==== 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 22-FEB-05 1YXY . COMPND 2 MOLECULE: PUTATIVE N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMER . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR F.J.ROTELLA,R.G.ZHANG,L.E.O.LEZONDRA,F.R.COLLART,A.JOACHIMIA . 460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 0 0.0 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 . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 2 0 0 0 8 4 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 K 0 0 89 0, 0.0 2,-0.1 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 77.9 68.0 1.8 17.2 2 5 A P - 0 0 49 0, 0.0 130,-0.2 0, 0.0 2,-0.1 -0.469 360.0-108.9 -74.0 150.1 66.8 5.4 17.5 3 6 A T > - 0 0 83 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.375 30.2-111.1 -66.6 157.4 64.2 6.2 20.2 4 7 A K H > S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 119.9 53.5 -56.3 -41.0 60.8 7.0 18.9 5 8 A E H > S+ 0 0 154 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 110.7 44.5 -59.6 -49.9 61.3 10.6 20.0 6 9 A K H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.886 114.9 48.4 -64.8 -40.0 64.6 11.0 18.2 7 10 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.923 109.7 52.3 -66.4 -42.8 63.2 9.3 15.0 8 11 A M H X S+ 0 0 64 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.890 108.2 52.0 -58.7 -40.3 60.1 11.5 15.1 9 12 A E H < S+ 0 0 147 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.904 111.8 47.1 -60.1 -42.8 62.3 14.6 15.4 10 13 A Q H < S+ 0 0 82 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 117.3 41.0 -66.0 -41.4 64.3 13.4 12.3 11 14 A L H >< S+ 0 0 5 -4,-2.5 3,-1.8 -5,-0.1 198,-0.3 0.728 84.6 115.5 -83.4 -25.0 61.2 12.6 10.2 12 15 A K T 3< S- 0 0 167 -4,-2.0 196,-0.1 1,-0.3 195,-0.1 -0.237 89.7 -3.1 -58.5 126.4 59.0 15.6 11.1 13 16 A G T 3 S+ 0 0 51 193,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.593 114.5 99.8 73.1 13.9 58.2 18.0 8.2 14 17 A G S < S- 0 0 15 -3,-1.8 2,-0.5 188,-0.0 195,-0.4 -0.546 71.9-103.8-121.0-175.1 60.4 16.0 5.7 15 18 A I - 0 0 53 31,-0.3 33,-2.3 -2,-0.2 34,-0.8 -0.965 17.7-157.0-118.2 127.6 60.1 13.4 2.9 16 19 A I E -ab 49 210A 2 193,-3.4 195,-2.7 -2,-0.5 2,-0.5 -0.876 19.8-143.5 -94.4 132.9 61.0 9.8 3.2 17 20 A V E -ab 50 211A 5 32,-2.3 34,-2.0 -2,-0.4 2,-0.6 -0.899 0.1-145.0-107.2 122.9 61.9 8.3 -0.2 18 21 A S E -a 51 0A 9 193,-2.3 2,-0.6 -2,-0.5 198,-0.3 -0.761 13.9-168.5 -83.7 120.8 60.9 4.7 -1.0 19 22 A C + 0 0 0 32,-3.0 34,-0.4 -2,-0.6 2,-0.3 -0.758 27.5 146.7-115.8 81.7 63.6 3.2 -3.2 20 23 A Q + 0 0 8 -2,-0.6 2,-0.3 32,-0.1 7,-0.1 -0.890 22.7 169.4-123.6 146.8 62.1 -0.1 -4.6 21 24 A A - 0 0 6 -2,-0.3 8,-0.2 32,-0.1 14,-0.1 -0.827 16.7-161.4-155.0 114.4 62.4 -2.1 -7.8 22 25 A L > - 0 0 48 -2,-0.3 3,-2.6 1,-0.1 