==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, OXIDOREDUCTASE 22-SEP-05 2B3Z . COMPND 2 MOLECULE: RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.J.CHEN,Y.C.CHANG,S.H.LIAW . 1437 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 989 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 178 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 111 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 4 0 1 13 4 11 9 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 22 5 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 PARALLEL BRIDGES PER LADDER . 7 0 0 4 5 3 1 3 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 4 0 0 0 4 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 1 A M > 0 0 132 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -35.8 71.7 11.5 67.5 2 2 A E H > + 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.909 360.0 49.0 -63.4 -35.8 68.2 10.3 66.5 3 3 A E H > S+ 0 0 120 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.802 101.3 62.4 -71.7 -31.2 67.7 14.1 65.8 4 4 A Y H > S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.928 111.1 38.4 -60.4 -44.4 70.9 14.3 63.8 5 5 A Y H X S+ 0 0 24 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.938 115.1 51.6 -72.5 -47.9 69.4 11.8 61.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.901 109.9 52.5 -56.8 -37.5 65.9 13.2 61.4 7 7 A K H X S+ 0 0 83 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.899 107.4 50.0 -65.2 -39.3 67.4 16.7 60.7 8 8 A L H X S+ 0 0 13 -4,-1.5 4,-2.1 -5,-0.2 5,-0.2 0.957 109.7 53.5 -61.5 -45.2 69.2 15.3 57.7 9 9 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.926 108.6 47.8 -53.2 -49.5 65.9 13.9 56.7 10 10 A L H X S+ 0 0 9 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.874 110.8 51.1 -61.3 -39.1 64.2 17.4 57.0 11 11 A D H < S+ 0 0 76 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.824 109.8 50.8 -68.7 -31.3 67.0 19.0 55.0 12 12 A L H >< S+ 0 0 5 -4,-2.1 3,-1.4 -5,-0.2 4,-0.3 0.906 105.9 54.7 -71.4 -41.7 66.6 16.5 52.3 13 13 A A H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.3 4,-0.3 0.927 99.1 63.5 -57.9 -44.3 62.9 17.0 52.1 14 14 A K G >< S+ 0 0 102 -4,-1.8 3,-1.2 1,-0.3 -1,-0.3 0.696 86.5 72.5 -54.4 -22.8 63.5 20.8 51.6 15 15 A Q G < S+ 0 0 21 -3,-1.4 741,-0.4 -4,-0.5 -1,-0.3 0.646 95.2 53.3 -70.6 -12.3 65.3 20.1 48.2 16 16 A G G X S+ 0 0 0 -3,-2.2 3,-0.9 -4,-0.3 4,-0.4 0.555 74.4 139.8 -97.4 -7.0 61.9 19.2 46.7 17 17 A E T < S+ 0 0 96 -3,-1.2 -3,-0.0 -4,-0.3 26,-0.0 -0.068 77.0 8.8 -41.8 121.6 60.2 22.4 47.7 18 18 A G T 3 S+ 0 0 63 3,-0.2 -1,-0.2 167,-0.1 194,-0.2 0.844 110.5 83.1 74.0 37.2 58.0 23.5 44.7 19 19 A Q S < S+ 0 0 26 -3,-0.9 26,-2.1 4,-0.2 -2,-0.2 0.240 80.1 64.0-143.9 -2.7 58.4 20.4 42.6 20 