==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-APR-04 1VFH . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LAVENDULAE; . AUTHOR M.NODA,Y.MATOBA,T.KUMAGAI,M.SUGIYAMA . 382 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.7 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 . 2 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 . 27 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 3 1 0 1 1 0 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 3 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 PARALLEL BRIDGES PER LADDER . 1 2 1 1 3 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 1 0 1 0 0 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 3 A E 0 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.0 -8.0 15.8 49.4 2 4 A T - 0 0 87 370,-0.0 5,-0.0 5,-0.0 370,-0.0 -0.972 360.0-117.5-131.7 119.0 -7.9 12.0 49.8 3 5 A P - 0 0 34 0, 0.0 4,-0.1 0, 0.0 366,-0.0 -0.226 19.8-160.5 -52.3 135.5 -11.0 9.7 49.7 4 6 A T S S+ 0 0 122 2,-0.1 249,-0.1 248,-0.0 3,-0.1 0.454 81.4 41.1-100.8 -0.7 -11.4 7.9 53.0 5 7 A R S S- 0 0 73 1,-0.3 248,-2.0 247,-0.1 2,-0.3 0.815 124.5 -31.4-106.9 -66.7 -13.7 5.2 51.8 6 8 A V E +A 252 0A 3 246,-0.2 2,-0.3 277,-0.1 -1,-0.3 -0.960 62.2 169.8-158.4 140.0 -12.7 3.9 48.4 7 9 A Y E -A 251 0A 29 244,-2.6 244,-2.8 -2,-0.3 2,-0.6 -0.992 29.9-124.1-153.8 158.8 -11.0 5.5 45.5 8 10 A A E -Ab 250 371A 0 362,-3.2 364,-3.2 -2,-0.3 2,-0.6 -0.929 19.2-157.2-110.9 117.6 -9.3 4.8 42.1 9 11 A E E -Ab 249 372A 38 240,-2.6 240,-1.6 -2,-0.6 2,-0.6 -0.839 9.5-159.0 -94.6 120.4 -5.8 6.0 41.6 10 12 A I E -Ab 248 373A 0 362,-3.6 364,-2.4 -2,-0.6 2,-1.1 -0.895 7.0-150.4-107.7 113.3 -5.0 6.4 37.9 11 13 A D E >> - b 0 374A 31 236,-3.0 4,-1.1 -2,-0.6 3,-0.8 -0.702 9.9-172.5 -83.1 101.3 -1.3 6.5 37.0 12 14 A L H 3> S+ 0 0 0 362,-3.2 4,-1.9 -2,-1.1 363,-0.2 0.706 83.1 62.9 -66.8 -20.4 -1.2 8.6 33.8 13 15 A D H 3> S+ 0 0 72 361,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.805 98.9 53.3 -74.7 -30.1 2.5 7.7 33.4 14 16 A A H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 231,-0.3 0.862 108.6 52.1 -70.0 -34.8 1.6 4.0 32.9 15 17 A V H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.934 109.9 46.4 -66.1 -46.9 -0.8 5.2 30.2 16 18 A R H X S+ 0 0 39 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.890 113.6 49.5 -62.6 -41.3 1.9 7.2 28.4 17 19 A A H X S+ 0 0 40 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.865 108.4 54.4 -66.2 -37.8 4.4 4.3 28.6 18 20 A N H X S+ 0 0 1 -4,-1.9 4,-2.5 209,-0.2 -2,-0.2 0.905 105.9 49.1 -66.5 -43.0 1.8 1.8 27.3 19 21 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.808 113.3 49.4 -68.2 -25.8 0.9 3.7 24.1 20 22 A R H X S+ 0 0 129 