==== 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 27-MAY-04 1VZW . COMPND 2 MOLECULE: PHOSPHORIBOSYL ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR J.KUPER,M.WILMANNS . 224 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 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 . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 2 0 0 2 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 2 A S 0 0 158 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 152.7 28.8 33.2 44.3 2 3 A K - 0 0 83 1,-0.1 2,-0.2 196,-0.0 224,-0.1 -0.423 360.0 -82.3 -78.1 159.6 25.2 33.6 43.2 3 4 A L - 0 0 3 222,-0.4 2,-0.3 -2,-0.1 201,-0.3 -0.461 48.0-125.5 -57.5 129.2 23.4 30.9 41.2 4 5 A E E -a 204 0A 46 199,-2.6 201,-2.5 -2,-0.2 2,-0.4 -0.598 19.1-144.9 -77.0 140.2 24.3 31.2 37.5 5 6 A L E -a 205 0A 7 -2,-0.3 35,-0.5 199,-0.2 34,-0.5 -0.921 13.0-171.4-109.6 133.0 21.3 31.5 35.1 6 7 A L E -a 206 0A 0 199,-2.6 201,-1.7 -2,-0.4 35,-0.2 -0.794 11.8-156.8-123.9 83.6 21.5 29.9 31.7 7 8 A P E -a 207 0A 1 0, 0.0 35,-2.5 0, 0.0 2,-0.2 -0.443 21.9-133.1 -60.6 134.7 18.5 31.1 29.6 8 9 A A E -b 42 0A 2 199,-2.4 2,-0.4 33,-0.2 35,-0.2 -0.606 22.1-165.8 -97.6 150.4 17.8 28.5 26.9 9 10 A V E -b 43 0A 0 33,-2.5 35,-2.8 -2,-0.2 2,-0.6 -0.961 15.7-164.5-126.7 112.1 17.2 28.8 23.2 10 11 A D E -b 44 0A 34 7,-0.5 7,-2.6 -2,-0.4 2,-0.5 -0.892 10.4-150.4-104.9 118.8 15.9 25.4 21.9 11 12 A V E +bC 45 16A 0 33,-3.3 35,-1.6 -2,-0.6 36,-0.9 -0.810 24.8 161.2-104.9 121.5 16.0 25.1 18.1 12 13 A R E > S- C 0 15A 86 3,-2.5 3,-1.7 -2,-0.5 -2,-0.0 -0.996 74.7 -10.7-134.3 132.5 13.7 23.1 16.0 13 14 A D T 3 S- 0 0 124 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.890 130.0 -52.9 45.8 47.6 13.2 23.6 12.2 14 15 A G T 3 S+ 0 0 31 1,-0.2 2,-0.3 40,-0.0 -1,-0.3 0.564 118.7 102.1 74.9 9.5 15.1 26.9 12.3 15 16 A Q E < S-C 12 0A 68 -3,-1.7 -3,-2.5 10,-0.1 2,-0.5 -0.907 77.2-113.6-128.8 147.8 13.0 28.4 15.1 16 17 A A E -C 11 0A 0 8,-2.8 7,-3.8 -2,-0.3 8,-0.4 -0.726 52.1-179.5 -71.7 124.8 13.2 29.0 18.9 17 18 A V B L 22 0B 18 -7,-2.6 -7,-0.5 -2,-0.5 5,-0.2 -0.774 360.0 360.0-130.5 169.1 10.5 26.7 20.2 18 19 A R 0 0 123 3,-1.5 3,-0.1 -2,-0.3 -9,-0.0 -0.781 360.0 360.0 -85.2 360.0 8.8 25.6 23.5 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 28 A E 0 0 182 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.5 4.7 23.3 19.8 21 29 A T - 0 0 59 -3,-0.1 -3,-1.5 2,-0.0 2,-0.4 -0.524 360.0-142.9 -74.9 131.8 4.8 27.1 20.1 22 30 A S B -L 17 0B 51 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.817 15.6-171.4 -94.7 136.0 7.3 29.0 17.9 23 31 A Y - 0 0 65 -7,-3.8 2,-0.2 -2,-0.4 -6,-0.2 0.063 40.2-129.8-109.4 18.6 9.1 32.0 19.2 24 32 A G + 0 0 35 -8,-0.4 -8,-2.8 4,-0.1 -1,-0.4 -0.452 69.5 30.9 77.2-138.5 10.6 32.9 15.8 25 33 A S > - 0 0 50 -10,-0.2 4,-2.1 -2,-0.2 -10,-0.1 -0.377 53.7-155.4 -68.0 123.8 14.4 33.6 15.3 26 34 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.877 98.6 53.8 -57.5 -40.1 16.8 31.8 17.6 27 35 A L