20 A T S > S- 0 0 4 -4,-0.4 3,-3.5 1,-0.3 26,-0.2 0.331 79.6-159.5-108.5 4.9 55.7 18.4 44.3 21 21 A E T 3 S- 0 0 94 1,-0.3 -1,-0.3 24,-0.1 -3,-0.2 -0.316 80.2 -7.4 53.5-118.6 52.7 20.6 43.4 22 22 A S T 3 S+ 0 0 33 -3,-0.1 -1,-0.3 -2,-0.1 261,-0.0 0.473 114.9 104.4 -85.3 -4.3 50.1 19.5 46.0 23 23 A N S < S- 0 0 43 -3,-3.5 -3,-0.2 1,-0.1 -4,-0.2 -0.524 76.0-108.4 -80.2 147.3 52.2 16.6 47.4 24 24 A P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.355 27.7-112.3 -74.4 152.1 54.0 17.0 50.7 25 25 A L - 0 0 12 108,-0.1 2,-0.3 -2,-0.1 -12,-0.1 -0.658 42.5-178.8 -79.6 137.9 57.8 17.3 51.0 26 26 A V - 0 0 11 -2,-0.3 16,-1.3 -13,-0.3 2,-0.4 -0.999 15.5-161.5-144.3 139.5 59.3 14.2 52.6 27 27 A G E -A 41 0A 0 -2,-0.3 43,-1.8 14,-0.2 2,-0.3 -0.940 7.2-173.2-121.9 145.8 62.8 13.1 53.6 28 28 A A E -AB 40 69A 0 12,-2.6 12,-2.2 -2,-0.4 2,-0.4 -1.000 4.3-172.5-139.8 136.4 64.2 9.6 54.4 29 29 A V E -AB 39 68A 0 39,-2.3 39,-2.4 -2,-0.3 2,-0.6 -0.989 10.9-153.4-134.0 126.7 67.5 8.4 55.7 30 30 A V E -AB 38 67A 0 8,-2.7 7,-3.0 -2,-0.4 8,-1.1 -0.864 14.1-174.9-100.1 114.4 68.6 4.7 55.9 31 31 A V E +AB 36 66A 3 35,-2.1 35,-3.3 -2,-0.6 5,-0.2 -0.929 7.5 171.5-111.6 129.4 71.2 4.1 58.6 32 32 A K S S- 0 0 56 3,-2.5 2,-0.4 -2,-0.5 -1,-0.2 0.817 72.7 -4.7-100.2 -84.9 72.8 0.6 59.0 33 33 A D S S- 0 0 98 2,-0.1 3,-0.1 32,-0.0 -1,-0.1 -0.456 128.2 -56.5-109.5 58.8 75.7 0.1 61.4 34 34 A G S S+ 0 0 28 -2,-0.4 2,-0.4 1,-0.2 -3,-0.0 0.510 117.2 115.0 82.0 3.3 76.1 3.7 62.4 35 35 A Q S S- 0 0 35 704,-0.0 -3,-2.5 729,-0.0 2,-0.8 -0.914 71.4-124.5-114.8 134.7 76.5 4.4 58.6 36 36 A I E +A 31 0A 4 -2,-0.4 -5,-0.2 699,-0.4 3,-0.1 -0.601 37.8 164.5 -73.1 108.9 74.3 6.5 56.3 37 37 A V E + 0 0 5 -7,-3.0 2,-0.3 -2,-0.8 -6,-0.2 0.525 59.8 20.8-105.5 -9.3 73.5 4.0 53.4 38 38 A G E -A 30 0A 0 -8,-1.1 -8,-2.7 20,-0.1 2,-0.3 -0.966 53.9-175.4-161.1 145.5 70.6 5.8 51.8 39 39 A M E +A 29 0A 11 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 13.8 171.6-140.5 142.6 69.0 9.2 51.5 40 40 A G E -A 28 0A 0 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.3 -1.000 13.1-179.2-154.7 154.3 65.8 10.3 49.7 41 41 A A E -A 27 0A 0 -2,-0.3 2,-1.0 -14,-0.2 -14,-0.2 -0.957 40.7-105.0-145.5 158.4 63.4 13.2 49.2 42 42 A H + 0 0 8 -16,-1.3 -16,-0.2 -2,-0.3 -23,-0.2 -0.816 48.6 163.6 -89.0 106.1 60.2 13.6 47.2 43 43 A L + 0 0 4 -2,-1.0 2,-0.4 5,-0.3 -1,-0.2 0.725 51.7 40.0 -98.4 -27.5 61.5 15.6 44.3 44 44 A K S > S- 0 0 46 4,-0.4 3,-2.0 -24,-0.1 -24,-0.2 -0.986 83.2-105.1-133.0 137.5 58.8 15.3 41.6 45 45 A Y T 3 S+ 0 0 114 -26,-2.1 3,-0.1 -2,-0.4 -24,-0.1 -0.211 105.4 5.1 -53.5 140.2 55.0 15.4 41.6 46 46 A G T 3 S+ 0 0 65 -26,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.636 113.2 107.5 58.5 13.8 53.4 12.0 41.0 47 47 