S+ 0 0 116 9,-2.9 10,-0.1 6,-0.4 6,-0.1 0.792 119.8 68.0 -57.5 -33.9 20.8 37.2 18.3 74 77 A A T 34 S+ 0 0 59 8,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.786 116.0 27.1 -58.9 -28.5 17.9 39.7 18.3 75 78 A Y T <4 S+ 0 0 44 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.597 130.3 37.1-106.9 -21.3 16.2 37.4 20.9 76 79 A N >< - 0 0 23 -4,-1.6 3,-2.1 3,-0.1 -1,-0.2 -0.864 59.8-162.6-141.2 106.0 19.2 35.7 22.6 77 80 A K T 3 S+ 0 0 183 -2,-0.3 3,-0.3 1,-0.3 -4,-0.1 0.663 87.2 70.2 -62.5 -16.5 22.4 37.7 23.2 78 81 A E T 3 S+ 0 0 168 1,-0.2 2,-0.8 2,-0.1 -1,-0.3 0.683 88.5 68.4 -71.1 -22.4 24.4 34.5 23.7 79 82 A H X + 0 0 38 -3,-2.1 3,-1.8 1,-0.2 -6,-0.4 -0.437 55.9 155.8-101.2 63.6 24.1 33.8 19.9 80 83 A Q T 3 S+ 0 0 94 -2,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.738 70.9 56.5 -59.4 -27.7 26.2 36.5 18.4 81 84 A D T 3 S+ 0 0 126 -3,-0.2 2,-1.3 1,-0.2 3,-0.3 0.607 87.8 87.0 -78.6 -14.8 26.9 34.6 15.2 82 85 A Q < + 0 0 21 -3,-1.8 -9,-2.9 1,-0.2 -8,-0.4 -0.597 38.2 134.6 -94.7 85.5 23.1 34.2 14.5 83 86 A V S S+ 0 0 86 -2,-1.3 -1,-0.2 -11,-0.2 -9,-0.1 0.844 86.8 9.2 -91.0 -40.8 22.0 37.3 12.6 84 87 A R S S+ 0 0 14 -3,-0.3 2,-0.3 1,-0.1 17,-0.2 0.827 115.4 65.5-105.5 -50.9 20.0 35.5 9.9 85 88 A A S S+ 0 0 1 -4,-0.2 2,-0.3 15,-0.1 17,-0.2 -0.638 79.3 41.7 -90.9 137.6 19.6 31.8 10.7 86 89 A G E S- I 0 101B 0 15,-2.1 15,-2.4 -2,-0.3 2,-0.3 -0.908 90.9 -23.5 133.1-163.6 17.7 30.4 13.6 87 90 A Y E -hI 71 100B 0 -17,-2.4 -15,-2.4 -2,-0.3 2,-0.6 -0.686 39.5-158.5 -94.6 135.6 14.4 30.9 15.4 88 91 A Y E - I 0 99B 28 11,-3.1 11,-2.0 -2,-0.3 2,-0.1 -0.957 27.1-140.7-108.7 104.4 12.6 34.2 15.5 89 92 A L - 0 0 15 -2,-0.6 2,-0.1 9,-0.2 8,-0.1 -0.341 1.1-130.1 -76.6 150.6 10.3 34.2 18.6 90 93 A S - 0 0 28 6,-0.1 6,-0.2 -2,-0.1 8,-0.1 -0.429 14.5-141.0 -82.0 166.2 6.8 35.4 19.0 91 94 A I B >> -O 95 0C 79 4,-2.5 4,-3.3 -2,-0.1 3,-2.9 -0.845 21.9-131.2-131.2 92.2 6.0 37.7 21.9 92 95 A P T 34 S+ 0 0 117 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.167 92.9 17.8 -49.3 131.5 2.5 36.7 23.3 93 96 A G T 34 S+ 0 0 44 1,-0.1 102,-0.4 100,-0.0 103,-0.1 0.207 136.1 40.0 88.9 -15.5 0.4 39.8 23.8 94 97 A K T <4 S+ 0 0 138 -3,-2.9 2,-0.4 1,-0.3 -1,-0.1 0.613 116.4 25.9-131.3 -36.8 2.6 41.9 21.5 95 98 A K B < -O 91 0C 30 -4,-3.3 -4,-2.5 1,-0.1 -1,-0.3 -0.951 49.9-176.3-141.7 121.7 3.8 40.0 18.4 96 99 A A + 0 0 8 -2,-0.4 -1,-0.1 100,-0.2 -6,-0.1 0.875 56.8 86.4 -87.1 -40.2 2.1 37.0 16.8 97 100 A V + 0 0 26 99,-0.1 2,-0.3 110,-0.1 89,-0.2 -0.271 47.5 172.1 -67.1 146.6 4.4 35.9 14.0 98 101 A E E + J 0 185B 9 87,-1.8 87,-3.2 -8,-0.1 2,-0.3 -0.961 6.6 170.8-145.9 156.4 7.2 33.5 14.6 99 102 A S E -IJ 88 184B 4 -11,-2.0 -11,-3.1 -2,-0.3 2,-0.4 -0.982 30.0-130.3-160.8 172.0 9.6 31.7 12.2 100 103 A F E -IJ 87 183B 0 83,-1.3 83,-3.0 -2,-0.3 2,-0.4 -0.993 23.9-165.5-132.6 120.7 12.6 29.6 11.5 101 104 A C E +IJ 86 182B 4 -15,-2.4 -15,-2.1 -2,-0.4 2,-0.3 -0.902 8.0 177.7-110.4 141.2 15.2 30.7 8.9 102 105 A Y E - J 0 181B 2 79,-2.2 79,-2.6 -2,-0.4 2,-0.1 -0.965 10.0-154.8-139.4 