6,-0.2 -0.591 43.4 -72.9 -94.9 156.9 61.0 -5.6 -8.0 23 26 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.215 124.0 34.7 -49.9 133.3 62.0 -8.2 -10.6 24 27 A G T 3 S+ 0 0 84 1,-0.4 -2,-0.0 4,-0.1 -3,-0.0 0.017 92.4 112.4 105.1 -26.8 60.4 -7.2 -13.9 25 28 A E S X S- 0 0 51 -3,-2.6 3,-1.7 1,-0.1 -1,-0.4 -0.507 77.4-119.0 -77.9 150.6 60.8 -3.5 -13.3 26 29 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.786 113.0 48.7 -61.9 -29.2 63.3 -1.5 -15.4 27 30 A L T 3 S+ 0 0 46 -7,-0.1 2,-0.5 -5,-0.1 8,-0.2 0.300 83.5 114.3 -95.3 9.5 65.4 -0.5 -12.4 28 31 A Y < - 0 0 80 -3,-1.7 2,-0.5 -6,-0.2 -4,-0.1 -0.707 46.6-171.2 -77.3 124.8 65.6 -4.0 -11.1 29 32 A S > - 0 0 26 -2,-0.5 3,-1.4 -8,-0.2 5,-0.1 -0.980 25.0-149.1-119.6 128.8 69.2 -5.3 -11.2 30 33 A E T 3 S+ 0 0 169 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.798 106.6 41.7 -60.7 -28.7 70.1 -8.9 -10.5 31 34 A T T 3 S- 0 0 125 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.293 106.2-140.4-101.5 7.5 73.4 -7.6 -9.2 32 35 A G < + 0 0 7 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.1 -0.305 57.5 127.0 68.8-153.2 72.0 -4.6 -7.4 33 36 A G + 0 0 34 1,-0.1 4,-0.2 -4,-0.1 -1,-0.1 0.379 62.7 78.9 85.6 -3.3 73.8 -1.3 -7.4 34 37 A I S >> S+ 0 0 62 -7,-0.1 4,-1.7 2,-0.1 3,-0.6 0.845 84.9 52.1-102.1 -51.2 70.9 0.8 -8.6 35 38 A M H 3> S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.871 104.3 58.6 -58.7 -38.9 68.7 1.4 -5.5 36 39 A P H 3> S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.878 105.4 51.2 -57.7 -33.8 71.7 2.7 -3.5 37 40 A L H <> S+ 0 0 100 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.881 109.1 50.3 -67.6 -38.2 72.1 5.4 -6.1 38 41 A M H X S+ 0 0 43 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.912 111.5 47.9 -62.1 -44.0 68.4 6.3 -5.8 39 42 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.895 109.9 52.7 -64.9 -41.1 68.8 6.5 -2.0 40 43 A K H X S+ 0 0 85 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.918 108.5 50.8 -58.2 -45.2 72.0 8.7 -2.5 41 44 A A H X S+ 0 0 55 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.916 110.4 49.6 -57.1 -45.6 69.9 11.0 -4.7 42 45 A A H X>S+ 0 0 4 -4,-2.2 5,-2.7 2,-0.2 4,-0.7 0.925 111.6 48.4 -59.4 -46.8 67.2 11.2 -2.0 43 46 A Q H ><5S+ 0 0 75 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.921 110.5 50.2 -61.3 -45.6 69.8 12.0 0.7 44 47 A E H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.796 107.3 55.8 -64.5 -29.3 71.5 14.7 -1.5 45 48 A A H 3<5S- 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.658 127.5 -99.7 -73.2 -19.9 68.0 16.2 -2.0 46 49 A G T <<5 + 0 0 54 -3,-1.1 -31,-0.3 -4,-0.7 -3,-0.2 0.622 60.8 168.2 105.1 20.5 67.5 16.5 1.7 47 50 A A < - 0 0 12 -5,-2.7 -31,-0.2 -6,-0.1 -1,-0.2 -0.295 29.3-148.9 -62.0 152.2 65.3 13.4 2.4 48 