H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 109.6 45.9 -63.1 -46.6 19.3 34.6 17.0 28 36 A E H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 112.7 51.5 -61.8 -39.6 16.8 37.3 18.0 29 37 A A H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.931 111.4 46.9 -64.4 -44.5 15.9 35.3 21.1 30 38 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.913 111.9 49.9 -62.9 -45.7 19.5 34.9 22.1 31 39 A L H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.838 107.4 56.0 -63.1 -33.1 20.3 38.6 21.6 32 40 A A H X S+ 0 0 35 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.917 107.8 47.0 -66.7 -43.6 17.2 39.5 23.7 33 41 A W H <>S+ 0 0 32 -4,-1.9 5,-2.3 1,-0.2 3,-0.3 0.940 112.2 51.1 -61.8 -44.3 18.5 37.5 26.7 34 42 A Q H ><5S+ 0 0 41 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.907 109.7 49.4 -59.3 -44.2 21.9 39.1 26.3 35 43 A R H 3<5S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 106.7 56.7 -64.8 -30.8 20.4 42.6 26.2 36 44 A S T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.311 131.8 -88.4 -85.0 4.6 18.3 41.7 29.4 37 45 A G T < 5 + 0 0 41 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.521 65.4 166.0 107.1 10.5 21.6 40.8 31.3 38 46 A A < - 0 0 7 -5,-2.3 -1,-0.2 1,-0.2 3,-0.1 -0.293 21.6-169.3 -58.6 139.1 22.2 37.1 30.6 39 47 A E S S+ 0 0 88 -34,-0.5 30,-1.6 1,-0.2 2,-0.3 0.572 75.8 31.4 -97.7 -20.0 25.7 35.9 31.5 40 48 A W E - d 0 69A 5 -35,-0.5 2,-0.4 28,-0.2 30,-0.2 -0.959 62.5-154.3-135.7 152.7 25.1 32.6 29.7 41 49 A L E - d 0 70A 1 28,-1.8 30,-2.9 -2,-0.3 2,-0.7 -0.999 7.9-156.9-124.4 129.9 23.2 31.3 26.7 42 50 A H E -bd 8 71A 11 -35,-2.5 -33,-2.5 -2,-0.4 2,-0.5 -0.910 18.1-170.6-105.1 103.8 22.1 27.6 26.7 43 51 A L E -bd 9 72A 1 28,-2.8 30,-2.1 -2,-0.7 2,-0.5 -0.864 1.6-169.3-107.4 119.3 21.7 26.8 23.0 44 52 A V E -bd 10 73A 13 -35,-2.8 -33,-3.3 -2,-0.5 2,-1.1 -0.928 21.7-150.0-117.8 128.8 20.1 23.5 22.0 45 53 A D E > +b 11 0A 9 28,-2.7 4,-2.1 -2,-0.5 5,-0.1 -0.769 19.0 178.6 -89.8 93.3 19.8 21.7 18.7 46 54 A L H > S+ 0 0 30 -35,-1.6 4,-2.0 -2,-1.1 6,-0.2 0.813 77.4 57.2 -65.7 -33.5 16.6 19.8 19.2 47 55 A D H >>S+ 0 0 13 -36,-0.9 5,-2.2 2,-0.2 4,-0.7 0.929 111.1 42.6 -63.5 -42.0 16.6 18.3 15.7 48 56 A A H 45S+ 0 0 15 1,-0.2 3,-0.5 3,-0.2 -2,-0.2 0.891 114.0 52.2 -70.6 -36.7 20.0 16.8 16.3 49 57 A A H <5S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 117.8 37.5 -64.8 -34.5 19.0 15.7 19.8 50 58 A F H <5S- 0 0 103 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.385 112.0-114.1-100.4 -0.9 15.8 13.9 18.4 51 59 A G T <5S+ 0 0 62 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.738 81.3 119.6 71.3 24.6 17.3 12.6 15.2 52 60 A T S + 0 0 16 -2,-0.3 4,-2.7 -42,-0.1 5,-0.2 -0.227 50.7 137.0-131.5 42.2 20.5 23.3 12.9 56 64 A R H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.892 70.8 43.5 -64.0 -46.4 24.3 23.3 12.9 57 65 A A H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 116.0 48.2 -68.4 -41.4 24.9 26.3 10.6 58 66 A L H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.912 