154.2 17.9 28.6 7.3 103 106 A L - 0 0 0 -2,-0.3 77,-0.2 77,-0.2 75,-0.1 -0.337 51.6 -33.1-110.7-173.0 20.6 29.3 4.7 104 107 A N > - 0 0 0 75,-0.5 3,-2.3 73,-0.4 20,-0.3 -0.287 49.0-141.3 -46.0 122.7 22.6 27.2 2.2 105 108 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 35,-0.1 0.739 99.0 69.3 -61.7 -19.0 23.3 23.8 3.7 106 109 A N T 3 + 0 0 55 68,-0.3 2,-2.2 1,-0.1 -2,-0.1 0.599 69.3 98.4 -77.4 -7.0 26.8 24.0 2.1 107 110 A F < + 0 0 3 -3,-2.3 17,-0.5 15,-0.1 -1,-0.1 -0.554 58.6 157.5 -79.7 83.0 27.7 26.8 4.6 108 111 A T > - 0 0 52 -2,-2.2 3,-2.2 15,-0.1 6,-0.2 -0.494 60.7 -91.7 -99.6 170.2 29.5 24.3 6.8 109 112 A P T 3 S+ 0 0 88 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.848 127.1 48.4 -54.7 -32.0 32.2 25.1 9.3 110 113 A D T 3 S+ 0 0 125 4,-0.1 -3,-0.1 5,-0.1 5,-0.0 0.438 80.8 122.2 -87.8 -3.0 35.0 24.5 6.7 111 114 A H X> - 0 0 21 -3,-2.2 4,-2.8 1,-0.1 3,-0.7 -0.411 69.9-126.0 -62.9 139.0 33.3 26.7 4.0 112 115 A P H 3> S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.804 109.1 49.2 -56.4 -35.0 35.7 29.4 2.9 113 116 A R H 34>S+ 0 0 65 2,-0.2 5,-2.3 1,-0.2 4,-0.3 0.786 111.5 49.1 -76.4 -29.1 33.2 32.2 3.6 114 117 A I H X45S+ 0 0 27 -3,-0.7 3,-0.9 -6,-0.2 -1,-0.2 0.898 111.0 50.7 -74.4 -39.4 32.4 30.8 7.1 115 118 A Q H 3<5S+ 0 0 139 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.1 0.916 112.1 46.7 -63.8 -37.7 36.2 30.6 7.8 116 119 A A T 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.581 107.4-129.9 -78.8 -9.7 36.6 34.2 6.7 117 120 A K T < 5 - 0 0 166 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.837 38.0-176.9 61.1 41.7 33.6 35.3 8.8 118 121 A T > < - 0 0 16 -5,-2.3 3,-1.6 -6,-0.1 -1,-0.2 -0.491 32.5-100.1 -72.5 134.5 32.1 37.1 5.8 119 122 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 196,-0.1 -0.104 104.4 25.1 -54.0 146.6 28.9 38.9 6.7 120 123 A T T 3 S+ 0 0 16 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.177 97.1 104.8 81.1 -7.6 25.6 37.2 5.7 121 124 A H < + 0 0 14 -3,-1.6 2,-0.3 -8,-0.2 -1,-0.2 -0.858 43.9 158.6-103.2 128.7 27.2 33.7 5.7 122 125 A E - 0 0 17 -2,-0.5 2,-0.5 -18,-0.1 -15,-0.1 -0.981 43.9-111.3-144.8 154.6 26.3 31.5 8.7 123 126 A V - 0 0 63 -2,-0.3 -15,-0.1 -38,-0.1 -38,-0.1 -0.790 47.1-111.2 -85.4 126.7 26.2 27.8 9.6 124 127 A N - 0 0 18 -2,-0.5 2,-0.4 -17,-0.5 -22,-0.1 -0.202 23.6-141.8 -57.5 147.3 22.6 26.7 10.0 125 128 A V - 0 0 36 -55,-0.1 -39,-0.1 -3,-0.0 -55,-0.1 -0.871 20.5-169.2-109.2 139.2 21.3 25.7 13.5 126 129 A W - 0 0 39 -2,-0.4 3,-0.1 -24,-0.0 -24,-0.0 -0.968 22.7-110.8-130.0 151.1 18.9 22.8 13.8 127 130 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 9,-0.1 -0.166 59.1 -69.5 -68.6 168.1 16.6 21.3 16.5 128 131 A D >> - 0 0 89 1,-0.1 4,-1.7 2,-0.1 3,-0.6 -0.426 39.8-135.5 -63.0 134.8 17.5 18.0 18.1 129 132 A E T 34 S+ 0 0 91 1,-0.2 6,-0.2 2,-0.2 3,-0.1 0.889 103.1 54.2 -60.3 -39.5 17.0 15.1 15.7 130 133 A T T 34 S+ 0 0 127 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.832 111.6 45.7 -67.0 -27.8 15.3 12.9 18.2 131 134 A K T <4 S+ 0 0 99 