==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-APR-04 1VFT . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LAVENDULAE; . AUTHOR M.NODA,Y.MATOBA,T.KUMAGAI,M.SUGIYAMA . 764 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 9.6 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 0.5 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 . 47 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.1 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 8 1 1 2 1 1 1 4 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 6 6 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 5 5 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 . 1 0 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 T 0 0 160 0, 0.0 5,-0.0 0, 0.0 370,-0.0 0.000 360.0 360.0 360.0 145.4 34.5 -12.6 -12.9 2 5 A P - 0 0 36 0, 0.0 4,-0.1 0, 0.0 467,-0.0 -0.060 360.0-153.6 -47.2 142.7 31.3 -10.4 -12.8 3 6 A T S S+ 0 0 37 2,-0.1 249,-0.1 465,-0.1 466,-0.1 0.752 84.0 31.5 -93.0 -28.4 30.4 -8.8 -16.1 4 7 A R S S- 0 0 15 1,-0.4 248,-2.5 247,-0.1 2,-0.3 0.922 124.4 -33.0 -94.4 -68.1 28.5 -5.7 -15.0 5 8 A V E +A 251 0A 4 246,-0.3 -1,-0.4 2,-0.0 2,-0.3 -0.973 60.0 166.7-154.9 155.7 29.8 -4.5 -11.6 6 9 A Y E -A 250 0A 31 244,-2.0 244,-2.0 -2,-0.3 2,-0.4 -0.983 27.6-122.0-167.4 164.1 31.4 -6.1 -8.5 7 10 A A E -Ab 249 370A 0 362,-3.0 364,-3.1 -2,-0.3 2,-0.5 -0.960 16.2-156.3-121.1 132.8 33.2 -5.4 -5.3 8 11 A E E -Ab 248 371A 27 240,-1.9 240,-1.1 -2,-0.4 2,-0.5 -0.932 7.1-155.9-111.6 125.7 36.6 -6.9 -4.3 9 12 A I E -Ab 247 372A 0 362,-2.6 364,-2.4 -2,-0.5 2,-1.1 -0.892 7.7-147.0-104.5 121.5 37.5 -7.1 -0.6 10 13 A D E >> - b 0 373A 35 236,-2.3 3,-1.6 -2,-0.5 4,-1.2 -0.725 10.7-170.8 -90.3 93.9 41.2 -7.3 0.3 11 14 A L H 3> S+ 0 0 0 362,-1.9 4,-2.2 -2,-1.1 363,-0.2 0.682 84.0 61.2 -58.1 -21.0 41.3 -9.5 3.4 12 15 A D H 3> S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.769 99.1 55.7 -76.9 -27.3 45.0 -8.6 3.9 13 16 A A H <> S+ 0 0 0 -3,-1.6 4,-1.6 2,-0.2 231,-0.4 0.876 109.8 47.2 -69.7 -37.3 44.1 -5.0 4.3 14 17 A V H X S+ 0 0 1 -4,-1.2 4,-1.9 2,-0.2 5,-0.2 0.960 110.9 49.7 -66.7 -52.7 41.7 -6.0 7.1 15 18 A R H X S+ 0 0 69 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.829 114.2 46.4 -55.0 -37.6 44.3 -8.2 8.8 16 19 A A H X S+ 0 0 42 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.798 106.6 57.5 -76.8 -33.2 46.9 -5.4 8.7 17 20 A N H X S+ 0 0 3 -4,-1.6 4,-2.3 209,-0.3 -2,-0.2 0.926 108.4 45.0 -65.6 -46.4 44.5 -2.7 9.9 18 21 A V H X S+ 0 0 2 -4,-1.9 4,-2.6 208,-0.2 5,-0.2 0.889 109.4 55.4 -66.1 -38.6 43.6 -4.5 13.2 19 22 A R H X S+ 0 0 142 -4,-1.1 4,-1.1 -5,-0.2 -1,-0.2 0.817 111.4 46.7 -62.2 -29.8 47.3 -5.3 13.8 20 