111.3 50.1 -64.4 -42.5 22.1 28.4 12.3 59 67 A I H X S+ 0 0 15 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.906 108.1 54.0 -64.1 -37.6 23.4 27.6 15.8 60 68 A A H X S+ 0 0 41 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.912 107.8 50.5 -62.2 -43.8 26.9 28.6 14.7 61 69 A E H X S+ 0 0 117 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.890 111.2 48.5 -58.5 -42.8 25.6 31.9 13.5 62 70 A V H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.939 111.3 49.3 -64.9 -46.3 23.8 32.5 16.9 63 71 A A H >< S+ 0 0 8 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.887 108.0 54.3 -61.4 -39.1 26.9 31.6 18.8 64 72 A Q H 3< S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 104.4 55.9 -63.5 -33.2 29.1 33.9 16.7 65 73 A A H 3< S+ 0 0 32 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.681 91.3 94.3 -72.4 -21.0 26.7 36.8 17.5 66 74 A M << - 0 0 15 -3,-0.9 4,-0.1 -4,-0.7 -35,-0.0 -0.483 46.6-175.2 -80.3 144.1 27.1 36.4 21.3 67 75 A D S S+ 0 0 148 -2,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.375 70.8 75.4-104.8 -1.6 29.5 38.2 23.5 68 76 A I S S- 0 0 40 1,-0.1 -28,-0.2 -28,-0.0 -29,-0.1 -0.453 99.8 -70.5-104.5 176.7 28.5 36.2 26.6 69 77 A K E -d 40 0A 81 -30,-1.6 -28,-1.8 -2,-0.1 2,-0.4 -0.400 49.5-153.7 -70.3 141.6 29.3 32.6 27.6 70 78 A V E -d 41 0A 6 -30,-0.2 21,-2.1 19,-0.2 22,-1.5 -0.971 12.7-167.5-124.0 136.0 27.7 29.9 25.4 71 79 A E E -de 42 92A 0 -30,-2.9 -28,-2.8 -2,-0.4 2,-0.4 -0.988 15.8-159.0-116.7 124.4 26.8 26.3 26.3 72 80 A L E +de 43 93A 7 20,-2.1 22,-2.4 -2,-0.5 2,-0.3 -0.841 15.4 167.4-109.2 142.5 25.9 24.1 23.4 73 81 A S E +de 44 94A 24 -30,-2.1 -28,-2.7 -2,-0.4 -24,-0.1 -0.996 23.9 88.2-147.2 149.4 23.9 20.9 23.4 74 82 A G S S- 0 0 11 20,-0.6 -25,-0.1 -2,-0.3 3,-0.1 0.415 91.6 -4.9 128.9 105.2 22.2 18.5 21.0 75 83 A G S S+ 0 0 17 1,-0.2 2,-1.2 -27,-0.2 3,-0.1 0.706 73.8 150.5 70.1 22.6 23.4 15.5 19.0 76 84 A I + 0 0 14 18,-0.3 22,-0.3 1,-0.2 20,-0.3 -0.733 18.3 130.6 -92.1 96.3 27.0 15.9 20.1 77 85 A R + 0 0 78 -2,-1.2 2,-0.3 -3,-0.1 -1,-0.2 0.287 56.8 28.1-135.8 4.5 28.0 12.3 20.0 78 86 A D S > S- 0 0 73 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.947 87.7 -83.3-161.8 177.1 31.2 11.9 18.0 79 87 A D H > S+ 0 0 76 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.878 120.2 46.0 -60.0 -41.8 34.5 13.6 17.0 80 88 A D H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 113.0 47.4 -74.4 -38.9 33.2 15.6 14.1 81 89 A T H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 115.4 47.3 -69.9 -35.6 30.0 16.9 15.8 82 90 A L H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.911 108.8 54.4 -68.2 -41.6 32.1 17.9 18.8 83 91 A A H X S+ 0 0 58 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.935 110.7 45.6 -58.4 -46.7 34.7 19.6 16.7 84 92 A A H X S+ 0 0 41 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.932 113.4 50.3 -61.2 -44.6 32.1 21.8 15.0 85 93 A A H ><>S+ 0 0 12 -4,-2.1 3,-1.2 1,-0.2 5,-0.7 0.925 112.2 46.2 -61.2 -46.0 30.5 22.6 