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.765 127.5 26.8 -82.4 -28.4 12.8 15.6 19.0 132 135 A H S >< S- 0 0 11 -4,-1.7 3,-2.1 -3,-0.1 4,-0.5 -0.596 86.2-158.5-132.0 65.6 12.1 16.4 15.3 133 136 A P T 3 S- 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.303 74.2 -1.2 -53.6 126.9 12.9 13.2 13.4 134 137 A G T 3> S+ 0 0 31 -5,-0.1 4,-2.4 1,-0.0 5,-0.2 0.350 97.4 115.6 80.1 -6.4 13.6 13.8 9.7 135 138 A F H <> S+ 0 0 14 -3,-2.1 4,-3.1 -6,-0.2 5,-0.2 0.943 74.6 45.5 -64.8 -50.3 13.1 17.6 9.9 136 139 A Q H > S+ 0 0 59 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.922 115.8 47.2 -58.6 -48.1 16.7 18.7 9.1 137 140 A D H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 114.1 47.8 -62.0 -41.5 17.0 16.3 6.2 138 141 A F H X S+ 0 0 28 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 113.1 47.8 -60.3 -47.7 13.6 17.3 4.8 139 142 A A H X S+ 0 0 1 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.889 111.8 49.2 -65.6 -38.6 14.4 21.0 5.1 140 143 A E H X S+ 0 0 46 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.930 112.2 48.4 -66.9 -42.2 17.8 20.6 3.4 141 144 A Q H X S+ 0 0 107 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.896 108.5 55.0 -65.0 -34.2 16.2 18.7 0.6 142 145 A Y H X S+ 0 0 3 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.914 102.2 57.2 -63.7 -40.6 13.5 21.3 0.3 143 146 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.924 110.6 43.3 -54.3 -46.4 16.2 24.0 -0.1 144 147 A W H X S+ 0 0 69 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.880 111.9 53.6 -71.2 -30.8 17.6 22.1 -3.1 145 148 A D H X S+ 0 0 70 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.950 114.8 40.0 -65.5 -46.1 14.1 21.4 -4.6 146 149 A V H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.837 111.1 58.5 -76.6 -23.6 13.2 25.1 -4.4 147 150 A F H X S+ 0 0 19 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.930 106.4 50.0 -64.6 -43.0 16.8 26.1 -5.6 148 151 A G H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.917 111.4 46.4 -64.0 -41.3 16.1 23.9 -8.7 149 152 A L H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.928 112.2 52.5 -64.0 -40.6 12.7 25.7 -9.4 150 153 A S H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.880 106.0 52.7 -66.6 -36.0 14.4 29.0 -8.8 151 154 A S H X S+ 0 0 21 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.931 110.5 48.5 -63.2 -41.5 17.2 28.3 -11.4 152 155 A A H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 3,-0.4 0.942 111.5 49.3 -64.0 -43.6 14.5 27.4 -13.9 153 156 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.921 107.3 55.4 -62.1 -39.5 12.6 30.7 -13.1 154 157 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 14,-0.3 0.809 103.5 54.8 -63.9 -29.1 15.9 32.6 -13.5 155 158 A K H X S+ 0 0 55 -4,-1.6 4,-2.4 -3,-0.4 -1,-0.2 0.922 109.1 49.3 -66.9 -39.8 16.3 31.2 -17.0 156 159 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.915 111.0 47.7 -64.9 -43.3 12.8 32.5 -17.8 157 160 A Y H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.891 111.4 51.5 -65.3 -40.0 13.6 36.0 -16.4 158 161 