23 A A H < S+ 0 0 40 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.902 111.1 50.2 -76.5 -45.2 48.0 -1.6 13.5 21 24 A L H >X S+ 0 0 6 -4,-2.3 3,-1.6 1,-0.2 4,-0.7 0.865 106.4 54.9 -62.9 -39.9 45.1 -0.6 15.8 22 25 A R H >< S+ 0 0 123 -4,-2.6 3,-1.6 1,-0.3 6,-0.2 0.934 99.8 60.6 -60.3 -45.2 46.1 -3.0 18.6 23 26 A A T 3< S+ 0 0 80 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.483 101.4 57.9 -62.0 -0.2 49.5 -1.4 18.6 24 27 A R T <4 S+ 0 0 115 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.668 109.6 38.3-102.3 -24.5 47.8 1.8 19.6 25 28 A A S X< S+ 0 0 3 -3,-1.6 3,-2.2 -4,-0.7 -1,-0.2 -0.579 72.0 171.8-126.3 66.0 46.0 0.6 22.7 26 29 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.709 77.2 41.4 -47.6 -32.4 48.8 -1.6 24.2 27 30 A R T 3 S+ 0 0 216 -3,-0.1 2,-0.3 2,-0.1 -5,-0.0 0.106 106.2 74.4-109.7 23.7 47.0 -2.2 27.5 28 31 A S S < S- 0 0 25 -3,-2.2 191,-0.2 -6,-0.2 190,-0.1 -0.955 75.7-119.1-134.3 152.2 43.5 -2.7 26.2 29 32 A A E -f 219 0B 36 189,-3.3 191,-0.6 -2,-0.3 2,-0.5 -0.337 28.8-123.7 -81.0 169.9 41.6 -5.5 24.3 30 33 A L E -f 220 0B 6 24,-0.3 27,-2.0 189,-0.2 26,-1.5 -0.973 17.3-167.8-124.5 124.1 40.2 -5.0 20.8 31 34 A M E -fg 221 57B 0 189,-2.9 191,-1.5 -2,-0.5 2,-0.4 -0.935 16.7-146.8-109.8 113.0 36.5 -5.6 19.8 32 35 A A E -fg 222 58B 3 25,-2.6 27,-2.8 -2,-0.6 2,-0.8 -0.657 8.5-144.8 -80.8 129.2 36.0 -5.7 16.1 33 36 A V E + g 0 59B 0 189,-1.7 27,-0.2 -2,-0.4 193,-0.1 -0.838 28.3 165.0 -98.4 106.0 32.6 -4.3 15.0 34 37 A V > + 0 0 5 25,-1.6 4,-2.2 -2,-0.8 3,-0.2 -0.024 24.2 141.3-110.0 29.9 31.3 -6.1 12.0 35 38 A K H > + 0 0 0 24,-0.6 4,-2.5 2,-0.2 5,-0.1 -0.233 57.2 35.4 -68.4 163.2 27.7 -5.0 12.1 36 39 A S H > S- 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 144.0 -50.8 58.3 51.1 25.8 -4.2 8.9 37 40 A N H >>S- 0 0 76 1,-0.2 5,-2.2 2,-0.2 4,-0.7 0.929 109.0 -53.4 51.9 49.3 27.5 -7.0 7.0 38 41 A A H ><5S- 0 0 0 -4,-2.2 3,-2.2 1,-0.3 -1,-0.2 0.947 104.2 -54.0 50.4 55.4 30.8 -5.6 8.2 39 42 A Y H 3<5S- 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.863 112.0 -46.6 49.3 38.4 29.9 -2.1 7.0 40 43 A G H 3<5S+ 0 0 3 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.454 120.8 104.7 86.5 3.3 29.3 -3.7 3.5 41 44 A H T <<5S- 0 0 2 -3,-2.2 -3,-0.2 -4,-0.7 -2,-0.1 0.506 97.5 -82.0 -94.4 -5.8 32.5 -5.7 3.4 42 45 A G >< - 0 0 4 -5,-2.2 4,-1.6 -6,-0.2 5,-0.2 0.583 37.2-136.2 101.2 105.4 31.0 -9.2 4.1 43 46 A A H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 94.1 40.0 -59.1 -59.7 30.3 -10.2 7.7 44 47 A V H > S+ 0 0 5 338,-0.3 4,-2.1 2,-0.2 5,-0.2 0.950 116.1 49.8 -61.3 -51.0 31.6 -13.7 8.1 45 48 A P H > S+ 0 0 5 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.883 