A E S < S- 0 0 83 -3,-2.0 -1,-0.2 1,-0.2 -3,-0.0 -0.656 78.3 -39.2-116.0 176.0 56.8 10.4 41.1 48 48 A A - 0 0 35 -2,-0.2 -4,-0.4 -3,-0.1 -5,-0.3 0.201 58.8-123.0 -34.5 142.1 58.7 8.3 43.6 49 49 A H >> - 0 0 71 -7,-0.1 4,-1.7 -3,-0.1 3,-0.6 -0.502 28.1-103.4 -86.4 161.0 58.4 9.0 47.3 50 50 A A H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.881 121.3 53.9 -51.0 -44.7 61.4 9.8 49.5 51 51 A E H 3> S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.876 104.8 55.5 -61.3 -36.6 61.4 6.3 51.1 52 52 A V H <> S+ 0 0 55 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.915 111.7 42.4 -63.8 -42.5 61.5 4.7 47.6 53 53 A H H X S+ 0 0 34 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.957 116.0 48.3 -67.8 -49.2 64.7 6.7 46.7 54 54 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.879 112.5 48.2 -59.1 -41.5 66.3 6.1 50.1 55 55 A I H X S+ 0 0 15 -4,-2.7 4,-1.2 -5,-0.2 7,-0.2 0.928 111.3 49.6 -66.7 -45.6 65.6 2.3 50.1 56 56 A H H >< S+ 0 0 109 -4,-1.8 3,-0.7 -5,-0.3 -2,-0.2 0.925 110.5 49.7 -59.4 -46.9 66.9 1.8 46.6 57 57 A M H 3< S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 106.4 58.2 -60.5 -35.3 70.1 3.6 47.3 58 58 A A H >< S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 0.773 81.7 169.8 -66.9 -26.6 70.5 1.5 50.4 59 59 A G G X< - 0 0 42 -4,-1.2 3,-2.1 -3,-0.7 4,-0.3 -0.154 68.7 -4.5 50.7-140.9 70.5 -1.7 48.4 60 60 A A G > S+ 0 0 90 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.780 126.6 73.5 -51.6 -30.9 71.5 -4.8 50.4 61 61 A H G < S+ 0 0 32 -3,-1.8 4,-0.3 1,-0.3 -1,-0.3 0.692 74.3 79.1 -59.8 -22.4 72.2 -2.5 53.4 62 62 A A G X S+ 0 0 3 -3,-2.1 3,-2.1 -7,-0.2 -1,-0.3 0.871 71.0 101.6 -53.8 -37.6 68.5 -1.9 54.1 63 63 A E T < S- 0 0 119 -3,-1.5 29,-0.2 -4,-0.3 28,-0.2 -0.268 100.7 -2.3 -51.2 119.8 68.6 -5.4 55.7 64 64 A G T 3 S+ 0 0 37 27,-1.7 -1,-0.3 1,-0.2 28,-0.1 0.288 108.3 131.6 80.2 -10.9 68.7 -4.9 59.5 65 65 A A < - 0 0 0 -3,-2.1 28,-2.8 -4,-0.3 29,-1.4 0.019 54.9-124.4 -73.1 174.2 68.8 -1.1 59.1 66 66 A D E -Bc 31 94A 18 -35,-3.3 -35,-2.1 27,-0.2 2,-0.4 -0.803 22.9-158.9-110.2 156.2 67.0 1.9 60.7 67 67 A I E -Bc 30 95A 0 27,-1.6 29,-3.0 -2,-0.3 2,-0.5 -0.995 6.2-153.9-143.1 136.5 65.2 4.5 58.6 68 68 A Y E +Bc 29 96A 5 -39,-2.4 -39,-2.3 -2,-0.4 2,-0.4 -0.934 15.9 178.2-111.5 129.9 64.1 8.0 59.4 69 69 A V E -Bc 28 97A 0 27,-2.7 29,-2.1 -2,-0.5 -41,-0.2 -0.994 26.8-146.2-134.0 136.5 61.1 9.6 57.6 70 70 A T S S+ 0 0 3 -43,-1.8 2,-0.3 -2,-0.4 29,-0.2 0.623 87.7 33.4 -80.4 -13.6 59.8 13.0 58.2 71 71 A L S S- 0 0 15 -44,-0.3 29,-0.2 27,-0.2 -1,-0.1 -0.996 103.3 -85.0-142.0 141.5 56.2 12.0 57.5 72 72 A E - 0 0 2 27,-1.9 2,-0.1 -2,-0.3 3,-0.1 -0.180 55.2-105.7 -46.9 128.0 54.4 8.6 58.2 73 73 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 -0.363 41.7 -99.7 -62.1 129.3 55.0 6.3 55.2 74 74 A C - 0 0 21 1,-0.1 10,-2.3 -2,-0.1 11,-0.3 -0.079 35.3-172.0 -47.5 149.1 52.0 5.9 53.0 75 75 A S + 0 0 5 8,-0.2 2,-0.3 7,-0.1 -1,-0.1 0.186 44.5 105.9-132.1 9.3 50.0 2.7 53.5 76 76 A H - 0 0 101 5,-0.1 2,-0.8 1,-0.0 7,-0.1 -0.693 68.0-122.5 -94.9 154.2 47.4 2.6 50.7 77 77 A Y + 0 0 150 -2,-0.3 2,-0.1 4,-0.1 -2,-0.0 -0.843 50.4 142.7 -99.8 102.2 47.6 0.2 47.8 78 78 A G S S- 0 0 48 2,-1.1 -1,-0.0 -2,-0.8 0, 0.0 -0.027 74.3 -39.4-111.5-144.1 47.6 2.1 44.5 79 79 A K S S+ 0 0 218 -2,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.882 132.2 27.6 -53.5 -43.3 49.6 1.3 41.3 80 80 A T S S- 0 0 97 1,-0.1 -2,-1.1 0, 0.0 3,-0.1 -0.807 103.8 -82.8-117.8 162.0 52.7 0.3 43.4 81 81 A P - 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.270 55.4 -99.8 -61.4 149.6 53.0 -1.1 46.9 82 82 A P > - 0 0 2 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.298 28.9-111.7 -68.4 153.5 52.8 1.5 49.7 83 83 A C H > S+ 0 0 3 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.883 116.9 59.2 -57.4 -41.0 56.1 2.7 51.4 84 84 A A H > S+ 0 0 0 -10,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.928 110.4 44.3 -53.8 -41.4 55.3 1.0 54.7 85 85 A E H > S+ 0 0 48 -3,-0.4 4,-2.9 -11,-0.3 -1,-0.2 0.889 110.5 54.3 -69.0 -38.8 55.1 -2.3 52.7 86 86 A L H X S+ 0 0 55 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.908 110.5 47.7 -60.3 -42.7 58.3 -1.3 50.8 87 87 A I H >X>S+ 0 0 0 -4,-3.2 5,-1.1 2,-0.2 4,-0.8 0.959 109.9 51.5 -63.2 -52.2 60.0 -0.8 54.2 88 88 A I H ><5S+ 0 0 35 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.954 112.3 46.4 -48.8 -56.6 58.7 -4.2 55.6 89 89 A N H 3<5S+ 0 0 123 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.758 103.7 61.7 -62.8 -24.6 60.0 -6.1 52.6 90 90 A S H <<5S- 0 0 20 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.647 111.5-114.5 -77.9 -13.6 63.4 -4.4 52.6 91 91 A G T <<5 + 0 0 10 -3,-1.5 -27,-1.7 -4,-0.8 -3,-0.1 0.491 53.8 163.5 96.6 2.0 64.2 -5.8 56.1 92 92 A I < - 0 0 2 -5,-1.1 -1,-0.2 -29,-0.2 -26,-0.2 -0.279 19.7-166.6 -52.2 136.9 64.4 -2.5 58.0 93 93 A K + 0 0 109 -28,-2.8 27,-2.7 1,-0.3 2,-0.4 0.683 66.2 33.3-103.9 -21.7 64.1 -3.3 61.7 94 94 A R E -cd 66 120A 71 -29,-1.4 -27,-1.6 25,-0.2 2,-0.4 -0.999 61.7-164.3-139.6 138.7 63.4 0.1 63.1 95 95 A V E -cd 67 121A 0 25,-3.3 27,-2.4 -2,-0.4 2,-0.6 -0.972 4.6-161.2-123.9 132.7 61.6 3.1 61.8 96 96 A F E -cd 68 122A 3 -29,-3.0 -27,-2.7 -2,-0.4 2,-0.5 -0.943 14.2-173.6-114.0 111.7 61.7 6.7 63.2 97 97 A V E -cd 69 123A 0 25,-2.4 27,-1.5 -2,-0.6 28,-0.4 -0.922 18.8-158.1-111.9 122.8 58.7 8.8 62.1 98 98 A A S S- 0 0 1 -29,-2.1 2,-0.3 -2,-0.5 26,-0.3 0.924 74.1 -9.0 -61.1 -47.5 58.6 12.6 62.8 99 99 A M S S- 0 0 15 -29,-0.2 -27,-1.9 -30,-0.2 -1,-0.2 -0.990 70.2-102.5-153.7 158.9 54.7 12.8 62.5 100 100 A R - 0 0 105 -2,-0.3 7,-0.1 -29,-0.2 6,-0.0 -0.337 51.9 -81.9 -80.5 161.0 51.6 11.0 61.5 101 101 A D - 0 0 33 1,-0.1 6,-0.2 5,-0.1 -1,-0.2 -0.282 35.7-133.7 -57.2 144.4 49.6 11.4 58.3 102 102 A P S S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.826 81.5 94.4 -75.2 -26.1 47.3 14.5 58.6 103 103 A N > - 0 0 48 1,-0.2 4,-2.8 2,-0.1 3,-0.5 -0.457 70.0-147.7 -67.0 130.6 44.4 12.5 57.1 104 104 A P T 4 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.803 98.5 57.2 -68.5 -28.7 42.2 11.0 59.9 105 105 A L T 4 S+ 0 0 133 1,-0.1 -2,-0.1 3,-0.0 -4,-0.0 0.777 119.2 30.7 -72.8 -24.2 41.3 8.1 57.8 106 106 A V T >4 S+ 0 0 18 -3,-0.5 3,-2.8 2,-0.1 4,-0.5 0.790 83.6 119.6-103.8 -36.6 45.1 7.3 57.3 107 107 A A T 3< S+ 0 0 43 -4,-2.8 -7,-0.1 1,-0.3 0, 0.0 -0.002 89.2 5.8 -39.0 123.6 46.9 8.4 60.5 108 108 A G T 3> S+ 0 0 9 1,-0.0 4,-3.0 4,-0.0 5,-0.3 0.175 100.6 106.8 86.5 -17.9 48.6 5.5 62.3 109 109 A R H <> S+ 0 0 83 -3,-2.8 4,-2.2 2,-0.2 -2,-0.1 0.941 83.6 40.9 -59.4 -51.8 47.8 3.1 59.5 110 110 A G H > S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 5,-0.2 0.946 114.9 53.8 -62.4 -46.6 51.3 3.0 58.1 111 111 A I H >> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.966 112.4 41.5 -49.6 -62.2 52.7 2.9 61.7 112 112 A S H 3X S+ 0 0 60 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.857 109.8 60.0 -55.9 -37.8 50.6 -0.1 62.7 113 113 A M H 3< S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.909 110.9 40.2 -57.0 -45.8 51.2 -1.8 59.4 114 114 A M H X<>S+ 0 0 0 -4,-2.2 3,-2.3 -3,-0.5 5,-0.7 0.892 111.8 54.1 -73.6 -42.7 55.0 -1.8 60.0 115 115 A K H ><5S+ 0 0 104 -4,-2.6 3,-2.6 1,-0.3 -2,-0.2 0.945 101.3 63.6 -56.4 -41.2 54.8 -2.7 63.7 116 116 A E T 3<5S+ 0 0 166 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.398 99.5 53.6 -64.6 6.3 52.7 -5.7 62.6 117 117 A A T < 5S- 0 0 50 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.373 125.4 -95.2-120.5 3.2 55.8 -6.9 60.7 118 118 A G T < 5S+ 0 0 68 -3,-2.6 -3,-0.1 1,-0.4 -2,-0.1 -0.164 81.4 134.5 111.3 -37.5 58.2 -6.9 63.7 119 119 A I < - 0 0 10 -5,-0.7 2,-0.4 -27,-0.1 -1,-0.4 -0.103 55.0-127.7 -48.6 136.5 59.7 -3.5 63.0 120 120 A E E -d 94 0A 84 -27,-2.7 -25,-3.3 -3,-0.1 2,-0.5 -0.753 24.1-158.8 -89.1 135.0 60.1 -1.2 65.9 121 121 A V E -d 95 0A 18 -2,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.949 10.8-174.4-124.8 115.4 58.5 2.3 65.4 122 122 A R E -d 96 0A 143 -27,-2.4 -25,-2.4 -2,-0.5 2,-0.3 -0.885 14.2-165.0-105.9 133.8 59.4 5.4 67.4 123 123 A E E +d 97 0A 67 -2,-0.4 -25,-0.2 -27,-0.2 -24,-0.1 -0.773 51.9 41.6-119.8 161.5 57.4 8.6 66.8 124 124 A G > + 0 0 38 -27,-1.5 3,-2.2 -26,-0.3 2,-0.2 0.170 57.5 150.1 98.3 -19.6 57.7 12.4 67.5 125 