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 7,-0.3 3,-0.3 0.943 112.0 45.3 -61.9 -46.3 16.8 36.1 -18.4 159 162 A L H ><5S+ 0 0 28 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.895 108.8 58.0 -63.6 -37.6 15.1 35.2 -21.7 160 163 A A H 3<5S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 105.4 50.2 -61.0 -33.8 12.4 37.7 -20.9 161 164 A L T 3<5S- 0 0 10 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.265 124.0-100.8 -88.8 8.9 15.0 40.5 -20.7 162 165 A G T < 5S+ 0 0 70 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.655 84.5 121.4 81.3 19.3 16.6 39.6 -24.0 163 166 A K S - 0 0 99 -2,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.514 49.7-106.2 -71.1 155.4 20.9 34.2 -22.7 165 168 A E T 3 S+ 0 0 41 1,-0.3 4,-0.5 -2,-0.1 3,-0.4 0.682 116.9 54.9 -63.3 -22.6 19.2 31.9 -20.3 166 169 A N T 3> S+ 0 0 64 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.292 72.2 110.6 -92.3 13.2 22.1 31.7 -17.9 167 170 A F T <4 S+ 0 0 21 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.878 97.8 14.8 -52.6 -42.9 22.4 35.5 -17.4 168 171 A F T >4 S+ 0 0 0 -3,-0.4 3,-2.3 -14,-0.3 4,-0.2 0.837 122.4 63.1 -97.0 -44.7 21.2 35.3 -13.8 169 172 A A G >4 S+ 0 0 11 -4,-0.5 3,-1.7 1,-0.3 -2,-0.2 0.751 90.0 67.4 -59.2 -25.7 21.6 31.5 -13.1 170 173 A R G 3< S+ 0 0 104 -4,-2.2 -1,-0.3 1,-0.3 -3,-0.1 0.702 104.4 46.1 -66.2 -18.2 25.4 31.6 -13.6 171 174 A H G < S+ 0 0 39 -3,-2.3 115,-0.8 -5,-0.2 2,-0.7 0.333 98.3 79.5-101.0 0.5 25.6 33.7 -10.4 172 175 A F < + 0 0 4 -3,-1.7 -1,-0.1 -4,-0.2 113,-0.1 -0.892 64.9 158.0-115.1 92.4 23.2 31.3 -8.6 173 176 A K >> - 0 0 95 -2,-0.7 4,-2.3 1,-0.1 3,-1.1 -0.926 50.1-126.9-124.2 144.5 25.3 28.4 -7.5 174 177 A P T 34 S+ 0 0 54 0, 0.0 -68,-0.3 0, 0.0 -1,-0.1 0.831 105.8 58.9 -56.5 -34.2 24.9 25.7 -4.8 175 178 A D T 34 S+ 0 0 114 1,-0.2 -3,-0.0 -68,-0.0 -71,-0.0 0.793 125.9 8.3 -74.7 -19.4 28.4 26.4 -3.4 176 179 A D T <4 S+ 0 0 63 -3,-1.1 111,-0.5 -69,-0.0 -1,-0.2 0.469 79.5 138.7-142.2 5.0 27.8 30.0 -2.5 177 180 A T < - 0 0 0 -4,-2.3 -73,-0.4 1,-0.1 109,-0.2 -0.224 40.4-152.0 -59.3 139.7 24.2 31.2 -2.9 178 181 A L + 0 0 0 107,-2.1 107,-0.2 106,-0.2 -1,-0.1 0.276 49.6 138.3 -92.1 13.4 23.1 33.5 -0.1 179 182 A A - 0 0 0 105,-0.6 -75,-0.5 -76,-0.1 2,-0.3 -0.182 35.7-159.5 -60.9 145.0 19.5 32.3 -0.7 180 183 A S E - K 0 282B 6 102,-1.2 102,-2.3 -77,-0.2 2,-0.4 -0.957 15.5-146.0-128.1 153.6 17.4 31.6 2.4 181 184 A V E -JK 102 281B 0 -79,-2.6 -79,-2.2 -2,-0.3 2,-0.5 -0.942 16.1-165.0-109.1 135.3 14.3 29.6 3.3 182 185 A V E -J 101 0B 18 98,-2.2 2,-1.0 -2,-0.4 -81,-0.2 -0.990 8.7-158.4-123.1 124.8 12.0 31.1 6.0 183 186 A L E -J 100 0B 3 -83,-3.0 -83,-1.3 -2,-0.5 2,-0.4 -0.830 22.0-170.1-101.4 93.8 9.3 28.9 7.7 184 187 A I E -JL 99 278B 26 94,-2.3 94,-2.0 -2,-1.0 2,-0.5 -0.743 12.7-160.0 -94.1 132.5 6.9 31.5 9.0 185 188 A R E -JL 98 277B 47 -87,-3.2 -87,-1.8 -2,-0.4 92,-0.2 -0.948 4.7-172.1-108.0 118.7 4.0 30.6 11.3 186 189 A Y E - L 0 276B 21 90,-2.5 90,-3.0 -2,-0.5 -89,-0.1 -0.978 26.0-146.3-107.3 114.3 1.1 33.1 11.5 187 190 