116.7 41.4 -54.3 -43.8 34.8 -13.4 6.0 46 49 A C H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.839 109.3 58.5 -75.3 -34.5 35.8 -10.2 7.8 47 50 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.913 110.9 43.1 -61.2 -42.4 34.9 -11.5 11.3 48 51 A R H X S+ 0 0 36 -4,-2.1 4,-2.2 331,-0.2 5,-0.3 0.918 112.5 53.4 -68.0 -45.7 37.3 -14.5 10.8 49 52 A A H X S+ 0 0 1 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.901 111.6 44.4 -56.4 -45.7 40.0 -12.3 9.3 50 53 A A H X>S+ 0 0 1 -4,-2.5 5,-2.6 2,-0.2 4,-1.0 0.851 111.7 52.8 -70.1 -37.5 40.0 -9.8 12.2 51 54 A Q H ><5S+ 0 0 62 -4,-1.7 3,-2.0 -5,-0.2 -2,-0.2 0.994 110.7 45.5 -61.1 -62.1 39.9 -12.6 14.9 52 55 A E H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 112.2 55.1 -52.1 -29.0 42.9 -14.4 13.5 53 56 A A H 3<5S- 0 0 7 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.701 135.9 -74.6 -80.8 -19.6 44.6 -11.1 13.2 54 57 A G T <<5S+ 0 0 24 -3,-2.0 2,-0.4 -4,-1.0 -24,-0.3 0.450 79.0 138.9 144.6 -3.7 44.1 -10.2 16.9 55 58 A A < - 0 0 7 -5,-2.6 -1,-0.2 1,-0.2 -24,-0.2 -0.573 24.6-174.0 -74.7 126.1 40.5 -9.2 17.8 56 59 A A S S+ 0 0 56 -26,-1.5 21,-0.9 -2,-0.4 2,-0.3 0.710 70.7 38.7 -90.5 -23.3 39.5 -10.7 21.1 57 60 A W E -gh 31 77B 16 -27,-2.0 -25,-2.6 19,-0.1 2,-0.4 -0.942 66.8-152.3-127.4 149.2 35.8 -9.5 20.9 58 61 A L E -gh 32 78B 2 19,-1.5 21,-1.8 -2,-0.3 2,-0.4 -0.940 13.1-160.1-119.1 144.3 33.4 -9.2 18.1 59 62 A G E +gh 33 79B 0 -27,-2.8 -25,-1.6 -2,-0.4 -24,-0.6 -0.983 16.8 163.4-134.4 129.3 30.5 -6.7 18.0 60 63 A T E - h 0 80B 1 19,-1.9 21,-0.6 -2,-0.4 22,-0.2 -0.922 34.6-132.0-133.7 156.8 27.3 -6.6 16.0 61 64 A A S S+ 0 0 0 -2,-0.3 21,-3.1 19,-0.2 20,-0.2 0.900 84.2 46.3 -80.8 -42.8 24.2 -4.5 16.7 62 65 A T S > S- 0 0 4 19,-0.2 4,-1.3 18,-0.1 3,-0.2 -0.729 77.2-124.5-107.2 153.7 21.5 -7.0 16.4 63 66 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.832 111.9 57.9 -57.9 -34.6 21.1 -10.6 17.9 64 67 A E H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.912 103.9 49.3 -63.9 -44.7 20.5 -11.9 14.4 65 68 A E H > S+ 0 0 19 -3,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.813 115.2 47.4 -63.7 -28.4 23.9 -10.6 13.2 66 69 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.824 110.0 49.9 -81.4 -34.8 25.3 -12.3 16.3 67 70 A L H X S+ 0 0 41 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.730 107.8 55.7 -76.4 -21.4 23.5 -15.6 15.8 68 71 A E H X S+ 0 0 84 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.864 105.5 51.6 -76.6 -37.1 24.7 -15.7 12.2 69 72 A L H <>S+ 0 0 2 -4,-1.0 5,-2.1 2,-0.2 -2,-0.2 0.915 113.6 43.4 -64.4 -45.2 28.3 -15.3 13.3 70 73 A R H ><5S+ 0 0 49 -4,-1.6 3,-2.7 1,-0.2 -2,-0.2 0.946 111.7 54.0 -65.5 -47.2 27.9 -18.2 15.8 71 74 A A H 3<5S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 103.1 58.4 -56.9 -28.3 26.0 -20.2 13.2 72 75 A A T 3<5S- 0 0 12 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.458 126.6-102.4 -81.1 -1.4 29.0 -19.6 10.8 73 76 A G T < 5 + 0 0 51 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.577 69.1 149.7 94.3 10.8 31.2 -21.3 13.4 74 77 A I < - 0 0 6 -5,-2.1 -1,-0.3 1,-0.1 -2,-0.1 -0.607 21.6-173.4 -82.0 135.8 32.9 -18.3 15.0 75 78 A Q + 0 0 145 -2,-0.3 -1,-0.1 2,-0.0 -6,-0.0 -0.023 36.7 72.2-103.8-151.6 33.9 -18.7 18.7 76 79 A G S S- 0 0 40 -2,-0.1 2,-0.2 -19,-0.1 -19,-0.1 0.006 93.4 -31.2 69.1-179.0 35.3 -16.2 21.3 77 80 A R E +h 57 0B 64 -21,-0.9 -19,-1.5 20,-0.1 2,-0.3 -0.504 62.6 174.8 -75.7 140.0 33.5 -13.4 23.0 78 81 A I E -h 58 0B 0 18,-0.3 20,-2.3 -21,-0.2 2,-0.3 -0.989 7.1-170.6-144.0 147.6 30.7 -11.7 21.1 79 82 A M E -hi 59 98B 0 -21,-1.8 -19,-1.9 -2,-0.3 2,-0.4 -0.999 7.9-170.9-146.3 141.2 28.2 -8.9 22.1 80 83 A C E -hi 60 99B 0 18,-1.4 20,-1.2 -2,-0.3 -19,-0.2 -0.986 4.1-179.1-130.3 143.2 25.1 -7.3 20.6 81 84 A W + 0 0 4 -21,-0.6 2,-1.0 -2,-0.4 -19,-0.2 0.639 54.3 90.9-116.6 -20.7 23.3 -4.2 22.0 82 85 A L + 0 0 5 -21,-3.1 2,-0.3 -22,-0.2 -1,-0.1 -0.718 55.1 159.6 -85.8 105.7 20.3 -3.4 19.8 83 86 A W - 0 0 11 -2,-1.0 23,-0.1 553,-0.1 -21,-0.0 -0.896 22.0-170.6-126.3 154.1 17.4 -5.3 21.3 84 87 A T > - 0 0 6 -2,-0.3 3,-2.0 627,-0.1 552,-0.1 -0.954 46.9 -72.8-137.2 156.7 13.6 -5.0 21.2 85 88 A P T 3 S+ 0 0 32 0, 0.0 21,-0.1 0, 0.0 627,-0.0 -0.227 120.6 23.6 -51.3 133.3 10.9 -6.8 23.2 86 89 A G T 3 S+ 0 0 54 1,-0.1 626,-0.0 -3,-0.0 -3,-0.0 0.489 86.5 150.9 90.5 3.1 10.6 -10.4 22.1 87 90 A G < - 0 0 13 -3,-2.0 2,-1.8 1,-0.1 3,-0.3 0.057 66.4 -82.6 -58.2 176.7 14.1 -10.7 20.8 88 91 A P > + 0 0 19 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.422 70.0 149.0 -84.3 64.7 15.9 -14.1 20.8 89 92 A W H > S+ 0 0 9 -2,-1.8 4,-2.6 2,-0.2 5,-0.2 0.966 72.1 45.6 -59.0 -56.1 17.1 -13.8 24.4 90 93 A R H >> S+ 0 0 131 -3,-0.3 4,-2.9 1,-0.2 3,-0.7 0.973 115.2 45.5 -50.2 -66.4 17.0 -17.5 25.0 91 94 A E H 3> S+ 0 0 93 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.853 115.0 49.9 -46.1 -42.5 18.7 -18.4 21.8 92 95 A A H 3<>S+ 0 0 0 -4,-2.4 5,-1.3 1,-0.2 -1,-0.3 0.852 112.2 46.5 -68.2 -36.3 21.3 -15.6 22.4 93 96 A I H X<5S+ 0 0 6 -4,-2.6 3,-1.5 -3,-0.7 -2,-0.2 0.873 109.8 52.7 -74.0 -39.0 22.0 -16.8 26.0 94 97 A E H 3<5S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.846 107.5 53.5 -64.5 -33.8 22.3 -20.5 25.0 95 98 A T T 3<5S- 0 0 41 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.177 117.7-115.2 -87.5 17.2 24.9 -19.4 22.4 96 99 A D T < 5 + 