18.3 86 94 A L H ><5S+ 0 0 23 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.845 101.2 66.8 -67.0 -30.9 33.9 23.6 19.9 87 95 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.648 85.1 73.1 -68.4 -13.1 34.8 25.7 16.8 88 96 A T T <<5S- 0 0 34 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.612 111.2-119.2 -65.1 -12.7 31.9 28.1 17.7 89 97 A G T < 5 + 0 0 62 -3,-2.0 -19,-0.2 1,-0.2 -2,-0.1 0.605 55.2 167.2 72.0 17.8 34.2 29.3 20.6 90 98 A C < - 0 0 3 -5,-0.7 -1,-0.2 1,-0.1 -19,-0.2 -0.156 44.4-126.8 -58.7 153.9 31.5 28.1 23.1 91 99 A T S S- 0 0 54 -21,-2.1 2,-0.3 1,-0.3 -20,-0.2 0.854 82.3 -20.7 -71.7 -37.9 32.5 27.9 26.7 92 100 A R E -e 71 0A 6 -22,-1.5 -20,-2.1 -7,-0.1 2,-0.3 -0.985 57.1-133.7-162.5 167.0 31.4 24.3 27.0 93 101 A V E -ef 72 117A 0 23,-2.8 25,-2.0 -2,-0.3 2,-0.5 -0.839 18.4-129.6-118.8 160.8 29.2 21.6 25.5 94 102 A N E -ef 73 118A 9 -22,-2.4 -20,-0.6 -2,-0.3 2,-0.5 -0.966 14.9-161.9-112.9 126.9 26.8 19.1 27.0 95 103 A L E + f 0 119A 0 23,-2.4 25,-3.0 -2,-0.5 -18,-0.1 -0.948 24.3 152.5-102.5 127.4 27.0 15.4 26.2 96 104 A G >> + 0 0 15 -2,-0.5 3,-1.6 -20,-0.3 4,-0.8 0.624 67.8 28.7-115.3 -86.1 23.9 13.4 27.0 97 105 A T H >> S+ 0 0 4 1,-0.3 4,-2.4 2,-0.2 3,-0.7 0.809 114.9 64.1 -49.8 -37.5 23.1 10.3 25.0 98 106 A A H 3> S+ 0 0 1 -22,-0.3 4,-2.5 1,-0.2 8,-0.3 0.781 94.3 59.3 -62.6 -32.3 26.7 9.7 24.3 99 107 A A H <4 S+ 0 0 0 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.1 39.3 -64.3 -34.3 27.5 9.1 28.0 100 108 A L H << S+ 0 0 37 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.891 125.5 34.4 -78.6 -44.2 25.1 6.3 28.0 101 109 A E H < S+ 0 0 75 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.831 129.8 23.2 -90.1 -35.2 25.9 4.8 24.6 102 110 A T >X + 0 0 58 -4,-2.5 4,-2.0 -5,-0.2 3,-0.7 -0.611 61.4 165.9-133.4 71.0 29.6 5.3 24.2 103 111 A P H 3> S+ 0 0 35 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.825 78.6 57.2 -58.2 -30.7 31.2 5.7 27.6 104 112 A E H 3> S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.850 105.9 49.4 -69.4 -36.0 34.7 5.2 26.1 105 113 A W H <> S+ 0 0 24 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.929 110.9 49.9 -67.4 -44.6 34.2 8.1 23.7 106 114 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 -8,-0.3 5,-0.2 0.933 109.7 51.0 -59.2 -44.2 33.1 10.4 26.6 107 115 A A H X S+ 0 0 26 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.919 111.0 49.9 -58.9 -44.1 36.1 9.4 28.6 108 116 A K H X S+ 0 0 75 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.921 111.5 46.1 -60.7 -47.1 38.4 10.2 25.7 109 117 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.846 108.9 55.0 -76.2 -28.8 36.9 13.6 25.1 110 118 A I H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.944 109.9 48.2 -57.6 -46.8 36.9 14.6 28.8 111 119 A A H < S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.849 118.3 41.0 -64.0 -34.3 40.7 13.8 28.8 112 120 A E H < S+ 0 0 111 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.826 129.8 22.9 -81.2 -33.9 41.2 