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 87,-0.5 -0.410 15.0-123.0 -85.1 159.9 -1.1 31.9 14.3 188 191 A Y - 0 0 123 85,-0.2 2,-0.4 -2,-0.1 85,-0.1 -0.820 39.3-174.0 -88.4 130.9 -4.8 31.9 15.1 189 192 A L - 0 0 55 -2,-0.5 3,-0.2 4,-0.0 -93,-0.0 -0.997 21.4-140.0-133.3 136.2 -5.2 33.7 18.4 190 193 A D S S+ 0 0 131 -2,-0.4 2,-0.2 1,-0.3 -2,-0.0 -0.843 102.3 22.0-124.6 127.1 -8.2 34.1 20.6 191 194 A P S S- 0 0 112 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.418 92.6-150.5 -39.9 145.0 -8.0 37.1 21.7 192 195 A Y - 0 0 21 -2,-0.2 2,-0.2 -3,-0.2 5,-0.1 -0.877 24.8-119.7 -92.6 114.1 -5.8 38.5 19.0 193 196 A P > - 0 0 27 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.419 7.2-141.3 -62.3 133.1 -3.8 41.2 20.7 194 197 A E G > S+ 0 0 130 1,-0.3 3,-2.0 -2,-0.2 -100,-0.1 0.825 99.3 67.4 -62.1 -31.3 -4.2 44.7 19.2 195 198 A A G 3 S+ 0 0 65 -102,-0.4 -1,-0.3 1,-0.3 -101,-0.1 0.780 98.0 53.4 -62.7 -22.3 -0.5 45.4 19.7 196 199 A A G < S+ 0 0 13 -3,-1.7 2,-0.5 -103,-0.1 -1,-0.3 0.392 96.9 81.1 -92.4 3.2 0.3 42.7 17.1 197 200 A I < - 0 0 14 -3,-2.0 2,-0.2 -4,-0.2 10,-0.2 -0.950 64.2-162.0-112.2 124.0 -2.0 44.4 14.5 198 201 A K E -B 206 0A 82 8,-2.9 8,-3.4 -2,-0.5 2,-0.5 -0.624 10.5-138.2 -97.5 160.8 -0.7 47.4 12.5 199 202 A T E -B 205 0A 91 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.982 11.1-142.0-126.5 124.8 -3.0 49.8 10.7 200 203 A A > - 0 0 6 4,-2.9 3,-2.0 -2,-0.5 9,-0.0 -0.343 32.9-103.0 -75.0 168.1 -2.2 51.2 7.2 201 204 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.829 124.1 54.7 -63.3 -29.0 -2.9 54.8 6.2 202 205 A D T 3 S- 0 0 95 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.379 124.4-103.1 -83.4 2.9 -6.0 53.5 4.3 203 206 A G S < S+ 0 0 43 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.277 72.1 145.5 94.3 -5.2 -7.3 51.8 7.5 204 207 A T - 0 0 30 -5,-0.1 -4,-2.9 1,-0.1 2,-0.4 -0.428 50.1-126.0 -67.9 133.2 -6.4 48.3 6.5 205 208 A K E -B 199 0A 96 -6,-0.2 66,-2.5 -2,-0.2 2,-0.3 -0.650 37.7-172.3 -79.7 130.0 -5.4 46.0 9.4 206 209 A L E -BC 198 270A 0 -8,-3.4 -8,-2.9 -2,-0.4 64,-0.3 -0.867 39.9-163.3-128.3 158.1 -1.9 44.5 8.7 207 210 A S E S+ 0 0 14 62,-2.7 2,-0.3 1,-0.4 63,-0.2 0.616 93.5 18.8-102.6 -26.2 0.5 42.0 10.1 208 211 A F E S- C 0 269A 24 61,-1.6 61,-2.6 -10,-0.1 -1,-0.4 -0.969 83.9-125.7-150.0 128.3 3.5 43.4 8.0 209 212 A E E - 0 0 42 -2,-0.3 58,-0.1 116,-0.2 116,-0.1 -0.047 42.7 -64.3 -74.4 171.2 3.7 46.8 6.4 210 213 A W E + 0 0 120 58,-0.1 2,-0.3 56,-0.1 58,-0.2 -0.180 66.9 144.2 -51.6 145.1 4.4 47.9 2.8 211 214 A H E - C 0 267A 17 56,-1.4 56,-2.2 -3,-0.1 2,-0.3 -0.979 46.4-118.3-171.3 164.8 7.9 47.0 1.5 212 215 A E - 0 0 92 -2,-0.3 2,-0.2 54,-0.2 54,-0.1 -0.866 48.1-100.2-105.7 152.7 9.9 46.0 -1.6 213 216 A D - 0 0 10 37,-0.5 39,-3.1 52,-0.3 2,-1.1 -0.447 14.1-135.3 -79.8 149.9 11.7 42.6 -1.3 214 217 A V S S+ 0 0 15 37,-0.2 2,-0.3 -2,-0.2 3,-0.1 -0.824 75.2 77.8 -97.9 92.6 15.4 42.2 -0.6 215 218 A S S S- 0 0 0 -2,-1.1 38,-1.8 1,-0.1 39,-0.7 -0.952 84.9-113.2-176.6 171.8 16.1 39.6 -3.3 216 219 A L S S- 0 0 0 67,-2.5 35,-2.4 1,-0.5 