==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JAN-11 2Y6R . COMPND 2 MOLECULE: TETX2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR G.VOLKERS,G.J.PALM,M.S.WEISS,G.D.WRIGHT,W.HINRICHS . 1460 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 960 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 14.6 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 . 16 1.1 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 . 4 0.3 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 . 100 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 389 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 8 0 0 9 3 4 0 11 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 4 4 11 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 0 PARALLEL BRIDGES PER LADDER . 4 4 8 4 4 3 5 0 4 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 8 0 4 0 4 0 0 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 15 A S 0 0 130 0, 0.0 26,-0.1 0, 0.0 321,-0.0 0.000 360.0 360.0 360.0 124.7 -37.5 3.9 6.6 2 16 A D + 0 0 165 24,-0.0 2,-0.1 2,-0.0 24,-0.0 -0.109 360.0 84.2-121.0 30.6 -38.2 1.8 3.5 3 17 A K S S- 0 0 107 145,-0.0 24,-0.5 144,-0.0 2,-0.3 -0.202 71.6-115.1-119.5-163.9 -34.8 2.7 2.2 4 18 A N - 0 0 36 22,-0.1 144,-1.6 -2,-0.1 145,-1.0 -0.989 11.8-142.1-149.3 143.9 -31.1 1.7 2.4 5 19 A V E -ab 28 149A 8 22,-2.8 24,-0.8 -2,-0.3 2,-0.4 -0.710 4.8-159.4-102.8 151.7 -27.8 3.1 3.7 6 20 A A E -ab 29 150A 1 143,-2.5 145,-2.4 -2,-0.3 2,-0.6 -0.930 5.8-165.2-132.2 108.9 -24.2 2.8 2.2 7 21 A I E -ab 30 151A 0 22,-3.2 24,-2.4 -2,-0.4 2,-0.8 -0.835 13.8-144.9 -92.5 121.2 -21.3 3.4 4.4 8 22 A I E +ab 31 152A 5 143,-2.1 145,-1.6 -2,-0.6 24,-0.2 -0.772 67.2 32.8 -86.1 110.1 -18.1 3.9 2.5 9 23 A G - 0 0 7 22,-2.3 2,-0.3 -2,-0.8 23,-0.2 0.313 63.4-133.1 115.3 120.5 -15.2 2.4 4.5 10 24 A G + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 144,-0.1 -0.243 58.7 134.7 -92.4 42.5 -14.8 -0.6 6.9 11 25 A G S > S- 0 0 23 142,-0.6 4,-3.1 -2,-0.3 5,-0.4 -0.250 76.9 -94.1 -77.1 175.6 -12.9 1.3 9.5 12 26 A P H > S+ 0 0 30 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.939 132.2 46.9 -56.0 -43.5 -13.6 1.0 13.3 13 27 A V H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.1 5,-0.1 0.943 114.9 45.6 -63.0 -44.5 -15.8 4.1 12.8 14 28 A G H > S+ 0 0 0 139,-0.4 4,-2.5 2,-0.2 -4,-0.2 0.965 112.9 47.5 -62.5 -54.4 -17.5 2.7 9.7 15 29 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.863 111.4 52.5 -59.2 -35.3 -18.2 -0.9 10.9 16 30 A T H X S+ 0 0 2 -4,-1.6 4,-2.5 -5,-0.4 5,-0.3 0.973 106.4 51.4 -62.5 -53.6 -19.6 0.6 14.2 17 31 A M H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.924 109.9 53.7 -44.6 -49.2 -22.0 2.8 12.3 18 32 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.892 108.7 46.4 -55.3 -47.4 -23.0 -0.3 10.5 19 33 A K H X S+ 0 0 26 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.951 110.4 51.3 -60.3 -52.1 -23.8 -2.3 13.6 20 34 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.786 116.8 41.5 -63.0 -28.9 -25.8 0.4 15.3 21 35 A L H ><>S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.3 