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.908 110.5 48.9 -75.1 -43.8 4.7 4.0 23.5 21 23 A A H X S+ 0 0 34 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.893 116.4 44.9 -60.3 -38.4 5.1 0.3 24.1 22 24 A L H X S+ 0 0 1 -4,-2.5 4,-1.0 2,-0.2 3,-0.5 0.836 107.1 56.7 -75.3 -35.7 2.2 -0.3 21.7 23 25 A R H < S+ 0 0 112 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.862 104.7 53.6 -64.9 -33.8 3.4 2.2 19.1 24 26 A A H < S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.733 101.7 61.1 -70.9 -22.6 6.7 0.2 18.9 25 27 A R H < S+ 0 0 103 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.807 116.1 29.5 -73.6 -31.9 4.6 -2.9 18.3 26 28 A A S >< S+ 0 0 4 -4,-1.0 3,-0.7 -3,-0.4 -1,-0.3 -0.616 72.1 162.7-129.0 70.6 3.1 -1.5 15.1 27 29 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.822 76.2 49.7 -58.2 -37.7 5.8 0.8 13.7 28 30 A R T 3 S+ 0 0 222 -3,-0.1 2,-0.2 -4,-0.1 -4,-0.1 0.700 108.4 64.1 -78.0 -19.5 4.4 1.0 10.2 29 31 A S S < S- 0 0 16 -3,-0.7 2,-0.2 -6,-0.2 191,-0.2 -0.592 81.1-115.3-105.6 166.0 0.9 1.8 11.5 30 32 A A E -f 220 0B 34 189,-3.0 191,-2.2 -2,-0.2 2,-0.5 -0.639 30.3-123.1 -94.7 155.9 -0.8 4.7 13.3 31 33 A L E -f 221 0B 5 24,-0.4 27,-1.9 -2,-0.2 26,-1.3 -0.882 17.0-165.8-109.2 127.0 -2.3 4.2 16.8 32 34 A M E -fg 222 58B 0 189,-3.0 191,-2.1 -2,-0.5 2,-0.7 -0.950 14.8-146.9-108.2 119.8 -5.8 5.0 17.8 33 35 A A E -fg 223 59B 1 25,-2.6 27,-2.6 -2,-0.6 2,-0.7 -0.784 11.1-146.2 -87.6 117.1 -6.4 5.1 21.5 34 36 A V E + g 0 60B 6 189,-1.9 27,-0.2 -2,-0.7 193,-0.1 -0.773 25.3 170.1 -88.3 114.3 -9.9 3.8 22.3 35 37 A V > + 0 0 3 25,-2.3 4,-2.2 -2,-0.7 3,-0.3 -0.019 23.4 144.9-112.4 27.8 -11.3 5.7 25.3 36 38 A K H > + 0 0 56 24,-0.4 4,-2.4 2,-0.2 5,-0.1 -0.225 58.6 30.5 -64.8 157.5 -14.9 4.5 25.1 37 39 A S H > S- 0 0 57 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.932 144.0 -48.8 58.5 50.1 -16.9 4.0 28.4 38 40 A N H 4>S- 0 0 68 -3,-0.3 5,-2.9 1,-0.2 4,-0.5 0.906 110.4 -52.5 57.3 45.0 -15.0 6.7 30.3 39 41 A A H ><5S- 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.941 104.4 -55.1 55.4 52.2 -11.7 5.2 29.1 40 42 A Y H 3<5S- 0 0 18 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 111.2 -46.2 53.8 32.4 -12.6 1.8 30.3 41 43 A G T 3<5S+ 0 0 2 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.442 124.1 98.5 92.4 0.9 -13.3 3.2 33.8 42 44 A H T < 5S- 0 0 0 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.579 99.2 -80.3 -97.7 -11.1 -10.1 5.3 34.0 43 45 A G >< - 0 0 4 -5,-2.9 4,-1.9 -6,-0.2 5,-0.3 0.535 33.2-134.8 109.2 102.8 -11.4 8.7 33.0 44 46 A A H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 96.5 40.9 -52.5 -59.6 -12.0 9.8 29.4 45 47 A V H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.967 