51 A V S S- 0 0 23 -33,-2.3 2,-0.3 1,-0.2 -32,-0.2 0.494 70.9 -1.3-103.8 -7.5 64.9 12.5 6.0 49 52 A G E -a 16 0A 1 -34,-0.8 -32,-2.3 18,-0.2 2,-0.4 -0.976 60.8-127.2-168.5 170.9 64.6 8.7 5.6 50 53 A I E -ac 17 69A 0 18,-2.3 20,-2.9 -2,-0.3 2,-0.5 -0.988 7.1-154.5-129.2 137.8 64.5 5.8 3.1 51 54 A R E +ac 18 70A 2 -34,-2.0 -32,-3.0 -2,-0.4 2,-0.3 -0.964 28.9 171.8-105.8 133.1 62.0 3.0 2.7 52 55 A A E - c 0 71A 0 18,-2.5 20,-1.8 -2,-0.5 2,-0.4 -0.980 25.1-138.5-144.3 153.5 63.5 -0.1 1.1 53 56 A N E + c 0 72A 18 -34,-0.4 4,-0.4 -2,-0.3 20,-0.2 -0.925 60.3 20.2-116.7 139.8 62.7 -3.7 0.3 54 57 A S S > S- 0 0 29 18,-2.3 4,-2.4 -2,-0.4 5,-0.2 0.396 76.0 -99.0 85.6 145.2 64.9 -6.9 0.6 55 58 A V H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 121.9 53.3 -57.9 -43.7 68.0 -7.7 2.6 56 59 A R H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.944 112.3 41.6 -58.6 -52.8 70.2 -7.1 -0.4 57 60 A D H > S+ 0 0 3 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.893 113.8 52.5 -64.9 -42.7 68.8 -3.6 -1.2 58 61 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.942 110.6 47.4 -60.3 -46.7 68.7 -2.5 2.5 59 62 A K H X S+ 0 0 88 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.898 112.1 49.7 -61.6 -42.5 72.4 -3.6 3.0 60 63 A E H < S+ 0 0 54 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.883 112.9 47.5 -63.9 -38.6 73.5 -1.8 -0.2 61 64 A I H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-1.5 0.914 106.9 56.2 -68.1 -43.3 71.6 1.4 1.0 62 65 A Q H 3< S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 100.4 61.6 -56.5 -31.5 73.1 1.2 4.5 63 66 A A T 3< S+ 0 0 86 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.713 114.3 31.4 -68.4 -22.6 76.6 1.2 2.8 64 67 A I T <4 S+ 0 0 70 -3,-1.6 2,-0.3 -4,-0.4 -2,-0.2 0.517 119.9 39.5-117.5 -7.8 75.9 4.7 1.3 65 68 A T < - 0 0 7 -4,-1.5 -1,-0.2 2,-0.1 -25,-0.1 -0.999 46.0-158.7-144.3 148.2 73.6 6.5 3.8 66 69 A D + 0 0 167 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.264 58.3 126.0-100.4 6.8 73.1 6.9 7.5 67 70 A L S S- 0 0 27 1,-0.1 -18,-0.2 -18,-0.1 -2,-0.1 -0.346 74.5 -95.3 -59.9 144.7 69.5 8.0 7.0 68 71 A P - 0 0 27 0, 0.0 -18,-2.3 0, 0.0 2,-0.4 -0.402 43.1-141.3 -65.6 142.7 67.0 5.9 9.0 69 72 A I E -c 50 0A 7 -20,-0.2 32,-2.2 -3,-0.1 2,-0.6 -0.898 14.6-155.6-112.5 132.7 65.5 3.1 7.0 70 73 A I E -cd 51 101A 6 -20,-2.9 -18,-2.5 -2,-0.4 2,-0.3 -0.954 33.2-161.6 -95.3 116.2 62.0 1.7 7.0 71 74 A G E +cd 52 102A 0 30,-2.9 32,-2.3 -2,-0.6 2,-0.3 -0.814 19.2 168.5-112.0 144.3 62.6 -1.9 5.9 72 75 A I E -c 53 0A 0 -20,-1.8 -18,-2.3 -2,-0.3 2,-0.4 -0.926 24.9-144.1-138.1 162.2 60.4 -4.6 4.4 73 76 A I - 0 0 18 -2,-0.3 12,-2.4 30,-0.3 2,-0.6 -0.942 17.1-151.4-129.6 113.4 60.7 -8.0 2.7 74 77 A K B +I 84 0B 55 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.747 