125 A I T 3 S- 0 0 33 -28,-0.4 -1,-0.2 1,-0.3 5,-0.1 -0.315 84.8 -12.4 -55.7 113.4 61.3 13.1 66.7 126 126 A L T 3> S+ 0 0 28 -2,-0.2 4,-2.5 3,-0.1 3,-0.4 0.777 84.4 159.6 63.6 31.8 61.5 16.8 65.5 127 127 A A H <> + 0 0 32 -3,-2.2 4,-2.3 1,-0.2 5,-0.1 0.865 66.8 56.5 -49.3 -48.3 57.7 16.9 65.1 128 128 A D H > S+ 0 0 123 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.917 112.0 42.3 -51.4 -49.3 57.6 20.8 65.2 129 129 A Q H > S+ 0 0 80 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.894 111.4 53.8 -67.9 -40.6 60.0 21.0 62.3 130 130 A A H X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.863 112.1 49.7 -60.5 -31.0 58.3 18.2 60.4 131 131 A E H < S+ 0 0 44 -4,-2.3 3,-0.5 -5,-0.3 -2,-0.2 0.943 108.8 46.9 -71.9 -51.0 55.3 20.4 61.0 132 132 A R H >< S+ 0 0 138 -4,-2.7 3,-1.2 1,-0.2 4,-0.2 0.842 102.4 70.3 -61.3 -33.3 56.7 23.7 59.7 133 133 A L H 3< S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.924 117.1 16.3 -50.3 -53.0 58.0 21.8 56.8 134 134 A N T 3X S+ 0 0 13 -4,-1.0 4,-4.3 -3,-0.5 5,-0.3 -0.110 81.9 142.7-115.2 34.3 54.5 21.2 55.2 135 135 A E H <> S+ 0 0 37 -3,-1.2 4,-2.1 1,-0.2 5,-0.2 0.817 75.3 42.7 -42.6 -45.0 52.6 23.8 57.2 136 136 A K H > S+ 0 0 46 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.968 118.3 44.1 -71.0 -50.6 50.4 24.8 54.2 137 137 A F H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 113.0 53.7 -58.0 -44.2 49.8 21.3 53.0 138 138 A L H X S+ 0 0 1 -4,-4.3 4,-2.0 -7,-0.2 -1,-0.2 0.926 110.7 44.7 -58.1 -47.7 49.2 20.2 56.6 139 139 A H H X S+ 0 0 41 -4,-2.1 4,-1.7 -5,-0.3 6,-0.5 0.892 112.1 53.9 -63.1 -41.6 46.5 22.8 57.2 140 140 A F H X S+ 0 0 31 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.901 110.9 44.3 -60.7 -43.6 44.9 22.0 53.9 141 141 A M H < S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 113.8 50.6 -71.5 -35.1 44.6 18.3 54.6 142 142 A R H < S+ 0 0 119 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.726 128.0 18.4 -76.6 -23.0 43.3 18.8 58.2 143 143 A T H < S- 0 0 78 -4,-1.7 -2,-0.2 2,-0.2 -3,-0.2 0.564 92.2-125.3-121.6 -19.3 40.5 21.3 57.3 144 144 A G S < S+ 0 0 43 -4,-2.1 -4,-0.2 -5,-0.4 -3,-0.1 0.647 78.3 105.5 80.0 11.3 39.9 20.9 53.6 145 145 A L S S- 0 0 65 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 -0.943 77.7-100.8-123.3 147.7 40.5 24.6 53.1 146 146 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 140,-0.3 -0.239 39.1-105.3 -64.4 154.3 43.5 26.4 51.5 147 147 A Y E -e 286 0B 7 138,-2.4 140,-2.9 -11,-0.1 2,-0.5 -0.713 42.9-152.4 -78.1 122.7 46.1 28.0 53.9 148 148 A V E -e 287 0B 0 -2,-0.6 158,-2.7 138,-0.2 159,-1.4 -0.857 17.8-174.6-107.1 131.7 45.4 31.7 53.6 149 149 A T E -ef 288 307B 0 138,-3.0 140,-3.3 -2,-0.5 2,-0.4 -0.979 11.4-156.0-119.0 129.6 48.0 34.5 54.1 150 150 A L E -ef 289 308B 0 157,-3.1 159,-2.7 -2,-0.5 2,-0.4 -0.880 16.5-178.0-103.7 137.7 46.8 38.1 54.0 151 151 A K E + f 0 309B 14 138,-2.6 2,-0.3 -2,-0.4 159,-0.2 -1.000 8.8 157.9-139.7 142.8 49.4 40.7 53.1 152 152 A A E - f 0 310B 9 157,-1.8 159,-2.5 -2,-0.4 2,-0.4 -0.980 27.6-136.9-155.4 161.0 49.3 44.5 52.8 153 153 A A E + f 0 311B 18 -2,-0.3 2,-0.3 157,-0.2 159,-0.2 -0.982 31.9 161.3-126.4 135.0 51.6 47.5 52.8 154 154 A A E - f 0 312B 1 157,-3.0 159,-2.0 -2,-0.4 6,-0.2 -0.892 40.6 -94.2-145.1 174.6 50.7 50.7 54.6 155 155 A S E > - f 0 313B 1 4,-2.6 3,-2.1 -2,-0.3 161,-0.2 -0.416 54.3 -95.8 -82.2 169.0 52.0 53.9 56.1 156 156 A L T 3 S+ 0 0 2 159,-2.0 160,-0.2 157,-0.8 -1,-0.1 0.736 126.5 55.5 -59.5 -24.6 52.8 53.9 59.8 157 157 A D T 3 S- 0 0 0 158,-0.6 528,-0.7 2,-0.1 529,-0.5 0.219 126.4 -97.8 -94.4 12.9 49.4 55.3 60.6 158 158 A G S < S+ 0 0 0 -3,-2.1 167,-1.2 1,-0.2 2,-0.4 0.661 75.3 139.3 84.8 19.3 47.6 52.5 58.8 159 159 A K B -M 324 0C 2 165,-0.2 -4,-2.6 1,-0.1 -1,-0.2 -0.771 37.2-167.9-100.4 143.4 46.9 54.0 55.3 160 160 A I S S- 0 0 48 163,-1.9 2,-0.3 -2,-0.4 164,-0.1 0.375 79.7 -4.2-102.2 -1.5 47.3 52.1 52.1 161 161 A A S S- 0 0 8 162,-0.6 -1,-0.3 9,-0.1 6,-0.2 -0.940 81.0 -91.7-175.8 165.7 46.9 55.3 50.0 162 162 A T > - 0 0 1 4,-2.1 3,-1.7 -2,-0.3 530,-0.2 -0.169 55.1 -88.0 -77.2-176.5 46.2 59.0 50.4 163 163 A S T 3 S+ 0 0 45 528,-0.5 529,-0.1 1,-0.3 -1,-0.1 0.650 130.1 55.6 -69.3 -17.6 42.6 60.4 50.2 164 164 A T T 3 S- 0 0 84 528,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.345 122.2-104.4 -96.7 8.4 43.1 60.7 46.5 165 165 A G S < S+ 0 0 54 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.516 70.3 149.1 86.7 0.4 44.0 57.0 46.0 166 166 A D + 0 0 21 526,-0.4 -4,-2.1 1,-0.1 -1,-0.3 -0.547 11.6 160.3 -72.1 123.0 47.7 57.7 45.6 167 167 A S > + 0 0 45 -2,-0.4 3,-1.2 -6,-0.2 4,-0.3 0.143 23.1 138.6-129.6 16.3 49.8 54.8 46.9 168 168 A K T 3 S+ 0 0 113 1,-0.2 -2,-0.0 2,-0.1 -7,-0.0 -0.437 76.8 6.6 -64.5 137.5 53.1 55.6 45.0 169 169 A W T 3 S+ 0 0 148 2,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.769 84.9 126.1 62.4 31.1 56.1 55.1 47.3 170 170 A I S < S+ 0 0 7 -3,-1.2 2,-0.4 1,-0.2 -16,-0.1 0.829 75.6 37.7 -85.4 -32.0 54.2 53.6 50.3 171 171 A T S S- 0 0 34 -4,-0.3 -1,-0.2 -18,-0.1 -2,-0.2 -0.945 85.5-124.4-118.7 145.0 56.5 50.5 50.3 172 172 A S > - 0 0 17 -2,-0.4 4,-2.4 176,-0.2 3,-0.3 -0.392 29.2-109.3 -80.1 157.6 60.3 50.4 49.6 173 173 A E H > S+ 0 0 136 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.824 120.3 58.1 -56.3 -33.0 61.7 48.2 46.9 174 174 A A H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 106.9 45.8 -63.9 -45.8 63.2 46.0 49.7 175 175 A A H > S+ 0 0 1 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.925 112.7 50.4 -65.9 -43.3 59.8 45.4 51.2 176 176 A R H X S+ 0 0 95 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.887 111.2 49.1 -61.6 -36.8 58.3 44.6 47.8 177 177 A Q H < S+ 0 0 102 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.884 111.5 49.2 -70.1 -37.1 61.1 42.1 47.1 178 178 A D H >< S+ 0 0 44 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.894 110.3 50.5 -68.4 -38.6 60.6 40.5 50.4 179 179 A A H >X S+ 0 0 3 -4,-2.5 3,-1.5 1,-0.3 4,-0.5 0.832 96.3 71.6 -67.9 -29.7 56.9 40.2 49.8 180 180 A Q T >< S+ 0 0 8 -4,-1.6 3,-0.9 1,-0.3 4,-0.3 0.744 81.6 73.7 -58.7 -22.9 57.6 38.6 46.5 181 181 A Q T X> S+ 0 0 82 -3,-1.2 3,-1.6 -4,-0.5 4,-1.1 0.871 90.2 57.0 -60.3 -35.8 58.8 35.5 48.3 182 182 A Y H <> S+ 0 0 19 -3,-1.5 4,-1.1 -4,-0.3 -1,-0.2 0.752 92.3 68.1 -68.5 -22.3 55.2 34.6 49.1 183 183 A R H << S+ 0 0 8 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.613 106.3 43.8 -71.6 -7.2 54.3 34.6 45.5 184 184 A K H <4 S+ 0 0 92 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.729 112.0 49.1-103.7 -29.7 56.5 31.5 45.4 185 185 A T H < S+ 0 0 45 -4,-1.1 2,-0.3 29,-0.0 -2,-0.2 0.461 104.7 66.9 -89.3 -4.8 55.3 29.7 48.5 186 186 A H S < S- 0 0 8 -4,-1.1 101,-0.1 1,-0.1 3,-0.1 -0.890 72.3-141.0-117.1 151.5 51.6 30.0 47.7 187 187 A Q S S+ 0 0 40 -2,-0.3 28,-2.7 27,-0.1 2,-0.3 0.665 84.9 26.0 -84.2 -14.2 49.8 28.3 44.8 188 188 A S E -gh 215 287B 0 98,-0.6 100,-2.8 26,-0.3 2,-0.4 -0.990 61.9-146.0-147.9 155.6 47.6 31.3 44.1 189 189 A I E -gh 216 288B 0 26,-2.7 28,-3.5 -2,-0.3 2,-0.4 -0.986 24.3-162.2-121.5 130.9 47.5 35.1 44.4 190 190 A L E +gh 217 289B 0 98,-3.0 100,-1.7 -2,-0.4 101,-0.9 -0.931 19.6 149.6-127.5 140.3 44.2 36.8 45.1 191 191 A V E -gh 218 291B 0 26,-2.0 28,-2.3 -2,-0.4 2,-0.2 -0.949 41.5-104.4-150.7 165.7 42.8 40.4 44.8 192 192 A G E >> -g 219 0B 8 99,-1.0 3,-1.2 -2,-0.3 4,-1.1 -0.538 40.8-104.1 -89.7 163.6 39.5 42.1 44.1 193 193 A V H 3> S+ 0 0 16 26,-2.5 4,-2.7 1,-0.3 5,-0.2 0.724 116.7 72.5 -59.2 -22.6 38.8 43.7 40.8 194 194 A G H 3> S+ 0 0 49 25,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.895 94.9 50.5 -57.9 -43.3 39.4 47.1 42.4 195 195 A T H <>>S+ 0 0 20 -3,-1.2 4,-3.0 1,-0.2 5,-0.9 0.909 110.5 49.8 -62.3 -44.3 43.2 46.3 42.6 196 196 A V H X5S+ 0 0 3 -4,-1.1 4,-1.1 3,-0.2 -2,-0.2 0.923 113.4 46.0 -61.9 -43.1 43.2 45.4 38.9 197 197 A K H <5S+ 0 0 112 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.912 121.6 36.4 -67.5 -41.8 41.3 48.7 38.0 198 198 A A H <5S+ 0 0 80 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.912 136.6 14.2 -77.7 -44.9 43.5 50.9 40.2 199 199 A D H <5S- 0 0 97 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.628 75.6-147.9-109.3 -17.3 46.9 49.3 39.8 200 200 A N << - 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