116.5 45.9 -61.1 -56.5 -10.5 13.3 29.2 46 48 A P H > S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.907 119.0 42.8 -53.5 -44.2 -7.4 12.8 31.3 47 49 A C H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.870 112.1 53.0 -70.8 -38.0 -6.5 9.5 29.6 48 50 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.945 112.1 46.6 -61.5 -46.4 -7.4 10.9 26.1 49 51 A R H X S+ 0 0 52 -4,-2.8 4,-2.2 331,-0.2 -2,-0.2 0.919 114.0 47.2 -60.5 -47.4 -5.0 13.8 26.7 50 52 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.911 112.5 48.5 -61.8 -46.7 -2.2 11.6 28.1 51 53 A A H <>S+ 0 0 1 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.898 110.5 52.0 -61.2 -43.9 -2.4 9.0 25.2 52 54 A Q H ><5S+ 0 0 65 -4,-2.3 3,-1.7 -5,-0.2 -1,-0.2 0.942 109.0 49.9 -57.6 -50.4 -2.4 11.8 22.6 53 55 A E H 3<5S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.8 56.0 -58.9 -35.6 0.7 13.3 24.1 54 56 A A T 3<5S- 0 0 2 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.487 136.1 -77.1 -78.8 -2.3 2.5 9.9 24.1 55 57 A G T < 5S+ 0 0 26 -3,-1.7 2,-0.4 -4,-0.4 -24,-0.4 0.435 77.5 147.0 125.8 -3.3 1.9 9.5 20.4 56 58 A A < - 0 0 7 -5,-2.4 -1,-0.3 1,-0.2 -24,-0.2 -0.548 21.7-175.2 -68.8 121.1 -1.7 8.5 19.8 57 59 A A + 0 0 59 -26,-1.3 21,-0.8 -2,-0.4 2,-0.3 0.670 68.0 41.2 -89.7 -20.6 -2.7 10.1 16.5 58 60 A W E -gh 32 78B 17 -27,-1.9 -25,-2.6 19,-0.1 2,-0.4 -0.940 65.2-154.2-128.9 150.5 -6.3 9.0 16.7 59 61 A L E -gh 33 79B 0 19,-1.9 21,-1.8 -2,-0.3 2,-0.4 -0.978 14.8-162.8-123.0 136.2 -8.9 8.9 19.4 60 62 A G E +gh 34 80B 0 -27,-2.6 -25,-2.3 -2,-0.4 -24,-0.4 -0.979 13.8 166.8-128.2 133.2 -11.8 6.4 19.3 61 63 A T E - h 0 81B 2 19,-2.5 21,-0.8 -2,-0.4 22,-0.2 -0.898 33.0-132.9-133.4 162.9 -15.1 6.3 21.2 62 64 A A S S+ 0 0 13 -2,-0.3 21,-3.3 19,-0.2 20,-0.4 0.948 84.5 43.6 -83.7 -53.4 -18.3 4.4 20.8 63 65 A T S > S- 0 0 38 19,-0.2 4,-1.7 18,-0.1 5,-0.1 -0.587 76.4-124.7 -98.0 157.3 -20.9 7.0 21.1 64 66 A P H > S+ 0 0 6 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.880 112.3 56.9 -61.0 -40.0 -21.2 10.6 19.6 65 67 A E H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.903 105.0 50.6 -58.6 -44.3 -21.7 12.0 23.1 66 68 A E H > S+ 0 0 32 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.912 114.6 44.3 -60.1 -43.4 -18.4 10.5 24.3 67 69 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.896 113.1 50.3 -68.7 -41.7 -16.7 12.0 21.3 68 70 A L H X S+ 0 0 41 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.837 106.0 56.7 -65.8 -32.6 -18.4 15.3 21.7 69 71 A E H X S+ 0 0 90 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.883 105.5 51.8 -65.5 -36.5 -17.4 15.3 25.4 70 72 A L H ><>S+ 0 0 0 -4,-1.3 5,-1.8 2,-0.2 3,-0.6 0.894 110.8 47.1 -66.3 -40.7 -13.8 15.0 24.2 