38,-0.4 0.880 105.8 -15.8 -83.1 -54.8 16.6 39.1 -7.0 217 220 A I E -MN 250 283B 0 66,-0.8 66,-2.4 33,-0.3 -1,-0.5 -0.947 68.5-135.4-140.9 158.4 13.3 37.2 -7.1 218 221 A T E -MN 249 282B 4 31,-2.6 31,-1.4 -2,-0.3 2,-0.5 -0.973 10.0-163.2-118.9 131.5 11.1 35.7 -4.3 219 222 A V E -MN 248 281B 0 62,-2.6 62,-1.3 -2,-0.4 2,-0.4 -0.942 21.6-173.8-121.8 100.9 9.6 32.2 -4.6 220 223 A L E -MN 247 280B 16 27,-2.9 27,-2.9 -2,-0.5 2,-0.4 -0.875 24.2-168.5-115.1 131.2 6.8 31.8 -2.1 221 224 A Y E + N 0 279B 8 58,-1.5 58,-3.4 -2,-0.4 2,-0.3 -0.929 20.9 174.6-104.5 135.6 4.5 29.1 -0.9 222 225 A Q E - N 0 278B 13 -2,-0.4 20,-0.2 23,-0.4 56,-0.2 -0.980 32.8-105.4-137.5 150.6 1.5 30.2 1.3 223 226 A S - 0 0 19 54,-1.9 2,-2.3 -2,-0.3 19,-0.2 -0.193 51.8 -87.2 -59.6 168.7 -1.4 28.4 2.8 224 227 A N S S+ 0 0 104 17,-0.1 2,-0.4 19,-0.1 -1,-0.1 -0.354 92.4 109.6 -84.3 61.5 -4.8 28.9 1.3 225 228 A V S S- 0 0 40 -2,-2.3 17,-0.1 52,-0.1 2,-0.1 -0.957 70.8-124.2-134.5 113.9 -5.7 32.0 3.3 226 229 A Q + 0 0 40 -2,-0.4 14,-0.1 1,-0.2 -2,-0.1 -0.395 55.8 130.9 -59.6 136.3 -5.8 35.3 1.4 227 230 A N + 0 0 1 12,-0.5 43,-3.3 1,-0.1 2,-0.2 0.456 34.0 95.5-156.9 -31.1 -3.5 37.9 2.9 228 231 A L E -D 269 0A 9 11,-0.4 11,-2.9 41,-0.2 2,-0.4 -0.490 44.0-170.7 -80.5 146.3 -1.2 39.7 0.4 229 232 A Q E -DE 268 238A 3 39,-2.2 39,-2.2 9,-0.2 2,-0.4 -0.995 7.0-154.4-131.7 144.0 -1.9 43.0 -1.2 230 233 A V E -DE 267 237A 0 7,-2.3 7,-2.9 -2,-0.4 2,-0.5 -0.928 18.0-126.1-120.1 135.8 0.0 44.7 -4.0 231 234 A E E + E 0 236A 101 35,-2.8 35,-0.3 -2,-0.4 5,-0.2 -0.691 38.9 163.7 -80.2 127.4 0.1 48.4 -4.7 232 235 A T E > - E 0 235A 36 3,-1.8 3,-1.5 -2,-0.5 -196,-0.1 -0.712 57.4 -89.1-126.5-174.9 -0.8 49.3 -8.3 233 236 A A T 3 S+ 0 0 117 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.830 129.5 54.8 -69.6 -24.9 -1.9 52.5 -10.0 234 237 A A T 3 S- 0 0 83 1,-0.3 -1,-0.3 -232,-0.0 -232,-0.2 0.282 123.4 -98.8 -88.3 7.6 -5.4 51.6 -9.0 235 238 A G E < - E 0 232A 32 -3,-1.5 -3,-1.8 -234,-0.1 2,-0.3 -0.545 68.3 -22.7 106.1-174.5 -4.5 51.2 -5.3 236 239 A Y E - E 0 231A 42 -5,-0.2 2,-0.3 -2,-0.2 -234,-0.3 -0.610 66.5-166.6 -73.0 131.6 -3.7 48.2 -3.2 237 240 A Q E - E 0 230A 30 -7,-2.9 -7,-2.3 -2,-0.3 2,-0.3 -0.911 22.4-108.1-118.3 151.6 -5.3 45.1 -4.7 238 241 A D E -aE 3 229A 24 -236,-2.2 -234,-2.9 -2,-0.3 2,-0.6 -0.588 21.2-144.2 -81.9 133.0 -5.7 41.6 -3.2 239 242 A I - 0 0 3 -11,-2.9 -12,-0.5 -2,-0.3 -11,-0.4 -0.831 26.1-126.2 -91.3 120.6 -3.5 38.8 -4.4 240 243 A E - 0 0 93 -2,-0.6 2,-0.1 -236,-0.3 -15,-0.0 -0.380 22.7-113.9 -67.2 147.7 -5.6 35.6 -4.4 241 244 A A + 0 0 22 -17,-0.1 2,-0.2 2,-0.0 -17,-0.1 -0.452 32.8 176.7 -75.9 151.9 -4.2 32.7 -2.5 242 245 A D > - 0 0 24 -20,-0.2 3,-1.3 -19,-0.2 -20,-0.3 -0.646 9.9-174.3-156.8 97.0 -3.2 29.5 -4.4 243 246 A D T 3 S+ 0 0 61 1,-0.2 -19,-0.1 -2,-0.2 -2,-0.0 0.337 82.9 61.6 -83.5 15.5 -1.7 26.8 -2.2 244 247 A T T 3 S+ 0 0 85 -21,-0.1 -1,-0.2 -196,-0.0 2,-0.2 0.537 105.4 46.5-108.6 -13.2 -0.9 24.6 -5.2 245 248 A G S < S- 0 0 1 -3,-1.3 2,-0.5 -23,-0.1 -23,-0.4 -0.598 81.1-108.9-121.8 