5,-0.6 0.924 113.6 51.2 -77.4 -49.0 -27.9 0.8 12.2 22 36 A Q H ><5S+ 0 0 27 -4,-3.1 3,-2.3 1,-0.3 -2,-0.2 0.886 104.1 56.9 -61.8 -43.2 -28.3 -3.0 11.5 23 37 A Q T 3<5S+ 0 0 79 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.548 105.4 53.7 -65.7 -8.6 -29.4 -3.8 15.0 24 38 A N T < 5S- 0 0 80 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.332 121.8-109.3-101.0 3.0 -32.2 -1.3 14.5 25 39 A G T < 5 + 0 0 60 -3,-2.3 -3,-0.2 1,-0.3 3,-0.1 -0.165 68.8 145.3 100.2 -39.0 -33.3 -3.0 11.3 26 40 A I < - 0 0 23 -5,-0.6 2,-0.4 1,-0.1 -1,-0.3 -0.041 56.9-116.9 -37.3 118.9 -32.1 -0.3 8.9 27 41 A D + 0 0 98 -24,-0.5 -22,-2.8 -3,-0.1 2,-0.3 -0.510 49.5 172.0 -64.9 118.8 -30.9 -2.0 5.7 28 42 A V E -a 5 0A 10 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.879 23.6-163.9-137.4 157.1 -27.1 -1.1 5.5 29 43 A S E -a 6 0A 22 -24,-0.8 -22,-3.2 -2,-0.3 2,-0.6 -0.998 10.2-149.6-143.0 146.1 -23.9 -1.9 3.5 30 44 A V E -ac 7 119A 0 88,-2.7 90,-2.9 -2,-0.3 2,-0.8 -0.941 8.5-161.2-121.2 114.6 -20.3 -1.3 4.0 31 45 A Y E -ac 8 120A 20 -24,-2.4 -22,-2.3 -2,-0.6 2,-0.5 -0.824 16.9-171.1 -97.0 111.2 -18.1 -0.8 1.0 32 46 A E - 0 0 13 88,-2.2 91,-3.2 -2,-0.8 90,-0.3 -0.890 26.6-150.6-113.8 135.1 -14.5 -1.5 1.9 33 47 A R + 0 0 163 -2,-0.5 -1,-0.1 89,-0.2 91,-0.1 0.919 67.7 102.9 -57.3 -50.8 -11.3 -0.8 -0.1 34 48 A D S S- 0 0 36 88,-0.1 88,-2.2 1,-0.1 89,-0.2 0.018 77.5-124.8 -51.1 143.6 -9.3 -3.7 1.5 35 49 A N S S- 0 0 114 86,-0.2 2,-0.3 87,-0.1 -1,-0.1 0.649 81.4 -15.6 -70.7 -23.2 -8.9 -6.9 -0.5 36 50 A D S > S- 0 0 59 85,-0.0 3,-1.1 1,-0.0 86,-0.1 -0.931 75.4 -91.3-163.3 177.4 -10.4 -9.3 2.0 37 51 A R T 3 S+ 0 0 80 -2,-0.3 74,-0.1 1,-0.2 -2,-0.1 0.780 119.3 59.6 -73.2 -23.6 -11.2 -9.4 5.8 38 52 A E T 3 S+ 0 0 60 2,-0.1 -1,-0.2 -4,-0.0 2,-0.2 0.204 73.4 131.8 -91.7 13.7 -7.8 -10.7 6.8 39 53 A A < - 0 0 25 -3,-1.1 2,-0.4 1,-0.1 -5,-0.0 -0.497 64.5-113.9 -59.0 132.1 -6.0 -7.7 5.3 40 54 A R - 0 0 162 -2,-0.2 2,-0.8 1,-0.0 -1,-0.1 -0.612 22.2-141.2 -80.2 126.8 -3.5 -6.3 7.9 41 55 A I - 0 0 44 -2,-0.4 63,-0.3 2,-0.0 62,-0.2 -0.770 13.7-143.2 -93.1 111.7 -4.2 -2.9 9.3 42 56 A F + 0 0 91 -2,-0.8 2,-0.2 61,-0.1 137,-0.0 -0.382 54.6 65.9 -69.1 147.4 -1.1 -0.8 9.8 43 57 A G S S- 0 0 13 -2,-0.1 60,-0.1 3,-0.0 3,-0.1 -0.735 78.9 -63.6 131.2 178.5 -1.0 1.5 12.9 44 58 A G - 0 0 18 -2,-0.2 59,-0.7 1,-0.2 2,-0.3 0.283 62.4 -76.2 -77.9-154.7 -0.8 1.4 16.7 45 59 A T E -E 102 0B 22 57,-0.2 2,-0.3 175,-0.1 57,-0.2 -0.674 43.4-132.3 -98.4 167.0 -3.3 0.1 19.1 46 60 A L E -E 101 0B 16 55,-2.5 55,-3.2 -2,-0.3 2,-0.4 -0.878 9.8-155.0-117.8 154.8 -6.5 2.0 20.0 47 61 A D E -E 100 0B 28 -2,-0.3 2,-0.7 53,-0.2 262,-0.2 -1.000 10.4-144.3-130.7 127.6 -7.9 2.7 23.4 48 62 A L - 0 0 0 51,-0.6 49,-0.5 -2,-0.4 50,-0.2 -0.866 19.4-134.8 -95.6 111.7 -11.6 3.4 23.8 49 63 A H > > - 0 0 41 -2,-0.7 5,-2.7 256,-0.2 3,-0.9 -0.383 14.2-124.9 -65.6 142.7 -12.3 6.0 26.5 50 64 A K T 3 5S+ 0 0 107 1,-0.2 5,-0.1 3,-0.2 -1,-0.1 0.788 107.4 55.1 -62.7 -31.2 -15.1 5.2 29.0 51 65 A G T 3 5S- 0 0 69 3,-0.1 -1,-0.2 4,-0.1 -2,-0.0 0.845 