34.2 146.8 -84.9 116.8 58.1 -8.6 -0.0 75 78 A K - 0 0 99 8,-2.6 11,-0.3 -2,-0.6 2,-0.2 -0.939 43.3-121.8-155.1 129.6 57.4 -12.3 -0.3 76 79 A D - 0 0 114 -2,-0.3 7,-0.1 1,-0.1 5,-0.1 -0.473 18.5-174.1 -72.9 139.1 54.3 -14.2 -1.2 77 80 A Y > - 0 0 34 5,-0.7 3,-0.7 3,-0.4 35,-0.1 -0.691 38.1-126.2-129.8 78.0 52.8 -16.7 1.2 78 81 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 5,-0.0 -0.264 80.0 27.0 -66.7 155.6 49.9 -18.3 -0.8 79 82 A P T 3 S+ 0 0 103 0, 0.0 33,-0.0 0, 0.0 -3,-0.0 -0.999 112.3 73.6 -81.3 -6.5 47.0 -18.8 -0.7 80 83 A Q S < S- 0 0 57 -3,-0.7 -3,-0.4 1,-0.1 31,-0.1 -0.201 78.0-129.4 -69.6 160.6 46.7 -15.8 1.6 81 84 A E + 0 0 127 29,-0.5 30,-0.1 -3,-0.1 -1,-0.1 0.857 69.5 98.4 -83.4 -42.4 47.0 -12.2 0.3 82 85 A P + 0 0 5 0, 0.0 -5,-0.7 0, 0.0 30,-0.1 -0.172 29.8 158.1 -56.4 142.9 49.6 -10.4 2.5 83 86 A F + 0 0 68 -7,-0.1 -8,-2.6 1,-0.1 2,-0.9 0.441 43.2 97.4-139.7 -10.3 53.2 -10.1 1.1 84 87 A I B S-I 74 0B 7 1,-0.3 21,-2.8 -10,-0.2 -10,-0.2 -0.766 119.5 -33.1 -86.2 105.1 54.8 -7.1 2.8 85 88 A T S S+ 0 0 0 -12,-2.4 -1,-0.3 -2,-0.9 -11,-0.1 0.943 86.5 175.7 48.3 60.8 56.8 -8.7 5.7 86 89 A A + 0 0 9 -13,-0.4 27,-0.3 -3,-0.4 2,-0.3 0.764 49.7 24.5 -74.2 -31.0 54.1 -11.4 6.0 87 90 A T S >> S- 0 0 13 -4,-0.1 4,-1.6 25,-0.1 3,-0.9 -0.813 85.5 -97.3-132.4 170.6 55.6 -13.7 8.7 88 91 A M H 3> S+ 0 0 33 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.785 116.3 69.5 -59.2 -27.7 58.0 -13.7 11.6 89 92 A T H 3> S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 103.0 42.0 -56.9 -45.1 60.7 -15.1 9.2 90 93 A E H <> S+ 0 0 2 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.910 113.4 53.0 -68.8 -42.6 60.8 -11.7 7.4 91 94 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.928 108.1 51.6 -55.6 -47.6 60.7 -9.8 10.7 92 95 A D H X S+ 0 0 5 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.905 109.9 47.9 -57.1 -47.2 63.7 -11.8 12.0 93 96 A Q H < S+ 0 0 58 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.876 113.6 48.0 -62.7 -39.3 65.8 -11.1 8.9 94 97 A L H ><>S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 5,-0.6 0.869 106.7 56.5 -70.5 -37.1 64.9 -7.4 9.1 95 98 A A H ><5S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.860 102.1 57.5 -59.0 -35.7 65.7 -7.3 12.9 96 99 A A T 3<5S+ 0 0 32 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.630 95.1 66.4 -71.6 -13.3 69.2 -8.6 12.0 97 100 A L T < 5S- 0 0 13 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.559 99.9-132.1 -85.8 -9.8 69.8 -5.6 9.7 98 101 A N T < 5 + 0 0 50 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.1 0.953 47.7 161.1 56.7 54.6 69.7 -3.1 12.7 99 102 A I < - 0 0 5 -5,-0.6 33,-0.2 1,-0.1 -1,-0.2 -0.736 49.3-118.5-108.0 158.7 67.3 -0.7 11.0 100 103 A A S S+ 0 0 9 -2,-0.3 