178.9 1.5 27.1 -6.8 246 249 A Y E -G 41 0B 0 -205,-2.0 -205,-3.3 -2,-0.2 2,-0.5 -0.966 26.2-135.3-110.5 130.1 4.4 29.4 -6.0 247 250 A L E -GM 40 220B 2 -27,-2.9 -27,-2.9 -2,-0.5 2,-0.4 -0.694 27.5-164.2 -85.5 126.2 3.8 33.2 -5.9 248 251 A I E +GM 39 219B 0 -209,-3.0 -209,-1.7 -2,-0.5 2,-0.3 -0.921 18.2 154.1-116.3 138.2 6.7 34.8 -7.7 249 252 A N E -GM 38 218B 2 -31,-1.4 -31,-2.6 -2,-0.4 2,-0.2 -0.977 39.2-103.2-152.3 162.8 7.8 38.5 -7.7 250 253 A C E - M 0 217B 3 -213,-0.6 -37,-0.5 13,-0.4 -33,-0.3 -0.576 28.0-145.1 -87.2 151.2 11.0 40.5 -8.3 251 254 A G >> - 0 0 0 -35,-2.4 4,-1.4 -2,-0.2 3,-0.8 -0.524 38.2 -87.9-104.1-179.4 13.0 42.1 -5.5 252 255 A S H 3> S+ 0 0 31 -39,-3.1 4,-2.2 1,-0.3 -36,-0.1 0.678 122.2 64.5 -69.7 -17.9 14.9 45.4 -5.6 253 256 A Y H 3> S+ 0 0 0 -38,-1.8 4,-2.4 -40,-0.2 -1,-0.3 0.922 104.4 47.5 -68.3 -39.8 18.1 43.8 -7.0 254 257 A M H <> S+ 0 0 0 -3,-0.8 4,-1.8 -39,-0.7 8,-0.3 0.912 110.6 51.7 -63.6 -38.6 16.1 43.0 -10.2 255 258 A A H <>S+ 0 0 7 -4,-1.4 5,-3.2 1,-0.2 4,-0.3 0.916 111.1 48.7 -64.0 -39.9 14.8 46.5 -10.2 256 259 A H H ><5S+ 0 0 28 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.946 112.1 46.9 -63.8 -48.8 18.3 47.9 -10.0 257 260 A L H 3<5S+ 0 0 0 -4,-2.4 37,-3.2 1,-0.3 -1,-0.2 0.768 118.0 41.6 -64.0 -32.4 19.7 45.6 -12.7 258 261 A T T ><5S- 0 0 0 -4,-1.8 3,-1.7 4,-0.2 -1,-0.3 0.248 110.6-116.2-100.4 8.7 16.9 46.4 -15.2 259 262 A N T < 5S- 0 0 41 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.934 76.3 -53.7 53.8 46.5 16.7 50.1 -14.4 260 263 A N T 3 - 0 0 1 -115,-0.8 3,-1.3 -109,-0.2 25,-0.4 -0.449 49.5-105.1 -86.7 164.7 26.7 35.0 -4.2 287 290 A Y T 3 S+ 0 0 33 -111,-0.5 24,-2.3 1,-0.3 25,-0.4 0.864 121.0 35.2 -55.6 -39.9 28.4 37.6 -2.0 288 291 A D T 3 S+ 0 0 105 22,-0.2 -1,-0.3 23,-0.1 2,-0.2 0.308 86.2 130.1 -98.4 4.2 30.7 38.8 -4.8 289 292 A S < + 0 0 15 -3,-1.3 21,-3.0 -118,-0.1 2,-0.4 -0.404 31.8 179.4 -60.2 129.1 28.2 38.5 -7.6 290 293 A V - 0 0 62 19,-0.2 2,-0.5 -2,-0.2 19,-0.1 -0.991 11.5-168.1-135.4 123.7 27.9 41.6 -9.6 291 294 A I - 0 0 1 17,-0.5 17,-0.5 -2,-0.4 -123,-0.0 -0.963 29.5-119.7-109.9 128.6 25.6 42.0 -12.6 292 295 A D - 0 0 113 -2,-0.5 14,-0.1 15,-0.1 -2,-0.0 -0.583 34.4-116.6 -71.7 122.3 26.2 45.1 -14.8 293 296 A P + 0 0 20 0, 0.0 10,-0.4 0, 0.0 2,-0.3 -0.299 41.4 173.4 -58.9 142.7 23.0 47.1 -14.8 294 297 A F - 0 0 13 -37,-3.2 8,-0.2 8,-0.2 7,-0.1 -0.830 27.9-131.0-140.9 178.7 21.2 47.5 -18.1 295 298 A D > - 0 0 8 6,-1.8 3,-1.9 -2,-0.3 6,-0.3 -0.811 6.7-167.8-142.3 105.5 18.0 49.0 -19.6 296 299 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.375 89.0 62.6 -69.7 0.3 15.9 46.9 -22.0 297 300 A R T 3 S+ 0 0 129 -38,-0.0 3,-0.1 4,-0.0 -38,-0.0 0.468 90.9 80.8 -99.7 -9.6 13.8 50.0 -22.8 298 301 A E S X S- 0 0 100 -3,-1.9 3,-2.2 1,-0.1 -3,-0.2 -0.880 80.6-130.4-103.5 136.6 16.9 51.9 -24.3 299 302 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.856 111.0 37.0 -48.2 -46.5 18.2 51.2 -27.8 300 303 A N T 3 S- 0 0 116 2,-0.1 -5,-0.0 1,-0.1 -3,-0.0 0.470 105.3-128.9 -87.4 -0.6 21.8 50.7 -26.7 301 