15.9 25.6 113 121 A H H >< S- 0 0 71 -4,-2.4 3,-1.6 1,-0.2 -3,-0.2 0.554 79.0-166.8-120.2 -12.5 38.9 18.8 26.4 114 122 A G G >< S+ 0 0 32 -4,-2.6 3,-1.9 -5,-0.3 39,-0.3 -0.351 74.8 2.6 61.8-132.3 38.5 19.1 30.2 115 123 A D G 3 S+ 0 0 97 1,-0.3 -1,-0.3 38,-0.1 -5,-0.1 0.358 110.5 86.0 -83.9 14.5 35.7 21.4 31.3 116 124 A K G < S+ 0 0 81 -3,-1.6 -23,-2.8 -24,-0.1 2,-0.5 0.604 89.2 68.7 -68.6 -13.2 34.7 22.1 27.7 117 125 A I E < +f 93 0A 0 -3,-1.9 36,-0.5 -25,-0.2 2,-0.3 -0.931 59.6 172.5-109.8 128.0 32.7 19.0 28.4 118 126 A A E -f 94 0A 0 -25,-2.0 -23,-2.4 -2,-0.5 2,-0.5 -0.961 25.7-134.6-121.8 147.9 29.8 18.7 30.8 119 127 A V E -fg 95 155A 0 35,-2.2 37,-2.2 -2,-0.3 2,-0.4 -0.914 10.0-142.1-109.2 126.5 27.7 15.5 31.0 120 128 A G E - g 0 156A 15 -25,-3.0 2,-0.5 -2,-0.5 37,-0.2 -0.689 13.3-164.9 -86.8 129.8 23.9 15.6 31.0 121 129 A L E - g 0 157A 2 35,-3.3 37,-2.6 -2,-0.4 2,-0.7 -0.978 4.4-164.5-120.4 112.8 22.2 13.1 33.3 122 130 A D E - g 0 158A 26 -2,-0.5 7,-1.9 7,-0.4 2,-0.5 -0.913 18.6-165.3-100.2 111.9 18.4 12.5 32.8 123 131 A V E -Hg 128 159A 0 35,-3.1 37,-4.0 -2,-0.7 2,-0.8 -0.873 23.6-173.1-113.2 117.7 17.2 10.7 35.9 124 132 A R E > S-H 127 0A 55 3,-2.8 3,-1.4 -2,-0.5 2,-1.0 -0.918 82.4 -47.0-101.9 102.6 13.9 8.9 36.3 125 133 A G T 3 S- 0 0 54 -2,-0.8 -2,-0.1 1,-0.2 35,-0.0 -0.644 123.8 -27.5 75.3-104.5 14.1 8.1 40.0 126 134 A T T 3 S+ 0 0 74 -2,-1.0 14,-2.1 2,-0.1 2,-0.3 -0.033 122.3 85.4-131.9 28.9 17.6 6.7 40.3 127 135 A T E < S-HI 124 139A 56 -3,-1.4 -3,-2.8 12,-0.2 12,-0.2 -0.944 72.8-119.9-125.6 155.7 18.1 5.4 36.8 128 136 A L E -H 123 0A 2 10,-2.1 9,-2.2 -2,-0.3 10,-0.4 -0.555 20.3-161.1 -97.8 156.6 19.2 7.2 33.7 129 137 A R - 0 0 66 -7,-1.9 -7,-0.4 7,-0.2 2,-0.3 -0.984 5.1-163.0-138.0 145.5 17.4 7.8 30.3 130 138 A G - 0 0 24 5,-0.5 -9,-0.0 -2,-0.3 7,-0.0 -0.853 29.1-129.6-130.0 164.1 18.6 8.7 26.8 131 139 A R S S+ 0 0 103 -2,-0.3 4,-0.1 -82,-0.0 -1,-0.0 0.449 87.7 73.2 -88.3 -4.4 17.3 10.0 23.5 132 140 A G S S- 0 0 28 2,-0.3 -2,-0.1 -35,-0.0 -34,-0.0 0.088 106.6 -70.0 -89.8-152.7 19.0 7.3 21.5 133 141 A W S S+ 0 0 234 2,-0.0 2,-0.6 1,-0.0 -3,-0.0 0.904 111.0 74.6 -74.6 -45.5 18.3 3.6 21.0 134 142 A T - 0 0 50 1,-0.2 -4,-0.3 -37,-0.1 -2,-0.3 -0.622 58.4-177.2 -72.8 117.0 19.2 2.3 24.5 135 143 A R + 0 0 69 -2,-0.6 2,-0.6 1,-0.1 -5,-0.5 0.828 65.9 60.1 -86.2 -36.3 16.4 3.5 26.8 136 144 A D + 0 0 116 -7,-0.1 -7,-0.2 1,-0.1 -1,-0.1 -0.868 53.6 176.0 -98.6 121.3 17.8 2.2 30.2 137 145 A G - 0 0 25 -9,-2.2 -8,-0.2 -2,-0.6 -1,-0.1 0.275 40.0-128.2-105.6 7.8 21.1 3.7 31.2 138 146 A G - 0 0 24 -10,-0.4 -10,-2.1 4,-0.0 -1,-0.3 -0.231 55.1 -2.0 80.4-165.5 21.4 2.0 34.6 139 147 A D B > -I 127 0A 51 -12,-0.2 4,-1.7 1,-0.1 -12,-0.2 -0.363 52.4-141.2 -72.3 130.0 22.1 3.3 38.1 140 148 A L H > S+ 0 0 2 -14,-2.1 4,-2.6 1,-0.2 5,-0.2 0.915 101.3 50.8 -49.1 -49.3 22.7 7.0 38.6 141 149 A Y H > S+ 0 0 95 -15,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.836 105.8 53.8 -70.5 -34.0 25.4 6.4 41.2 142 150 A E H > S+ 0 