71 73 A R H ><5S+ 0 0 48 -4,-1.7 3,-2.3 1,-0.2 -2,-0.2 0.930 106.1 57.2 -66.3 -46.2 -14.2 18.0 21.9 72 74 A A H 3<5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.660 100.9 60.1 -59.6 -16.5 -15.8 20.1 24.6 73 75 A A T <<5S- 0 0 27 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.134 123.5-105.7 -97.7 17.5 -12.7 19.5 26.7 74 76 A G T < 5 + 0 0 55 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.596 64.9 156.9 71.9 13.2 -10.6 21.2 24.0 75 77 A I < - 0 0 9 -5,-1.8 -1,-0.2 -4,-0.0 2,-0.2 -0.569 22.8-163.5 -74.3 127.7 -9.1 18.0 22.6 76 78 A Q + 0 0 155 -2,-0.4 2,-0.2 2,-0.0 -1,-0.0 -0.649 39.3 60.7-106.0 166.5 -7.9 18.5 19.0 77 79 A G S S- 0 0 42 -2,-0.2 2,-0.3 2,-0.1 -19,-0.1 -0.523 90.4 -27.0 112.3 178.5 -7.0 15.8 16.5 78 80 A R E +h 58 0B 62 -21,-0.8 -19,-1.9 -2,-0.2 2,-0.3 -0.540 59.2 175.1 -75.2 129.1 -8.7 13.0 14.7 79 81 A I E -h 59 0B 0 18,-0.4 20,-2.8 -2,-0.3 2,-0.3 -0.975 7.2-171.6-133.0 146.6 -11.6 11.4 16.5 80 82 A M E -hi 60 99B 0 -21,-1.8 -19,-2.5 -2,-0.3 2,-0.3 -0.999 6.0-173.3-141.7 142.2 -14.0 8.6 15.4 81 83 A C E -hi 61 100B 0 18,-1.8 20,-1.8 -2,-0.3 -19,-0.2 -0.982 4.9-178.6-133.2 146.0 -17.2 7.1 16.9 82 84 A W + 0 0 20 -21,-0.8 2,-1.0 -20,-0.4 -19,-0.2 0.547 54.9 89.0-123.2 -12.1 -19.1 4.1 15.5 83 85 A L + 0 0 94 -21,-3.3 2,-0.3 -22,-0.2 -1,-0.1 -0.778 54.4 159.5 -97.8 98.0 -22.2 3.4 17.7 84 86 A W - 0 0 19 -2,-1.0 23,-0.1 -21,-0.1 -21,-0.0 -0.827 22.9-165.7-117.3 153.8 -25.0 5.5 16.2 85 87 A T > - 0 0 94 -2,-0.3 3,-2.0 22,-0.0 -2,-0.0 -0.937 45.7 -77.2-132.6 153.9 -28.8 5.3 16.4 86 88 A P T 3 S+ 0 0 90 0, 0.0 21,-0.1 0, 0.0 20,-0.0 -0.269 119.4 25.9 -52.9 131.9 -31.4 7.0 14.2 87 89 A G T 3 S+ 0 0 66 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.425 85.9 148.8 95.9 -2.0 -31.7 10.6 15.3 88 90 A G < - 0 0 19 -3,-2.0 2,-2.0 1,-0.1 3,-0.3 0.071 66.6 -82.0 -57.2 175.5 -28.2 11.0 16.7 89 91 A P > + 0 0 23 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.365 66.3 152.5 -81.2 62.0 -26.3 14.3 16.7 90 92 A W H > S+ 0 0 11 -2,-2.0 4,-2.4 1,-0.2 5,-0.2 0.924 72.1 48.3 -56.2 -48.3 -25.0 14.0 13.1 91 93 A R H > S+ 0 0 113 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.949 111.4 48.7 -57.8 -52.7 -24.8 17.8 12.6 92 94 A E H > S+ 0 0 96 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.883 113.9 47.0 -56.2 -42.2 -23.0 18.4 15.8 93 95 A A H <>S+ 0 0 1 -4,-2.3 5,-2.1 2,-0.2 -1,-0.2 0.853 112.9 48.7 -69.6 -36.3 -20.4 15.7 15.1 94 96 A I H ><5S+ 0 0 5 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.916 111.0 50.6 -68.9 -43.1 -19.9 16.9 11.5 95 97 A E H 3<5S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.772 109.0 51.5 -65.8 -27.0 -19.4 20.5 12.7 96 98 A T T 3<5S- 0 0 39 