130.4 -7.6 -64.5 -33.3 -16.9 8.5 28.2 52 66 A S T <>5S+ 0 0 23 -3,-0.9 4,-1.6 3,-0.1 3,-0.5 0.677 126.6 45.8-134.3 -80.6 -17.2 7.9 24.5 53 67 A G H >5S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.902 117.2 51.0 -49.4 -46.7 -15.6 5.2 22.5 54 68 A Q H > S+ 0 0 79 -3,-0.5 4,-2.6 -6,-0.4 -1,-0.2 0.904 102.3 51.1 -56.7 -43.7 -20.3 4.0 25.0 56 70 A A H X S+ 0 0 0 -4,-1.6 4,-0.9 -3,-0.3 -1,-0.2 0.927 109.6 49.8 -61.2 -45.2 -20.7 3.0 21.4 57 71 A M H >X>S+ 0 0 1 -4,-1.4 5,-2.5 1,-0.2 3,-1.2 0.933 108.6 53.9 -57.6 -47.9 -19.4 -0.5 22.1 58 72 A K H ><5S+ 0 0 98 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.948 107.1 51.0 -43.7 -56.1 -21.9 -0.7 25.0 59 73 A K H 3<5S+ 0 0 89 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.626 112.1 47.2 -69.9 -12.5 -24.7 0.2 22.7 60 74 A A H <<5S- 0 0 10 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.368 112.9-117.6-104.2 1.8 -23.6 -2.6 20.3 61 75 A G T <<5S+ 0 0 31 -3,-2.1 4,-0.3 -4,-0.7 -3,-0.2 0.659 90.0 106.7 76.1 17.6 -23.3 -5.2 23.1 62 76 A L >< + 0 0 17 -5,-2.5 4,-2.6 -6,-0.2 -4,-0.2 0.443 39.1 98.0-110.1 -7.6 -19.6 -5.4 22.3 63 77 A L H > S+ 0 0 33 -6,-0.8 4,-1.9 2,-0.2 5,-0.2 0.929 88.3 47.3 -49.8 -49.4 -18.1 -3.6 25.3 64 78 A Q H >> S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.974 110.7 49.7 -58.0 -57.0 -17.5 -6.9 27.1 65 79 A T H 3> S+ 0 0 20 -4,-0.3 4,-0.9 1,-0.3 -1,-0.2 0.830 107.2 59.3 -49.3 -35.7 -15.9 -8.5 24.0 66 80 A Y H >X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 3,-0.6 0.919 106.6 44.1 -63.3 -46.1 -13.7 -5.3 23.8 67 81 A Y H << S+ 0 0 46 -4,-1.9 -2,-0.2 -3,-0.7 -1,-0.2 0.954 104.4 65.2 -62.4 -46.9 -12.2 -5.8 27.2 68 82 A D H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.734 117.5 26.2 -46.0 -31.9 -11.7 -9.5 26.5 69 83 A L H << S+ 0 0 27 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.718 104.1 92.8-105.7 -31.1 -9.2 -8.6 23.8 70 84 A A < - 0 0 10 -4,-2.5 31,-0.2 -5,-0.2 30,-0.1 -0.245 64.7-144.1 -61.2 149.7 -8.0 -5.2 25.0 71 85 A L B -F 100 0B 79 29,-2.0 29,-2.0 27,-0.1 -3,-0.1 -0.950 9.1-133.7-125.2 113.0 -4.9 -5.0 27.2 72 86 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 17,-0.1 -0.371 32.9-163.4 -52.8 137.2 -4.6 -2.5 30.0 73 87 A M - 0 0 4 15,-0.1 125,-0.1 125,-0.0 124,-0.1 -0.964 16.5-138.7-142.2 125.8 -1.1 -0.9 29.8 74 88 A G - 0 0 2 -2,-0.4 125,-2.4 123,-0.4 2,-0.4 -0.166 22.7-130.6 -67.6 167.4 1.2 1.1 32.0 75 89 A V E -g 199 0C 32 12,-2.0 2,-0.4 123,-0.2 125,-0.2 -0.980 15.1-166.5-132.7 117.1 3.2 4.1 30.7 76 90 A N E -g 200 0C 5 123,-3.0 125,-1.7 -2,-0.4 2,-0.4 -0.849 10.3-152.3 -98.6 139.5 6.9 4.7 31.3 77 91 A I E -gH 201 85C 14 8,-3.5 7,-2.1 -2,-0.4 8,-1.6 -0.918 20.9-161.5-112.4 142.4 8.4 8.1 30.5 78 92 A A E -gH 202 83C 3 123,-2.2 125,-0.7 -2,-0.4 5,-0.2 -0.920 25.1-143.0-135.0 147.3 12.0 8.4 29.5 79 93 A D - 0 0 11 3,-2.9 125,-0.1 -2,-0.3 5,-0.1 -0.412 47.6-104.0 -77.8 170.1 15.1 10.5 29.0 80 94 A A S S+ 0 0 15 123,-0.2 175,-0.7 -2,-0.1 178,-0.2 0.913 124.7 46.3 -60.9 -41.8 17.3 9.7 26.0 81 95 A A S S- 0 0 59 1,-0.1 2,-0.2 173,-0.1 176,-0.2 0.999 125.7 -58.8 -60.3 -69.9 19.7 8.1 28.6 82 96 A G S S- 0 0 20 1,-0.2 -3,-2.9 633,-0.1 -1,-0.1 -0.710 79.8 -9.1-160.9-155.0 17.1 6.0 30.7 83 97 A N E +H 78 0C 71 -5,-0.2 -5,-0.2 -2,-0.2 -1,-0.2 -0.029 37.4 160.5 -71.0 153.5 14.1 6.0 32.9 84 98 A I E + 0 0 7 -7,-2.1 2,-0.4 1,-0.3 -6,-0.2 0.599 67.2 9.2-130.4 -58.2 12.2 8.9 34.4 85 99 A L E -H 77 0C 48 -8,-1.6 -8,-3.5 2,-0.0 2,-0.3 -0.992 56.2-166.0-133.3 128.4 8.6 8.0 35.5 86 100 A S - 0 0 67 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.769 7.0-177.8-100.4 153.8 6.9 4.6 35.6 87 101 A T - 0 0 65 -2,-0.3 -12,-2.0 -12,-0.1 2,-0.1 -0.845 5.4-166.5-151.8 111.8 3.2 4.3 36.0 88 102 A K - 0 0 83 -2,-0.3 2,-0.7 -14,-0.2 -15,-0.1 -0.376 34.5 -96.1 -86.5 175.9 1.5 1.0 36.3 89 103 A N - 0 0 52 -2,-0.1 2,-0.2 -17,-0.1 -15,-0.1 -0.868 34.0-140.6 -95.2 115.7 -2.3 0.4 35.9 90 104 A V >> - 0 0 84 -2,-0.7 3,-2.6 1,-0.1 4,-0.7 -0.585 18.7-123.8 -76.0 136.4 -4.0 0.3 39.3 91 105 A K T 34 S+ 0 0 41 1,-0.3 3,-0.4 -2,-0.2 4,-0.3 0.781 107.2 70.7 -58.4 -32.0 -6.7 -2.4 39.3 92 106 A P T 34 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.646 115.7 24.8 -45.8 -18.4 -9.4 0.2 40.3 93 107 A E T X4 S+ 0 0 58 -3,-2.6 3,-2.2 2,-0.1 5,-0.2 0.442 84.4 105.3-136.4 -3.5 -9.0 1.5 36.7 94 108 A N T 3< S+ 0 0 28 -4,-0.7 -3,-0.1 -3,-0.4 4,-0.1 0.628 82.3 56.9 -62.3 -15.2 -7.7 -1.2 34.4 95 109 A R T 3 S+ 0 0 100 -4,-0.3 2,-0.4 3,-0.1 -1,-0.3 0.341 99.1 78.5 -96.5 6.6 -11.1 -1.6 32.8 96 110 A F S < S- 0 0 94 -3,-2.2 2,-0.3 1,-0.1 -47,-0.1 -0.933 106.4 -33.6-124.6 143.0 -11.4 2.0 31.7 97 111 A D S S+ 0 0 32 -49,-0.5 -48,-0.2 -2,-0.4 -1,-0.1 0.439 121.6 71.0 45.8 6.3 -10.1 4.3 29.0 98 112 A N + 0 0 31 -2,-0.3 -1,-0.2 -5,-0.2 -27,-0.1 0.799 53.6 117.6-112.9 -45.3 -6.8 2.4 28.9 99 113 A P - 0 0 2 0, 0.0 -51,-0.6 0, 0.0 2,-0.5 -0.010 54.6-148.7 -58.3 103.5 -7.4 -1.0 27.4 100 114 A E E -EF 47 71B 13 -29,-2.0 -29,-2.0 -53,-0.1 2,-0.4 -0.554 16.5-168.3 -75.0 117.1 -5.2 -1.0 24.3 101 115 A I E -E 46 0B 1 -55,-3.2 -55,-2.5 -2,-0.5 2,-0.2 -0.863 24.8-110.5-112.0 142.9 -6.7 -3.1 21.5 102 116 A N E > -E 45 0B 22 -2,-0.4 4,-2.5 -57,-0.2 5,-0.2 -0.473 26.9-125.9 -70.5 136.6 -5.1 -4.3 18.2 103 117 A R H > S+ 0 0 72 -59,-0.7 4,-1.6 1,-0.3 5,-0.1 0.899 110.3 45.1 -56.1 -47.9 -6.6 -2.6 15.2 104 118 A N H > S+ 0 0 27 -63,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.882 108.0 57.5 -57.1 -49.1 -7.4 -5.9 13.5 105 119 A D H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.919 105.4 51.7 -46.0 -50.0 -8.8 -7.4 16.7 106 120 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.924 110.6 47.9 -56.7 -44.5 -11.3 -4.5 16.8 107 121 A R H X S+ 0 0 9 -4,-1.6 4,-3.8 2,-0.2 5,-0.2 0.860 108.9 53.6 -63.7 -38.4 -12.4 -5.2 13.2 108 122 A A H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.985 110.4 47.3 -60.2 -52.1 -12.7 -8.9 13.9 109 123 A I H X S+ 0 0 1 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.856 116.1 45.6 -56.0 -39.2 -15.1 -8.0 16.9 110 124 A L H X S+ 0 0 1 -4,-2.2 4,-1.1 -5,-0.2 3,-0.5 0.961 109.1 52.4 -73.5 -46.3 -17.0 -5.6 14.6 111 125 A L H < S+ 0 0 35 -4,-3.8 