32,-0.7 1,-0.2 2,-0.4 0.870 91.7 18.1 -64.0 -43.0 65.2 2.0 12.5 101 104 A V E -de 70 132A 2 -32,-2.2 -30,-2.9 30,-0.1 2,-0.6 -0.996 56.5-155.0-138.6 133.4 61.8 0.7 11.5 102 105 A I E -de 71 133A 0 30,-2.0 32,-2.7 -2,-0.4 2,-0.3 -0.951 20.2-160.4-100.3 122.3 60.3 -2.6 10.4 103 106 A A E + e 0 134A 0 -32,-2.3 2,-0.3 -2,-0.6 -30,-0.3 -0.809 15.0 172.3-100.7 147.1 57.1 -2.2 8.3 104 107 A M E - e 0 135A 0 30,-2.0 32,-2.8 -2,-0.3 2,-0.3 -0.995 41.8 -90.1-153.2 149.8 54.7 -5.0 7.8 105 108 A D E + e 0 136A 3 -21,-2.8 32,-0.2 -2,-0.3 30,-0.1 -0.477 40.7 172.7 -60.3 117.4 51.2 -5.7 6.4 106 109 A C + 0 0 2 30,-2.7 40,-0.1 -2,-0.3 -1,-0.1 -0.105 27.2 136.6-120.8 33.4 48.8 -5.2 9.3 107 110 A T - 0 0 2 29,-0.2 10,-0.1 30,-0.1 30,-0.1 -0.248 68.4-110.7 -71.9 168.0 45.5 -5.5 7.3 108 111 A K S S+ 0 0 138 8,-0.1 3,-0.1 9,-0.1 -1,-0.1 0.449 78.4 123.3 -77.7 -1.2 42.5 -7.5 8.6 109 112 A R S S- 0 0 40 1,-0.1 8,-0.1 7,-0.1 -29,-0.0 -0.215 76.6 -82.7 -69.2 150.8 43.1 -10.2 5.9 110 113 A D - 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0 0 82 -28,-0.5 -1,-0.2 1,-0.2 -4,-0.1 -0.409 46.8-170.3 -60.9 122.2 85.5 -34.5 31.9 398 170 B Q + 0 0 111 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.655 45.6 114.3 -90.5 -17.1 84.4 -34.0 35.5 399 171 B E S S- 0 0 137 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 -0.109 72.5-100.0 -61.1 150.3 87.8 -33.1 37.0 400 172 B A S S+ 0 0 88 3,-0.0 -1,-0.1 2,-0.0 -2,-0.0 -0.216 82.5 35.3 -65.3 158.4 88.5 -29.6 38.4 401 173 B G S S- 0 0 16 2,-0.1 22,-0.2 3,-0.0 21,-0.1 -0.030 102.9 -35.3 84.3 171.4 90.2 -26.9 36.3 402 174 B P - 0 0 11 0, 0.0 2,-2.0 0, 0.0 3,-0.2 -0.291 58.8-113.3 -69.0 148.6 90.2 -26.1 32.6 403 175 B D > + 0 0 15 18,-0.3 4,-2.1 1,-0.2 3,-0.2 -0.532 47.5 164.9 -82.0 75.7 89.9 -29.0 30.1 404 176 B V H > S+ 0 0 23 -2,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.854 71.2 56.7 -64.6 -37.0 93.4 -28.5 28.7 405 177 B A H > S+ 0 0 73 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 109.5 46.3 -60.1 -42.4 93.4 -31.9 26.9 406 178 B L H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 111.3 51.4 -66.0 -44.3 90.2 -31.0 25.1 407 179 B I H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.936 112.7 45.6 -57.9 -48.4 91.5 -27.6 24.1 408 180 B E H X S+ 0 0 75 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.917 111.1 52.2 -63.5 -45.0 94.8 -29.1 22.7 409 181 B A H X S+ 0 0 33 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.882 111.3 47.5 -59.6 -40.3 92.9 -31.9 20.8 410 182 B L H <>S+ 0 0 0 -4,-2.2 5,-1.6 2,-0.2 3,-0.4 0.886 110.5 51.3 -69.3 -39.7 90.6 -29.3 19.1 411 183 B C H ><5S+ 0 0 24 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.904 107.3 53.6 -61.3 -42.6 93.6 -27.0 18.2 412 184 B K H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.705 