0 136 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 112.7 45.1 -60.2 -43.7 27.4 3.9 39.2 143 151 A T H X S+ 0 0 8 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.911 111.2 52.3 -70.5 -42.8 27.6 6.4 36.3 144 152 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.900 110.6 48.7 -57.4 -42.2 28.5 9.3 38.7 145 153 A D H X S+ 0 0 74 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.931 112.6 47.9 -64.4 -44.4 31.4 7.2 40.1 146 154 A R H X S+ 0 0 73 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.946 116.0 42.7 -61.0 -50.0 32.6 6.3 36.6 147 155 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 4,-0.3 0.868 111.3 55.8 -68.5 -39.3 32.5 9.9 35.3 148 156 A N H ><5S+ 0 0 23 -4,-2.6 3,-1.6 -5,-0.3 -1,-0.2 0.950 110.4 45.1 -51.5 -51.7 34.0 11.3 38.6 149 157 A K H 3<5S+ 0 0 162 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.720 106.7 59.4 -76.4 -15.7 37.0 9.0 38.2 150 158 A E T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.420 121.4-106.4 -83.9 -3.5 37.3 9.9 34.5 151 159 A G T < 5 - 0 0 41 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.619 50.6-179.9 88.9 18.1 37.8 13.5 35.5 152 160 A C < - 0 0 0 -5,-2.6 -1,-0.2 1,-0.1 -37,-0.1 -0.281 15.9-155.1 -55.7 128.9 34.3 14.8 34.4 153 161 A A + 0 0 22 -36,-0.5 2,-0.3 -39,-0.3 -1,-0.1 0.690 63.6 2.4 -83.8 -20.9 34.3 18.5 35.2 154 162 A R - 0 0 23 -37,-0.3 -35,-2.2 23,-0.2 2,-0.3 -0.979 55.9-143.9-169.3 146.0 30.5 19.2 35.5 155 163 A Y E -gj 119 179A 0 23,-2.3 25,-2.5 -2,-0.3 2,-0.5 -0.943 5.7-153.7-121.2 142.5 27.1 17.5 35.4 156 164 A V E -gj 120 180A 5 -37,-2.2 -35,-3.3 -2,-0.3 2,-0.5 -0.988 23.1-156.4-112.8 120.1 23.7 18.9 34.1 157 165 A V E +gj 121 181A 5 23,-2.7 25,-2.5 -2,-0.5 2,-0.4 -0.875 16.2 177.5-114.0 124.6 20.9 17.2 36.0 158 166 A T E -g 122 0A 30 -37,-2.6 -35,-3.1 -2,-0.5 2,-0.7 -0.969 28.2-128.2-124.0 134.1 17.3 16.7 34.8 159 167 A D E g 123 0A 63 23,-0.5 -35,-0.2 -2,-0.4 -37,-0.1 -0.806 360.0 360.0 -86.9 113.8 14.5 14.9 36.6 160 168 A I 0 0 130 -37,-4.0 -36,-0.2 -2,-0.7 -37,-0.2 0.784 360.0 360.0 92.2 360.0 12.9 12.3 34.3 161 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 162 176 A G 0 0 84 0, 0.0 23,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -79.5 8.6 22.0 40.1 163 177 A P - 0 0 25 0, 0.0 2,-1.5 0, 0.0 3,-0.1 -0.456 360.0-121.2 -75.2 145.4 12.3 21.1 40.5 164 178 A N > + 0 0 52 1,-0.2 4,-2.0 -2,-0.1 5,-0.1 -0.686 34.4 175.7 -85.4 87.6 13.4 18.0 42.2 165 179 A L H > S+ 0 0 66 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.791 77.0 58.3 -62.3 -30.9 15.5 19.6 45.0 166 180 A E H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 106.4 47.4 -67.2 -43.9 16.1 16.1 46.6 167 181 A L H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 111.4 51.5 -60.9 -46.0 17.7 14.8 43.4 168 182 A L H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.933 112.3 45.0 -58.8 -46.7 19.9 17.9 43.0 169 183 A K H X S+ 0 0 130 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.891 110.8 55.0 -64.7 -38.6 21.1 17.5 46.6 