3,-0.4 1,-0.3 -2,-0.2 0.845 108.0 53.9 -58.4 -37.7 -17.3 -7.9 11.6 112 126 A N H < S+ 0 0 82 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.903 102.5 57.5 -55.2 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-80.0-164.0 153.7 38.3 18.1 40.4 594 240 B K E -X 542 0G 75 -20,-0.5 -52,-0.3 -2,-0.3 3,-0.1 -0.426 67.6 -93.3 -56.2 137.1 37.4 14.8 42.0 595 241 B T - 0 0 48 -54,-4.2 -1,-0.1 1,-0.1 2,-0.1 -0.425 45.2-110.6 -58.5 125.6 37.5 15.4 45.8 596 242 B P > - 0 0 31 0, 0.0 2,-2.0 0, 0.0 3,-0.7 -0.379 31.0-112.2 -59.2 134.7 41.0 14.3 47.0 597 243 B D T 3 S+ 0 0 104 1,-0.3 -2,-0.1 -2,-0.1 -3,-0.0 0.025 105.9 63.2 -76.1 38.0 40.8 11.2 49.1 598 244 B E T 3 0 0 120 -2,-2.0 4,-0.5 0, 0.0 -1,-0.3 -0.091 360.0 360.0-136.6 36.8 41.8 12.7 52.5 599 245 B W < 0 0 77 -3,-0.7 -2,-0.1 2,-0.1 -4,-0.0 0.308 360.0 360.0-120.7 360.0 38.9 15.1 52.9 600 ! 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 0.0 601 249 B T 0 0 66 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -93.1 39.0 19.4 54.4 602 250 B Q + 0 0 148 -4,-0.5 2,-0.4 2,-0.1 -3,-0.1 0.133 360.0 78.6 -75.4 29.6 42.8 19.6 54.8 603 251 B V S S- 0 0 13 -2,-0.9 2,-0.8 11,-0.0 8,-0.1 -0.993 81.1-134.8-126.0 128.8 42.9 22.9 52.8 604 252 B D - 0 0 81 -2,-0.4 7,-0.4 1,-0.1 6,-0.2 -0.726 12.8-167.2 -88.1 111.4 41.9 26.0 54.8 605 253 B F S S+ 0 0 45 -2,-0.8 31,-0.3 1,-0.2 -1,-0.1 0.465 89.4 59.2 -77.7 2.3 39.5 28.1 52.8 606 254 B Q S S+ 0 0 167 1,-0.2 2,-0.9 29,-0.1 -1,-0.2 0.835 96.3 62.5 -90.7 -46.0 40.2 30.9 55.3 607 255 B N > - 0 0 68 1,-0.2 4,-1.4 -3,-0.1 3,-0.4 -0.758 69.3-164.8 -82.5 104.3 43.9 31.0 54.7 608 256 B R H > S+ 0 0 75 -2,-0.9 4,-3.1 1,-0.2 5,-0.2 0.832 89.0 59.8 -59.0 -34.4 44.3 32.1 51.1 609 257 B N H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 102.3 52.6 -59.7 -43.9 47.9 31.0 51.2 610 258 B S H > S+ 0 0 36 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.855 113.3 43.5 -59.9 -38.3 46.8 27.5 52.0 611 259 B V H X S+ 0 0 0 -4,-1.4 4,-2.2 -7,-0.4 3,-0.4 0.951 112.4 51.2 -73.6 -50.7 44.4 27.5 49.0 612 260 B V H X S+ 0 0 10 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.900 107.8 54.4 -50.0 -44.6 46.9 29.0 46.6 613 261 B D H X S+ 0 0 114 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.869 110.0 46.1 -63.6 -37.9 49.5 26.5 47.6 614 262 B F H X S+ 0 0 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S+ 0 0 105 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.816 115.9 64.6 -53.3 -35.7 52.0 31.0 33.1 625 273 B R H 3> S+ 0 0 95 1,-0.2 4,-1.0 2,-0.2 -66,-0.4 0.873 102.5 43.8 -56.1 -46.5 48.7 32.8 32.2 626 274 B Y H <> S+ 0 0 0 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.797 108.3 58.2 -72.1 -32.5 46.4 30.6 34.4 627 275 B K H X S+ 0 0 72 -4,-1.3 4,-3.1 1,-0.2 5,-0.2 0.841 99.0 59.6 -68.4 -34.2 48.8 30.6 37.4 628 276 B E H X S+ 0 0 76 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.951 101.6 55.9 -51.8 -51.2 48.5 34.4 37.4 629 277 B L H >X S+ 0 0 0 -4,-1.0 4,-2.2 1,-0.2 3,-0.5 0.938 111.9 40.2 -47.1 -58.1 44.8 33.9 37.9 630 278 B I H 3< S+ 0 0 1 