0 0 56 -3,-1.5 2,-0.5 1,-0.2 -18,-0.3 0.942 55.6 162.8 47.9 66.5 26.9 -17.6 25.1 97 100 A I < - 0 0 5 -5,-1.3 2,-0.5 -20,-0.1 -18,-0.2 -0.963 40.4-126.6-120.1 124.5 26.5 -14.1 23.8 98 101 A D E -i 79 0B 0 -20,-2.3 -18,-1.4 -2,-0.5 2,-0.3 -0.541 35.6-166.7 -67.5 115.8 27.2 -11.0 25.9 99 102 A V E -ij 80 123B 3 23,-1.6 25,-1.8 -2,-0.5 2,-0.4 -0.723 14.8-122.8-108.1 159.2 24.0 -8.8 25.7 100 103 A S E - j 0 124B 4 -20,-1.2 2,-0.5 -2,-0.3 25,-0.2 -0.844 16.6-165.5-106.0 134.2 23.4 -5.2 26.7 101 104 A V E + j 0 125B 0 23,-2.4 25,-1.3 -2,-0.4 35,-0.2 -0.970 21.6 156.4-118.1 122.0 20.7 -4.0 29.1 102 105 A S + 0 0 12 -2,-0.5 2,-0.2 23,-0.2 35,-0.2 0.453 67.9 33.6-120.4 -10.3 19.8 -0.3 29.3 103 106 A G S > S- 0 0 12 33,-0.1 4,-1.2 1,-0.1 33,-0.1 -0.796 81.3-110.0-136.5 179.1 16.3 -0.5 30.7 104 107 A M H > S+ 0 0 66 -2,-0.2 4,-2.6 2,-0.2 5,-0.3 0.863 110.2 64.8 -83.4 -36.1 14.4 -2.7 33.1 105 108 A W H > S+ 0 0 61 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.843 105.6 48.1 -54.0 -33.4 12.1 -4.3 30.5 106 109 A A H >> S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 3,-0.8 0.966 108.3 52.6 -70.2 -54.2 15.3 -5.9 29.2 107 110 A L H 3X S+ 0 0 1 -4,-1.2 4,-2.3 1,-0.3 -2,-0.2 0.900 109.7 48.7 -47.4 -50.4 16.6 -7.1 32.5 108 111 A D H 3X S+ 0 0 70 -4,-2.6 4,-1.9 1,-0.2 -1,-0.3 0.806 112.5 49.7 -63.8 -29.5 13.3 -8.8 33.3 109 112 A E H S+ 0 0 3 -4,-3.7 5,-2.5 1,-0.2 4,-0.2 0.795 110.0 55.3 -58.3 -25.8 18.2 -17.2 31.7 115 118 A R H ><5S+ 0 0 157 -4,-1.1 3,-0.8 -5,-0.2 -2,-0.2 0.948 111.2 39.0 -71.5 -53.5 15.6 -19.1 33.7 116 119 A A H 3<5S+ 0 0 69 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.948 115.8 53.2 -62.4 -47.9 14.2 -21.1 30.7 117 120 A A T 3<5S- 0 0 15 -4,-3.3 -1,-0.2 2,-0.1 -2,-0.2 0.596 103.3-135.5 -63.7 -10.6 17.7 -21.5 29.3 118 121 A G T < 5 + 0 0 64 -3,-0.8 2,-0.3 -5,-0.2 -3,-0.2 0.930 70.0 102.7 52.6 45.6 18.7 -22.9 32.7 119 122 A R S - 0 0 9 -2,-0.3 3,-2.3 -10,-0.2 4,-0.4 -0.387 30.6-108.3 -68.0 150.0 20.2 8.1 31.9 138 141 A P G > S+ 0 0 73 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.818 117.9 62.1 -50.7 -30.8 22.2 9.2 34.9 139 142 A A G 3 S+ 0 0 91 1,-0.2 4,-0.1 2,-0.1 -2,-0.0 0.454 107.1 41.1 -76.8 -2.5 19.0 9.5 36.9 140 143 A D G <> S+ 0 0 72 -3,-2.3 4,-2.3 2,-0.1 -1,-0.2 0.242 85.7 100.8-126.8 9.1 18.0 5.9 36.6 141 144 A W H <> S+ 0 0 11 -3,-0.9 4,-4.6 -4,-0.4 5,-0.3 0.961 81.9 45.7 -59.2 -60.1 21.4 4.4 37.1 142 145 A A H > S+ 0 0 50 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.852 112.7 52.8 -55.2 -38.5 21.0 3.3 40.8 143 146 A E H > S+ 0 0 143 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.970 118.5 34.8 -62.0 -53.0 17.6 1.8 40.0 144 147 