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.365 116.9-115.8 -91.0 4.8 -16.9 19.3 15.3 97 99 A D T < 5 + 0 0 57 -3,-1.4 2,-0.4 1,-0.2 -18,-0.4 0.964 57.6 158.4 60.1 58.2 -15.0 17.4 12.6 98 100 A I < - 0 0 4 -5,-2.1 2,-0.4 -20,-0.1 25,-0.3 -0.941 43.4-122.3-115.0 133.1 -15.5 13.9 13.9 99 101 A D E -i 80 0B 0 -20,-2.8 -18,-1.8 -2,-0.4 2,-0.4 -0.611 31.3-160.1 -73.4 123.2 -15.2 10.8 11.7 100 102 A V E -ij 81 124B 0 23,-2.0 25,-2.0 -2,-0.4 2,-0.3 -0.870 11.4-128.6-109.7 140.4 -18.4 8.9 11.8 101 103 A S E - j 0 125B 4 -20,-1.8 2,-0.4 -2,-0.4 25,-0.2 -0.614 16.6-156.3 -86.5 144.7 -18.9 5.2 10.9 102 104 A V E + j 0 126B 0 23,-2.9 25,-2.3 -2,-0.3 35,-0.2 -0.988 25.0 159.0-123.8 127.3 -21.6 4.1 8.5 103 105 A S + 0 0 21 -2,-0.4 2,-0.3 23,-0.2 35,-0.2 0.429 65.6 29.1-123.5 -8.2 -22.9 0.5 8.5 104 106 A G S > S- 0 0 16 33,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.949 78.8-107.9-149.0 167.4 -26.3 1.0 6.8 105 107 A M H > S+ 0 0 57 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.889 115.8 61.4 -65.0 -38.9 -28.1 3.1 4.2 106 108 A W H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.872 105.1 48.0 -55.6 -38.6 -30.2 4.7 7.0 107 109 A A H > S+ 0 0 4 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 109.5 52.6 -68.2 -44.6 -26.9 6.1 8.5 108 110 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.878 109.4 49.1 -59.5 -41.2 -25.7 7.4 5.1 109 111 A D H X S+ 0 0 70 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.842 110.2 50.0 -70.5 -32.6 -28.9 9.3 4.5 110 112 A E H X S+ 0 0 58 -4,-1.4 4,-1.4 -5,-0.2 -2,-0.2 0.880 113.1 46.1 -72.9 -37.6 -28.9 10.9 7.9 111 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.874 110.5 53.4 -72.2 -36.3 -25.3 12.1 7.6 112 114 A R H X S+ 0 0 71 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.944 111.6 44.7 -62.2 -48.5 -25.9 13.4 4.0 113 115 A A H X S+ 0 0 66 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.820 114.9 50.1 -64.4 -31.9 -28.8 15.5 5.1 114 116 A A H X S+ 0 0 12 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.829 103.7 57.0 -76.5 -33.3 -26.8 16.7 8.1 115 117 A A H X>S+ 0 0 4 -4,-2.4 5,-2.2 2,-0.2 4,-0.9 0.762 106.5 54.0 -67.7 -24.2 -23.8 17.6 6.0 116 118 A R H <5S+ 0 0 155 -4,-1.0 3,-0.5 2,-0.2 -2,-0.2 0.977 109.7 42.7 -71.7 -60.1 -26.1 19.9 4.1 117 119 A A H <5S+ 0 0 62 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.910 117.3 48.9 -52.4 -45.3 -27.5 21.8 7.1 118 120 A A H <5S- 0 0 16 -4,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.799 104.1-137.6 -65.4 -29.0 -23.9 21.9 8.4 119 121 A G T <5 + 0 0 65 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.884 66.6 98.6 71.5 36.5 -22.8 23.2 5.1 120 122 A R S > - 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