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.950 115.3 51.2 -58.3 -50.8 45.3 31.7 41.0 631 279 B H H 3< S+ 0 0 127 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.715 113.9 46.9 -64.3 -20.3 48.2 33.9 42.3 632 280 B T H << S+ 0 0 50 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.833 81.6 107.1 -92.4 -35.3 45.9 37.0 41.9 633 281 B T < - 0 0 0 -4,-2.2 3,-0.1 -5,-0.2 -84,-0.1 -0.188 54.5-158.3 -46.6 124.7 42.7 35.8 43.5 634 282 B L S S+ 0 0 141 -86,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.909 72.2 2.1 -73.3 -45.2 42.3 37.5 46.8 635 283 B S - 0 0 76 -87,-0.3 -87,-0.6 -28,-0.0 -1,-0.3 -0.999 65.1-147.1-149.2 151.5 39.9 34.9 48.2 636 284 B F E -W 547 0G 11 -2,-0.3 2,-0.4 -31,-0.3 -89,-0.2 -0.715 7.2-146.3-115.3 157.6 38.4 31.6 47.2 637 285 B V E -W 546 0G 58 -91,-2.0 2,-1.0 -2,-0.2 -91,-0.9 -0.845 17.6-169.7-128.4 96.3 35.0 29.8 47.9 638 286 B G E +W 545 0G 23 -2,-0.4 2,-0.4 -93,-0.2 -93,-0.2 -0.719 16.1 159.5 -93.5 98.5 35.4 26.0 48.1 639 287 B L E -W 544 0G 88 -2,-1.0 -95,-1.3 -95,-0.9 3,-0.1 -0.964 36.3-121.7-116.9 136.2 32.2 24.1 48.2 640 288 B A E -W 543 0G 5 -2,-0.4 2,-0.4 -97,-0.2 -97,-0.3 -0.268 34.3 -99.7 -66.9 151.7 31.8 20.4 47.3 641 289 B T E - 0 0 2 -99,-1.8 -101,-3.0 28,-0.1 -100,-0.6 -0.634 51.0-173.9 -72.4 130.6 29.4 19.3 44.5 642 290 B R E -W 539 0G 77 -2,-0.4 2,-0.4 -103,-0.3 -103,-0.2 -0.917 16.8-159.6-128.1 151.0 26.2 18.1 46.1 643 291 B I E -W 538 0G 21 -105,-2.9 -105,-2.0 -2,-0.3 25,-0.2 -0.993 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54.9 654 302 B R - 0 0 53 -2,-0.4 -122,-0.1 1,-0.1 -123,-0.0 -0.998 38.6-134.3-133.1 133.1 1.7 16.0 55.9 655 303 B P S S- 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -124,-0.0 0.812 90.5 -5.6 -55.4 -38.1 0.2 17.9 58.8 656 304 B L S S- 0 0 21 -3,-0.0 2,-0.5 -138,-0.0 -139,-0.1 -0.805 100.3 -64.2-141.3-178.6 -0.5 20.9 56.6 657 305 B P + 0 0 18 0, 0.0 -139,-1.4 0, 0.0 2,-0.3 -0.645 63.6 151.6 -81.5 130.1 0.2 21.9 53.0 658 306 B I E +r 518 0E 3 -2,-0.5 2,-0.3 -141,-0.2 -139,-0.2 -0.993 10.8 164.7-153.7 144.7 3.9 22.3 52.2 659 307 B T E -r 519 0E 0 -141,-1.8 -139,-2.4 -2,-0.3 2,-0.3 -0.892 23.1-124.9-152.3-177.7 6.1 21.9 49.2 660 308 B M E +r 520 0E 0 -2,-0.3 2,-0.3 -141,-0.2 -139,-0.2 -0.999 18.7 177.6-143.4 137.4 9.5 22.7 47.6 661 309 B I > + 0 0 0 -141,-2.0 3,-1.0 -2,-0.3 2,-0.1 -0.911 53.2 10.1-131.9 164.1 10.9 24.4 44.5 662 310 B G T >> S- 0 0 1 -2,-0.3 4,-1.9 1,-0.2 3,-1.2 -0.452 127.1 -18.4 67.3-138.6 14.3 25.2 43.1 663 311 B D H 3> S+ 0 0 57 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.724 130.5 69.5 -78.5 -21.1 17.3 23.6 44.8 664 312 B A H <4 S+ 0 0 0 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.734 111.2 37.6 -61.9 -21.6 15.3 22.9 48.0 665 313 B A H <4 S- 0 0 0 -3,-1.2 -2,-0.2 -4,-0.1 -1,-0.2 0.899 139.8 -0.5 -94.3 -50.4 13.7 20.4 45.7 666 314 B H H < - 0 0 0 -4,-1.9 -3,-0.2 9,-0.1 -2,-0.2 -0.148 65.9-174.1-147.3 45.0 16.4 19.0 43.4 667 315 B L < + 0 0 26 -4,-1.9 -23,-3.0 -144,-0.1 8,-0.1 -0.126 21.6 174.9 -38.7 126.9 19.8 20.4 44.1 668 316 B M - 0 0 13 -25,-0.2 -25,-0.2 6,-0.1 -26,-0.1 -0.989 38.4 -71.2-147.5 150.2 22.1 19.0 41.3 669 317 B P - 0 0 1 0, 0.0 3,-0.4 0, 0.0 5,-0.2 -0.132 40.9-128.9 -46.4 130.0 25.7 19.4 40.1 670 318 B P S > S+ 0 0 86 0, 0.0 3,-0.5 0, 0.0 -3,-0.0 0.267 82.7 103.5 -66.9 11.8 26.3 22.8 38.3 671 319 B F T 3 S+ 0 0 19 1,-0.2 56,-0.0 2,-0.1 0, 0.0 0.239 81.5 37.4 -84.7 12.5 27.8 21.0 35.3 672 320 B A T 3 S- 0 0 28 -3,-0.4 -1,-0.2 2,-0.4 3,-0.1 0.417 100.9-111.5-144.2 -0.6 24.8 21.3 32.9 673 321 B G S <> S+ 0 0 27 -3,-0.5 4,-0.6 1,-0.4 2,-0.3 0.517 79.8 126.2 69.2 1.6 23.1 24.7 33.4 674 322 B Q T 4 + 0 0 40 -5,-0.2 -1,-0.4 42,-0.1 2,-0.4 -0.609 42.8 75.1 -71.4 153.4 20.2 22.9 34.8 675 323 B G T > S+ 0 0 13 -2,-0.3 4,-2.1 -3,-0.1 5,-0.2 -0.824 98.1 33.3 139.7 -94.2 19.6 24.5 38.2 676 324 B V H > S+ 0 0 16 -2,-0.4 4,-2.1 2,-0.2 5,-0.2 0.868 120.2 53.6 -66.6 -34.2 18.0 27.8 37.8 677 325 B N H X S+ 0 0 0 -4,-0.6 4,-2.8 2,-0.2 3,-0.4 0.984 109.9 42.9 -65.7 -59.8 16.0 26.6 34.7 678 326 B S H > S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 115.8 53.4 -49.5 -40.5 14.4 23.5 36.2 679 327 B G H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.831 107.1 48.5 -69.8 -33.3 13.7 25.6 39.3 680 328 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 -3,-0.4 3,-0.4 0.928 109.0 53.1 -70.5 -44.8 12.0 28.4 37.4 681 329 B V H X S+ 0 0 27 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.885 103.4 61.4 -51.0 -37.3 9.9 25.7 35.6 682 330 B D H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 5,-0.3 0.916 106.2 43.4 -54.9 -47.9 9.1 24.6 39.1 683 331 B A H X S+ 0 0 0 -4,-1.4 4,-3.0 -3,-0.4 5,-0.3 0.916 110.3 55.7 -62.0 -45.9 7.5 28.0 39.9 684 332 B L H X S+ 0 0 21 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.900 113.9 40.8 -59.0 -38.9 5.7 28.1 36.6 685 333 B I H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.955 117.8 42.3 -77.7 -51.9 4.0 24.8 37.3 686 334 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.891 114.3 53.9 -63.2 -37.1 3.2 25.1 40.9 687 335 B S H < S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.950 109.6 46.3 -65.6 -46.6 2.0 28.6 40.4 688 336 B D H >X S+ 0 0 41 -4,-1.7 3,-2.6 -5,-0.3 4,-2.5 0.973 112.5 51.2 -53.6 -56.3 -0.4 27.6 37.6 689 337 B N H 3< S+ 0 0 19 -4,-2.6 4,-0.5 1,-0.3 5,-0.3 0.843 108.1 53.9 -49.7 -38.5 -1.7 24.7 39.7 690 338 B L T 3< S+ 0 0 30 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.328 121.1 27.1 -81.0 8.4 -2.2 27.1 42.6 691 339 B A T <4 S+ 0 0 38 -3,-2.6 -2,-0.2 -4,-0.1 -1,-0.2 0.635 97.3 76.9-136.6 -32.7 -4.4 29.6 40.6 692 340 B D S < S- 0 0 101 -4,-2.5 -3,-0.1 -5,-0.2 -2,-0.1 0.750 85.0-132.0 -63.5 -29.8 -6.2 27.9 37.7 693 341 B G + 0 0 71 -4,-0.5 -1,-0.1 -5,-0.2 -3,-0.1 0.787 69.8 124.6 78.2 32.2 -8.9 26.3 39.8 694 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0 42 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.922 111.9 51.2 -44.4 -49.9 25.3 13.5 37.1 722 370 B Q H X S+ 0 0 89 -4,-2.3 4,-2.0 -5,-0.4 -2,-0.2 0.900 109.9 46.6 -63.1 -43.0 26.1 12.1 33.7 723 371 B N H X S+ 0 0 49 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.921 109.2 57.1 -65.2 -41.4 28.0 15.2 32.5 724 372 B E H X S+ 0 0 15 -4,-3.0 4,-1.3 1,-0.2 3,-0.2 0.960 107.1 47.5 -49.7 -56.7 29.8 15.2 35.8 725 373 B I H X S+ 0 0 99 -4,-2.5 4,-0.8 1,-0.2 3,-0.3 0.908 111.7 50.5 -53.8 -44.9 31.0 11.7 35.3 726 374 B E H < S+ 0 0 100 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.866 105.9 53.2 -66.9 -39.6 32.2 12.4 31.7 727 375 B M H < S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 -153,-0.2 0.827 110.5 44.7 -67.4 -35.9 34.2 15.5 32.4 728 376 B F H < S+ 0 0 20 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.511 81.4 121.4 -92.6 -6.5 36.4 14.1 35.1 729 377 B K S < S- 0 0 41 -4,-0.8 -155,-0.3 -3,-0.5 3,-0.3 -0.336 83.8-103.5 -50.3 135.9 37.1 10.9 33.2 730 378 B P S S+ 0 0 120 0, 0.0 2,-0.9 0, 0.0 -156,-0.7 0.811 111.9 37.0 -32.7 -60.3 40.9 10.8 32.8 731 379 B D S 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24,-1.0 -2,-0.3 2,-0.4 -0.720 4.4-157.7-105.5 150.6 -3.7 -22.3 53.9 742 20 C A E -cd 765 886I 2 143,-2.7 145,-2.7 -2,-0.3 2,-0.6 -0.942 5.5-163.7-130.2 110.9 -7.1 -23.2 55.3 743 21 C I E -cd 766 887I 0 22,-3.2 24,-2.3 -2,-0.4 2,-0.9 -0.835 13.5-144.8 -92.2 123.5 -10.2 -21.8 53.6 744 22 C I E +cd 767 888I 5 143,-2.7 145,-1.7 -2,-0.6 24,-0.2 -0.786 67.3 32.7 -89.5 107.9 -13.3 -22.0 55.7 745 23 C G - 0 0 7 22,-2.0 2,-0.7 -2,-0.9 23,-0.2 0.337 63.7-131.1 118.9 118.7 -16.3 -22.8 53.5 746 24 C G + 0 0 1 4,-0.2 -1,-0.1 21,-0.1 144,-0.1 -0.222 59.4 138.2 -87.5 45.3 -16.9 -24.8 50.4 747 25 C G S > S- 0 0 23 -2,-0.7 4,-3.0 142,-0.6 5,-0.4 -0.300 75.3 -98.6 -79.2 169.7 -18.8 -22.0 48.6 748 26 C P H > S+ 0 0 31 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.959 131.8 46.5 -52.8 -42.4 -18.4 -21.1 44.9 749 27 C V H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.915 114.4 46.2 -65.8 -42.9 -16.1 -18.4 46.3 750 28 C G H > S+ 0 0 0 139,-0.3 4,-2.3 1,-0.2 -4,-0.2 0.974 112.9 46.9 -58.7 -57.8 -14.3 -20.7 48.7 751 29 C L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.785 111.5 52.6 -61.7 -29.5 -13.7 -23.6 46.2 752 30 C T H X S+ 0 0 2 -4,-1.5 4,-2.7 -5,-0.4 5,-0.3 0.970 106.5 51.6 -68.6 -53.5 -12.5 -21.2 43.6 753 31 C M H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.894 111.0 51.5 -44.9 -46.6 -9.9 -19.7 46.0 754 32 C A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.910 109.6 47.8 -59.6 -47.4 -8.8 -23.3 46.6 755 33 C K H X S+ 0 0 38 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.965 111.3 49.4 -57.7 -54.3 -8.4 -24.1 42.9 756 34 C L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.747 116.9 42.5 -61.2 -28.8 -6.4 -21.0 42.1 757 35 C L H ><>S+ 0 0 0 -4,-1.5 3,-1.7 -5,-0.3 5,-0.7 0.911 113.2 51.4 -78.2 -47.6 -4.1 -21.6 45.1 758 36 C Q H ><5S+ 0 0 26 -4,-3.0 3,-2.4 1,-0.3 -2,-0.2 0.887 103.0 57.2 -60.8 -44.3 -3.8 -25.4 44.5 759 37 C Q T 3<5S+ 0 0 88 -4,-2.8 -1,-0.3 1,-0.3 -3,-0.1 0.527 104.5 56.1 -65.3 -6.0 -2.8 -25.0 40.8 760 38 C N T < 5S- 0 0 86 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.343 121.0-108.4-103.1 2.4 0.1 -22.8 42.0 761 39 C G T < 5S+ 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