99.4 63.4 -67.4 -20.4 95.3 -30.0 16.6 413 185 B A T 3<5S- 0 0 43 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.372 120.4-109.3 -81.7 2.1 92.2 -30.6 14.5 414 186 B G T < 5S+ 0 0 64 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.657 70.4 146.4 78.6 19.3 92.8 -27.2 12.9 415 187 B I < - 0 0 13 -5,-1.6 2,-1.1 1,-0.1 -1,-0.3 -0.609 59.5-115.7 -90.1 144.7 89.8 -25.6 14.6 416 188 B A - 0 0 12 -33,-0.3 -31,-2.1 -2,-0.2 2,-0.4 -0.728 46.1-162.1 -75.8 101.6 89.5 -22.0 15.7 417 189 B V E -p 385 0C 1 -2,-1.1 21,-2.1 19,-0.3 22,-1.6 -0.773 22.6-163.7-100.2 128.3 89.3 -22.7 19.4 418 190 B I E -pq 386 439C 2 -33,-2.5 -31,-1.2 -2,-0.4 2,-0.3 -0.937 23.1-143.1-105.2 104.4 88.0 -20.3 22.1 419 191 B A E + q 0 440C 0 20,-2.4 22,-3.1 -2,-0.7 2,-0.3 -0.538 34.3 159.9 -69.3 126.8 89.2 -21.8 25.4 420 192 B E E + q 0 441C 16 -2,-0.3 -30,-0.3 20,-0.2 -17,-0.2 -0.973 19.3 66.1-154.3 136.0 86.6 -21.3 28.0 421 193 B G S S+ 0 0 16 20,-0.7 -18,-0.3 -2,-0.3 3,-0.1 0.319 94.5 3.4 120.7 116.1 85.6 -22.8 31.4 422 194 B K + 0 0 32 1,-0.2 2,-1.0 -20,-0.1 20,-0.1 0.681 69.6 155.1 64.8 23.3 87.2 -23.0 34.8 423 195 B I + 0 0 8 18,-0.3 22,-0.3 -22,-0.2 20,-0.3 -0.734 7.1 158.1 -82.4 103.2 90.2 -20.8 33.9 424 196 B H + 0 0 88 -2,-1.0 -1,-0.2 -3,-0.1 -2,-0.1 0.597 48.3 47.7-106.7 -16.9 91.1 -19.5 37.4 425 197 B S S > S- 0 0 34 1,-0.1 4,-2.1 0, 0.0 3,-0.4 -0.963 71.3-126.4-132.0 146.7 94.8 -18.4 37.3 426 198 B P H > S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.844 114.0 59.1 -51.4 -35.1 97.1 -16.4 35.0 427 199 B E H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.889 105.2 47.1 -64.0 -41.7 99.3 -19.5 34.9 428 200 B E H > S+ 0 0 56 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.913 111.6 51.8 -62.6 -44.1 96.5 -21.6 33.5 429 201 B A H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.879 109.4 49.9 -60.6 -40.8 95.8 -18.9 30.9 430 202 B K H X S+ 0 0 130 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.921 109.9 49.8 -63.9 -47.0 99.4 -18.8 29.8 431 203 B K H < S+ 0 0 124 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.904 114.6 45.5 -57.4 -44.1 99.6 -22.6 29.4 432 204 B I H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 5,-0.4 0.902 108.6 55.4 -67.2 -43.2 96.4 -22.5 27.3 433 205 B N H >< S+ 0 0 59 -4,-2.7 3,-1.4 1,-0.3 4,-0.4 0.846 100.6 60.9 -57.6 -35.6 97.6 -19.5 25.2 434 206 B D T 3< S+ 0 0 106 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.591 90.4 70.6 -69.3 -12.0 100.7 -21.5 24.3 435 207 B L T < S- 0 0 44 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.608 114.5-108.5 -80.5 -13.2 98.5 -24.2 22.7 436 208 B G < + 0 0 59 -3,-1.4 -19,-0.3 -4,-0.3 2,-0.2 0.905 54.7 172.0 84.2 48.2 97.6 -21.8 19.8 437 209 B V - 0 0 11 -5,-0.4 -193,-0.4 -4,-0.4 -19,-0.2 -0.488 