170 184 A N H X S+ 0 0 61 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.880 109.3 46.8 -63.2 -38.0 21.6 13.8 46.1 171 185 A V H >< S+ 0 0 0 -4,-2.4 3,-0.8 2,-0.2 4,-0.4 0.921 109.7 54.2 -69.4 -41.7 23.9 14.4 43.1 172 186 A C H >< S+ 0 0 12 -4,-2.2 3,-0.8 1,-0.3 -2,-0.2 0.846 105.7 54.4 -55.4 -36.4 25.8 17.1 45.0 173 187 A A H 3< S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.775 107.1 51.5 -68.0 -27.6 26.4 14.5 47.7 174 188 A A T << S+ 0 0 30 -3,-0.8 2,-0.3 -4,-0.8 -1,-0.2 0.393 113.8 33.2 -93.7 1.5 27.9 12.1 45.1 175 189 A T < - 0 0 19 -3,-0.8 4,-0.1 -4,-0.4 -30,-0.0 -0.994 52.7-146.3-156.6 154.4 30.4 14.4 43.6 176 190 A D S S+ 0 0 130 -2,-0.3 -4,-0.1 2,-0.1 -3,-0.1 0.095 77.2 99.1-104.9 17.0 32.8 17.3 44.1 177 191 A R S S- 0 0 62 1,-0.1 -23,-0.2 -5,-0.0 -2,-0.1 -0.809 87.2 -89.8-101.8 145.0 32.1 18.6 40.6 178 192 A P - 0 0 38 0, 0.0 -23,-2.3 0, 0.0 2,-0.4 -0.201 38.0-148.2 -55.3 142.6 29.7 21.5 39.9 179 193 A V E -jk 155 202A 1 22,-2.0 24,-2.8 -25,-0.2 25,-0.9 -0.957 5.4-158.8-116.4 133.1 26.1 20.5 39.2 180 194 A V E -jk 156 204A 0 -25,-2.5 -23,-2.7 -2,-0.4 2,-0.3 -0.962 16.6-134.2-116.2 124.8 23.8 22.5 36.9 181 195 A A E -jk 157 205A 5 23,-2.8 25,-2.7 -2,-0.5 2,-0.4 -0.622 24.2-173.5 -78.2 135.0 20.0 22.2 37.4 182 196 A S E - k 0 206A 27 -25,-2.5 -23,-0.5 -2,-0.3 25,-0.1 -0.996 41.7 -1.6-134.0 130.9 18.0 21.7 34.2 183 197 A G S S+ 0 0 41 23,-0.8 3,-0.1 -2,-0.4 -1,-0.1 0.157 87.6 72.0 84.1 161.9 14.2 21.6 33.8 184 198 A G + 0 0 36 1,-0.2 2,-0.6 -21,-0.1 23,-0.1 0.457 60.0 134.6 73.2 0.7 11.2 21.8 36.1 185 199 A V + 0 0 9 21,-0.2 25,-0.5 -23,-0.2 -1,-0.2 -0.738 10.5 147.4 -78.5 117.2 11.7 25.6 36.7 186 200 A S + 0 0 71 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.379 59.8 31.7-128.1 2.6 8.2 27.2 36.4 187 201 A S S > S- 0 0 35 1,-0.1 4,-1.4 34,-0.0 3,-0.4 -0.984 76.3-112.1-154.8 159.5 8.5 30.0 38.9 188 202 A L H > S+ 0 0 34 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.862 118.7 60.2 -61.1 -33.4 10.8 32.5 40.6 189 203 A D H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 99.7 55.0 -65.1 -32.8 10.3 30.5 43.8 190 204 A D H > S+ 0 0 23 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.904 108.8 48.6 -61.6 -42.4 11.7 27.5 42.0 191 205 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.876 109.8 51.1 -66.6 -38.9 14.8 29.5 41.2 192 206 A R H X S+ 0 0 121 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.895 109.8 50.8 -63.0 -40.0 15.1 30.7 44.8 193 207 A A H < S+ 0 0 40 -4,-2.2 4,-0.2 2,-0.2 3,-0.2 0.908 111.2 46.9 -64.7 -43.0 14.8 27.1 46.1 194 208 A I H >< S+ 0 0 1 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.904 107.0 57.8 -65.5 -39.5 17.6 26.0 43.7 195 209 A A H >< S+ 0 0 28 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.800 94.7 67.1 -63.4 -25.8 19.8 29.0 44.7 196 210 A G T 3< S+ 0 0 56 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.673 95.6 57.3 -65.8 -14.8 19.5 27.7 48.3 197 211 A L T X>>S+ 0 0 26 -3,-2.3 5,-1.9 -4,-0.2 4,-0.9 0.345 73.2 