304 A G < + 0 0 26 -3,-2.2 -6,-1.8 -6,-0.3 2,-0.1 0.573 57.1 146.3 67.7 10.9 20.7 49.0 -23.5 302 305 A K - 0 0 154 -8,-0.2 2,-0.3 -7,-0.1 -1,-0.2 -0.440 31.3-157.3 -84.4 152.3 22.9 51.3 -21.3 303 306 A S - 0 0 24 -10,-0.4 -8,-0.1 2,-0.2 -44,-0.0 -0.952 23.5-140.1-125.8 153.0 21.9 52.4 -17.8 304 307 A D S S+ 0 0 168 -2,-0.3 2,-0.3 -10,-0.1 -10,-0.0 0.037 75.5 101.7 -98.5 29.2 22.9 55.3 -15.5 305 308 A R S S- 0 0 84 -49,-0.1 -2,-0.2 -48,-0.1 3,-0.1 -0.831 70.3-124.8-106.8 148.8 23.0 53.0 -12.5 306 309 A E - 0 0 150 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.638 32.4 -92.6 -95.5 153.0 26.3 51.7 -11.0 307 310 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 -0.269 40.0-163.8 -60.6 140.8 27.2 48.0 -10.4 308 311 A L - 0 0 58 -17,-0.5 -17,-0.5 -55,-0.1 2,-0.1 -0.991 17.3-127.6-129.4 123.2 26.3 46.8 -6.9 309 312 A S > - 0 0 28 -2,-0.4 4,-2.4 -19,-0.1 -19,-0.2 -0.444 19.8-127.5 -72.3 143.3 27.7 43.6 -5.5 310 313 A Y H > S+ 0 0 0 -21,-3.0 4,-3.1 -24,-0.3 5,-0.2 0.895 105.6 56.3 -58.8 -41.0 25.1 41.2 -4.1 311 314 A G H > S+ 0 0 0 -24,-2.3 4,-2.6 -25,-0.4 5,-0.2 0.906 110.0 44.9 -57.3 -47.6 26.6 40.8 -0.7 312 315 A D H > S+ 0 0 77 -25,-0.4 4,-2.1 1,-0.2 5,-0.4 0.949 114.2 50.3 -61.1 -49.0 26.6 44.6 -0.1 313 316 A Y H X S+ 0 0 23 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.925 114.3 44.5 -52.8 -50.6 23.1 44.8 -1.4 314 317 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.956 111.5 48.8 -65.6 -51.1 21.9 42.0 0.9 315 318 A Q H X S+ 0 0 77 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.912 119.3 39.4 -56.2 -46.6 23.6 43.0 4.2 316 319 A N H X S+ 0 0 95 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.877 113.8 55.1 -73.9 -31.9 22.3 46.5 3.9 317 320 A G H X S+ 0 0 14 -4,-2.3 4,-2.2 -5,-0.4 -2,-0.2 0.896 107.3 48.7 -66.6 -42.9 18.9 45.5 2.6 318 321 A L H X S+ 0 0 52 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.893 113.0 47.6 -66.7 -37.7 18.1 43.2 5.5 319 322 A V H X S+ 0 0 73 -4,-1.4 4,-2.5 -5,-0.3 -2,-0.2 0.923 111.8 50.5 -66.5 -44.4 19.1 45.8 8.1 320 323 A S H X S+ 0 0 70 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.873 108.1 52.3 -63.0 -37.7 17.1 48.5 6.3 321 324 A L H X S+ 0 0 42 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.888 109.9 48.7 -66.7 -37.3 14.0 46.2 6.2 322 325 A I H X S+ 0 0 66 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.924 112.3 49.3 -66.5 -41.3 14.3 45.6 9.9 323 326 A N H < S+ 0 0 127 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.916 118.3 39.5 -63.5 -39.1 14.6 49.3 10.6 324 327 A K H < S+ 0 0 87 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.926 133.6 16.6 -75.7 -50.2 11.6 50.1 8.4 325 328 A N H < S- 0 0 16 -4,-2.8 -116,-0.2 1,-0.2 -3,-0.2 0.346 110.4-103.5-113.4 7.0 9.2 47.4 9.3 326 329 A G < - 0 0 34 -4,-2.0 2,-0.5 -5,-0.3 -1,-0.2 0.147 43.0 -57.7 95.2 154.5 10.5 45.9 12.5 327 330 A Q 0 0 66 1,-0.2 -5,-0.0 -5,-0.1 -4,-0.0 -0.595 360.0 360.0 -69.9 123.0 12.4 42.8 13.7 328 331 A T 0 0 52 -2,-0.5 -1,-0.2 -238,-0.0 -240,-0.1 0.486 360.0 360.0 -83.0 360.0 10.4 39.8 12.7