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 117.5 53.5 -65.8 -48.4 19.0 -0.3 37.2 145 148 A V H X S+ 0 0 3 -4,-4.6 4,-2.0 -5,-0.2 -1,-0.2 0.865 112.1 48.0 -54.2 -38.3 22.3 -0.8 39.0 146 149 A G H X S+ 0 0 23 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.983 109.4 47.5 -68.4 -59.2 20.3 -2.1 41.9 147 150 A A H X S+ 0 0 29 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.851 112.8 54.7 -50.5 -36.7 18.0 -4.5 40.1 148 151 A A H >X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 3,-0.7 0.977 105.3 46.9 -62.4 -61.1 21.1 -5.8 38.4 149 152 A V H 3X S+ 0 0 33 -4,-2.0 4,-1.6 1,-0.3 -1,-0.2 0.755 112.9 55.1 -54.3 -22.3 23.1 -6.7 41.5 150 153 A A H 3X S+ 0 0 58 -4,-1.6 4,-1.4 2,-0.2 -1,-0.3 0.872 104.1 50.6 -76.6 -41.1 19.9 -8.2 42.7 151 154 A A H <<>S+ 0 0 1 -4,-1.8 5,-1.7 -3,-0.7 6,-1.2 0.762 106.8 59.0 -66.9 -25.9 19.6 -10.4 39.6 152 155 A Q H ><5S+ 0 0 58 -4,-1.8 3,-3.1 1,-0.2 -2,-0.2 0.992 102.6 49.1 -64.1 -61.5 23.2 -11.4 40.3 153 156 A A H 3<5S+ 0 0 95 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.787 106.2 57.9 -48.3 -35.5 22.4 -12.8 43.8 154 157 A E T 3<5S- 0 0 65 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.634 111.0-124.5 -73.3 -12.3 19.5 -14.8 42.3 155 158 A G T < 5S+ 0 0 40 -3,-3.1 -3,-0.2 -4,-0.4 -2,-0.1 0.654 82.3 109.7 77.9 16.5 22.0 -16.5 40.0 156 159 A T S S+ 0 0 0 481,-0.2 3,-2.1 1,-0.1 6,-0.3 -0.035 76.8 126.5-126.0 33.7 31.4 13.7 18.9 169 172 A A T 3 S+ 0 0 2 1,-0.3 4,-0.2 7,-0.1 -1,-0.1 0.890 75.7 59.3 -56.3 -40.0 34.6 11.6 19.3 170 173 A D T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 64,-0.1 0.344 90.4 78.8 -72.6 6.9 35.2 12.1 15.6 171 174 A E S X S- 0 0 70 -3,-2.1 3,-0.6 3,-0.0 -1,-0.2 -0.738 92.1-125.5-120.0 82.2 35.3 15.9 16.1 172 175 A P T 3 S+ 0 0 72 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.176 85.0 2.8 -28.0 122.6 38.8 16.7 17.6 173 176 A G T 3 S+ 0 0 78 1,-0.2 -4,-0.1 -4,-0.2 3,-0.0 0.846 84.1 168.1 63.9 38.8 38.7 18.6 20.9 174 177 A H X> - 0 0 43 -3,-0.6 3,-1.1 -6,-0.3 4,-0.8 -0.658 40.4-132.9 -85.2 138.3 34.9 18.7 21.3 175 178 A P H 3> S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.863 106.1 62.8 -55.5 -36.8 33.6 19.8 24.7 176 179 A S H 3> S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.848 94.0 65.3 -57.9 -34.9 31.2 16.9 24.7 177 180 A I H <> S+ 0 0 12 -3,-1.1 4,-2.3 2,-0.2 3,-0.3 0.964 106.1 36.5 -53.3 -65.2 34.2 14.5 24.7 178 181 A R H X S+ 0 0 142 -4,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.904 115.4 56.4 -56.7 -44.6 35.6 15.4 28.1 179 182 A L H X S+ 0 0 103 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.893 110.6 44.3 -54.4 -43.6 32.2 15.9 29.6 180 183 A Q H X S+ 0 0 3 -4,-2.4 4,-1.8 -3,-0.3 -1,-0.2 0.883 110.6 53.7 -70.5 -39.7 31.2 12.3 28.6 181 184 A L H X S+ 0 0 15 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.942 107.8 52.6 -60.3 -44.5 34.5 10.8 29.7 182 185 A D H X S+ 0 0 80 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.899 105.8 51.5 -58.0 -46.1 33.9 12.4 33.2 183 186 A A H X S+ 0 0 28 -4,-1.6 4,-3.2 -54,-0.2 5,-0.4 0.889 105.3 59.0 -60.4 -38.0 30.4 10.9 33.6 184 187 A F H X S+ 0 0 1 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.949 104.8 47.2 -55.9 -53.2 31.8 7.5 32.8 185 188 A R H X S+ 0 0 120 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.842 118.0 43.5 -57.8 -36.6 34.3 7.5 35.6 186 189 A D H X S+ 0 0 117 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.884 118.3 41.5 -77.3 -43.0 31.6 8.6 38.1 187 190 A M H X S+ 0 0 18 -4,-3.2 4,-1.5 2,-0.2 -2,-0.2 0.866 116.6 49.8 -72.7 -38.6 28.8 6.4 36.9 188 191 A L H X S+ 0 0 12 -4,-3.2 4,-1.3 -5,-0.4 3,-0.4 0.983 110.3 50.0 -63.0 -56.8 31.2 3.4 36.5 189 192 A A H >X S+ 0 0 31 -4,-1.7 4,-2.3 -5,-0.3 3,-0.9 0.894 105.7 55.2 -48.0 -52.4 32.6 3.9 40.0 190 193 A Y H 3X S+ 0 0 89 -4,-1.9 4,-2.3 1,-0.3 -1,-0.3 0.915 106.1 53.4 -49.3 -46.0 29.2 4.1 41.7 191 194 A A H 3<>S+ 0 0 1 -4,-1.5 5,-1.7 -3,-0.4 -1,-0.3 0.823 108.2 50.8 -59.6 -32.2 28.4 0.7 40.1 192 195 A E H X<5S+ 0 0 45 -4,-1.3 3,-2.5 -3,-0.9 -2,-0.2 0.980 108.9 48.8 -68.9 -56.4 31.6 -0.7 41.6 193 196 A K H 3<5S+ 0 0 155 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.861 106.1 58.0 -50.5 -42.4 30.9 0.5 45.2 194 197 A E T 3<5S- 0 0 101 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.386 133.3 -86.1 -73.6 6.5 27.4 -0.9 45.0 195 198 A G T < 5S+ 0 0 51 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.1 -0.026 81.8 135.2 120.3 -34.7 28.8 -4.3 44.3 196 199 A V < - 0 0 6 -5,-1.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.280 30.2-169.9 -60.1 128.3 29.4 -4.7 40.6 197 200 A D - 0 0 134 -38,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.899 17.3-155.1-118.7 94.9 32.7 -6.2 39.5 198 201 A P - 0 0 9 0, 0.0 -37,-0.2 0, 0.0 -38,-0.2 -0.498 20.0-152.5 -78.2 139.7 32.9 -5.7 35.7 199 202 A E S S+ 0 0 96 -39,-1.6 2,-0.3 1,-0.3 -38,-0.2 0.829 86.2 12.8 -73.8 -32.6 35.0 -7.9 33.4 200 203 A V E -l 161 0B 11 -40,-1.6 -38,-1.9 18,-0.0 2,-0.4 -1.000 55.9-163.0-150.0 146.6 35.3 -4.9 31.0 201 204 A R E +l 162 0B 44 -2,-0.3 17,-1.7 -40,-0.2 18,-1.3 -0.993 26.7 168.1-127.9 120.4 34.7 -1.1 30.9 202 205 A H E +lm 163 219B 0 -40,-1.3 -38,-1.5 -2,-0.4 18,-0.1 -0.969 26.0 145.8-139.2 155.3 34.6 0.5 27.4 203 206 A I E + 0 0 0 12,-0.6 -37,-0.6 16,-0.6 2,-0.4 0.350 46.1 109.0-156.9 -15.8 33.6 3.7 25.7 204 207 A A E - m 0 220B 0 11,-0.7 17,-2.8 15,-0.5 2,-0.1 -0.602 36.6-180.0 -86.2 129.4 36.0 4.2 22.8 205 208 A N > - 0 0 9 -2,-0.4 4,-2.9 15,-0.2 5,-0.2 -0.311 54.6 -69.1-102.7-168.1 35.0 3.9 19.1 206 209 A S H > S+ 0 0 1 15,-0.2 4,-2.5 2,-0.2 5,-0.2 0.948 130.9 42.9 -53.2 -61.1 37.3 4.4 16.1 207 210 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.962 118.2 44.8 -52.1 -56.3 37.9 8.2 16.4 208 211 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.903 111.9 54.2 -54.0 -44.7 38.4 8.2 20.2 209 212 A T H < S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.924 111.7 43.5 -55.5 -48.0 40.6 5.1 19.9 210 213 A L H < S+ 0 0 23 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.748 129.2 26.0 -70.9 -25.7 42.9 6.8 17.5 211 214 A T H < S+ 0 0 59 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.833 113.5 52.5-107.3 -45.4 43.0 10.1 19.4 212 215 A L >< - 0 0 35 -4,-2.8 3,-1.2 -5,-0.3 -1,-0.2 -0.840 46.6-176.7-107.2 106.2 42.3 9.7 23.1 213 216 A P G > S+ 0 0 87 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.741 84.1 66.0 -65.3 -24.4 44.4 7.2 25.1 214 217 A E G 3 S+ 0 0 93 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.202 93.4 60.0 -84.5 15.8 42.4 7.9 28.2 215 218 A T G < S+ 0 0 0 -3,-1.2 -11,-0.7 -7,-0.2 -12,-0.6 0.351 84.0 84.5-119.1 -1.2 39.3 6.5 26.7 216 219 A H < + 0 0 15 -3,-1.0 -12,-0.3 -4,-0.1 -13,-0.3 0.990 50.9 149.1 -66.1 -63.6 40.8 3.0 26.2 217 220 A F S S- 0 0 48 -4,-0.4 -15,-0.1 1,-0.2 -1,-0.1 -0.438 77.8 -31.9 64.1-130.5 40.2 1.4 29.6 218 221 A D S S+ 0 0 52 -17,-1.7 -189,-3.3 1,-0.2 2,-0.3 0.921 128.9 26.3 -87.2 -52.4 39.7 -2.4 29.2 219 222 A L E -fm 29 202B 0 -18,-1.3 -16,-0.6 -191,-0.2 -15,-0.5 -0.773 58.2-160.5-116.1 159.5 38.1 -2.6 25.8 220 223 A V E -fm 30 204B 0 -191,-0.6 -189,-2.9 -2,-0.3 2,-0.8 -0.998 11.3-148.3-137.8 130.5 38.0 -0.6 22.6 221 224 A R E +f 31 0B 0 -17,-2.8 2,-0.5 -2,-0.4 -15,-0.2 -0.850 22.3 176.3-105.7 100.2 35.3 -0.9 20.0 222 225 A T E +f 32 0B 1 -191,-1.5 -189,-1.7 -2,-0.8 -17,-0.1 -0.910 13.3 150.3-111.4 121.8 36.7 -0.1 16.5 223 226 A G > + 0 0 0 -2,-0.5 3,-1.1 -191,-0.2 4,-0.5 0.780 68.1 33.3-107.4 -77.1 34.5 -0.5 13.4 224 227 A L G > >S+ 0 0 0 1,-0.2 3,-2.1 2,-0.2 5,-1.0 0.878 111.0 59.3 -53.0 -49.9 35.4 1.8 10.4 225 228 A A G > 5S+ 0 0 1 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.777 95.5 67.0 -54.4 -26.5 39.1 2.0 10.8 226 229 A V G < 5S+ 0 0 4 -3,-1.1 -1,-0.3 1,-0.3 -209,-0.3 0.782 98.8 50.7 -65.7 -27.1 39.3 -1.7 10.5 227 230 A Y G < 5S- 0 0 3 -3,-2.1 19,-1.7 -4,-0.5 20,-0.4 0.203 121.4-104.0 -96.8 15.1 38.2 -1.5 6.9 228 231 A G T < 5S+ 0 0 0 -3,-1.5 2,-0.4 17,-0.3 -3,-0.2 0.431 82.2 122.2 82.6 -1.8 40.8 1.1 5.9 229 232 A V < - 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