41.7-128.8 -83.0 157.1 94.0 -21.0 20.6 438 210 B A S S- 0 0 10 -21,-2.1 2,-0.3 1,-0.2 -20,-0.2 0.779 85.7 -22.0 -72.2 -28.9 92.0 -18.4 18.7 439 211 B G E - q 0 418C 2 -22,-1.6 -20,-2.4 -196,-0.1 2,-0.4 -0.983 54.7-129.6-170.2 171.8 91.0 -16.9 22.1 440 212 B I E - q 0 419C 3 -195,-0.4 -193,-3.3 -2,-0.3 2,-0.5 -0.995 14.4-156.6-137.9 126.2 90.6 -17.4 25.8 441 213 B V E -kq 247 420C 3 -22,-3.1 -20,-0.7 -2,-0.4 2,-0.5 -0.928 8.1-173.9-105.6 123.5 87.5 -16.5 27.9 442 214 B V E +k 248 0C 13 -195,-2.7 -193,-2.4 -2,-0.5 -18,-0.1 -0.973 16.2 157.7-112.9 129.5 88.0 -15.8 31.6 443 215 B G >> + 0 0 19 -2,-0.5 4,-2.4 -20,-0.3 3,-2.4 0.587 61.3 21.2-113.4 -97.7 84.7 -15.3 33.6 444 216 B G H 3> S+ 0 0 16 1,-0.3 4,-2.0 2,-0.2 8,-0.3 0.763 112.1 68.8 -53.8 -33.6 84.1 -15.8 37.3 445 217 B A H 34 S+ 0 0 25 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.660 118.9 22.0 -62.6 -15.6 87.8 -15.4 38.2 446 218 B I H <4 S+ 0 0 80 -3,-2.4 -2,-0.2 -197,-0.2 -1,-0.2 0.724 135.4 30.4-112.6 -43.1 87.5 -11.8 37.1 447 219 B T H < S+ 0 0 3 -4,-2.4 -3,-0.2 -198,-0.3 -2,-0.2 0.328 102.3 71.7-113.5 3.3 83.8 -10.9 37.4 448 220 B R >X + 0 0 37 -4,-2.0 4,-2.2 -5,-0.3 3,-0.6 -0.718 50.1 177.9-119.7 84.2 82.4 -13.0 40.2 449 221 B P H 3> S+ 0 0 62 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.818 80.9 60.4 -53.6 -33.3 83.7 -11.7 43.5 450 222 B K H 3> S+ 0 0 119 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.937 108.6 41.9 -59.0 -48.5 81.6 -14.3 45.4 451 223 B E H <> S+ 0 0 80 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.895 115.2 49.9 -68.2 -40.5 83.4 -17.2 43.6 452 224 B I H X S+ 0 0 39 -4,-2.2 4,-1.7 -8,-0.3 -2,-0.2 0.948 112.6 47.7 -60.7 -49.1 86.9 -15.6 43.9 453 225 B A H X S+ 0 0 43 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.903 106.9 57.0 -60.3 -42.9 86.3 -15.0 47.7 454 226 B E H X S+ 0 0 102 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.890 105.7 51.4 -54.2 -42.1 85.1 -18.6 48.2 455 227 B R H X S+ 0 0 84 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.872 111.1 46.9 -65.6 -39.4 88.4 -19.8 46.8 456 228 B F H X S+ 0 0 148 -4,-1.7 4,-0.5 2,-0.2 3,-0.2 0.946 115.1 46.6 -61.6 -48.9 90.4 -17.6 49.2 457 229 B I H >< S+ 0 0 98 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.858 108.8 55.7 -64.5 -38.1 88.2 -18.8 52.1 458 230 B E H >< S+ 0 0 119 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.849 98.7 61.3 -64.2 -36.6 88.5 -22.4 51.1 459 231 B A H 3< S+ 0 0 80 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.702 98.7 58.6 -62.9 -21.0 92.3 -22.3 51.2 460 232 B L T << 0 0 151 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.474 360.0 360.0 -89.4 -3.5 92.1 -21.5 54.9 461 233 B K < 0 0 175 -3,-1.6 -3,-0.0 -4,-0.2 0, 0.0 -0.064 360.0 360.0 -82.1 360.0 90.2 -24.6 55.8