102.2 -97.3 3.4 21.5 24.7 47.1 198 212 A V G X45S+ 0 0 37 -3,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.921 80.1 52.0 -54.6 -47.3 24.5 26.7 45.9 199 213 A P G 345S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.792 104.9 57.5 -59.7 -27.5 26.6 25.8 49.0 200 214 A A G <45S- 0 0 49 -3,-0.7 -2,-0.2 -4,-0.1 -3,-0.1 0.645 134.0 -87.0 -75.1 -18.4 25.9 22.1 48.4 201 215 A G T <<5S+ 0 0 30 -3,-1.4 -22,-2.0 -4,-0.9 2,-0.7 0.514 79.9 139.9 120.6 12.5 27.4 22.5 45.0 202 216 A V E < + k 0 179A 1 -5,-1.9 -1,-0.3 -24,-0.2 -22,-0.2 -0.787 23.4 179.2 -80.7 118.8 24.7 23.6 42.6 203 217 A E E - 0 0 44 -24,-2.8 -199,-2.6 -2,-0.7 2,-0.3 0.796 53.3 -13.3 -89.7 -34.8 26.4 26.1 40.3 204 218 A G E -ak 4 180A 0 -25,-0.9 -23,-2.8 -201,-0.3 2,-0.4 -0.945 51.8-126.2-161.7 170.5 23.6 27.2 37.9 205 219 A A E -ak 5 181A 0 -201,-2.5 -199,-2.6 -2,-0.3 2,-0.4 -0.993 14.4-143.4-137.8 131.3 20.1 26.6 36.5 206 220 A I E -ak 6 182A 9 -25,-2.7 -23,-0.8 -2,-0.4 2,-0.4 -0.763 22.6-172.4 -88.4 131.2 19.0 26.3 32.9 207 221 A V E +a 7 0A 6 -201,-1.7 -199,-2.4 -2,-0.4 -165,-0.1 -0.984 22.8 140.0-132.8 123.1 15.6 27.9 32.2 208 222 A G >> + 0 0 15 -2,-0.4 4,-1.4 -201,-0.2 3,-1.2 0.620 63.8 42.3-117.6 -80.9 13.7 27.7 29.0 209 223 A K H 3> S+ 0 0 96 1,-0.3 4,-2.3 2,-0.2 6,-0.2 0.793 110.1 53.3 -46.2 -52.4 9.9 27.2 29.0 210 224 A A H 34>S+ 0 0 5 -25,-0.5 5,-1.8 1,-0.2 6,-0.9 0.808 108.4 51.7 -62.3 -34.5 8.9 29.7 31.7 211 225 A L H X45S+ 0 0 8 -3,-1.2 3,-0.9 3,-0.2 -1,-0.2 0.911 110.6 45.6 -67.2 -46.2 10.8 32.5 30.1 212 226 A Y H 3<5S+ 0 0 14 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.881 109.6 55.8 -66.0 -38.8 9.2 32.1 26.6 213 227 A A T 3<5S- 0 0 53 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.546 111.5-124.8 -65.1 -13.2 5.8 31.8 28.2 214 228 A K T < 5 + 0 0 171 -3,-0.9 -3,-0.2 2,-0.3 3,-0.1 0.719 67.2 139.2 68.9 23.6 6.4 35.2 29.9 215 229 A A S - 0 0 59 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.571 25.3-116.6 -94.0 162.2 11.1 37.9 32.8 218 232 A L H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.861 118.7 57.4 -66.6 -31.9 14.9 37.3 32.8 219 233 A E H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 107.6 45.8 -62.7 -43.6 15.2 40.6 34.7 220 234 A E H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.897 112.6 52.4 -63.8 -39.0 12.9 39.3 37.4 221 235 A A H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.902 109.2 47.3 -64.7 -43.5 14.9 36.0 37.4 222 236 A L H X S+ 0 0 31 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.853 112.3 51.2 -68.7 -35.0 18.3 37.7 37.9 223 237 A E H >< S+ 0 0 138 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.928 106.9 53.5 -63.9 -45.4 16.9 39.9 40.6 224 238 A A H 3< S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.826 113.5 42.3 -62.6 -34.5 15.5 36.8 42.5 225 239 A T H 3< 0 0 12 -4,-1.5 -222,-0.4 1,-0.1 -1,-0.3 0.495 360.0 360.0 -91.6 -6.2 18.9 35.1 42.4 226 240 A S << 0 0 98 -3,-0.8 -2,-0.2 -4,-0.8 -3,-0.1 0.917 360.0 360.0 -76.3 360.0 20.8 38.3 43.3