==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-05 1ZN3 . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN TYPE E; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR R.AGARWAL,T.BINZ,S.SWAMINATHAN . 798 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 11.9 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 . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 52 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 1 0 4 1 0 3 1 1 1 0 0 2 0 1 0 1 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 . 9 4 7 7 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 . 3 2 1 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 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 P 0 0 43 0, 0.0 2,-0.4 0, 0.0 103,-0.1 0.000 360.0 360.0 360.0 172.1 54.4 14.0 16.5 2 2 A K - 0 0 159 701,-0.0 2,-0.5 2,-0.0 34,-0.3 -0.779 360.0-139.4 -98.1 142.7 51.7 13.8 13.9 3 3 A I - 0 0 24 -2,-0.4 2,-0.4 32,-0.1 32,-0.2 -0.893 7.3-143.6-107.9 129.4 52.0 11.2 11.1 4 4 A N - 0 0 23 30,-3.5 2,-0.6 -2,-0.5 699,-0.0 -0.761 9.6-155.4 -91.0 131.7 51.2 12.0 7.5 5 5 A S - 0 0 76 -2,-0.4 2,-0.3 83,-0.0 79,-0.1 -0.931 19.3-178.3-109.3 121.3 49.5 9.3 5.5 6 6 A F - 0 0 10 -2,-0.6 2,-0.4 77,-0.2 81,-0.1 -0.791 28.0-136.9-120.2 159.5 50.0 9.5 1.7 7 7 A N > - 0 0 71 -2,-0.3 3,-1.9 1,-0.1 73,-0.1 -0.874 31.5-122.7-103.3 145.4 48.9 7.7 -1.4 8 8 A Y T 3 S+ 0 0 17 -2,-0.4 -1,-0.1 1,-0.3 69,-0.1 0.871 112.4 52.6 -59.4 -32.7 51.8 7.2 -3.8 9 9 A N T 3 S+ 0 0 126 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.410 73.9 126.1 -84.7 3.2 49.8 9.0 -6.5 10 10 A D S < S- 0 0 38 -3,-1.9 3,-0.1 1,-0.1 -4,-0.0 -0.479 74.6-101.5 -59.4 125.8 49.1 12.1 -4.3 11 11 A P - 0 0 102 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.111 34.7 -97.1 -54.7 145.8 50.4 14.9 -6.5 12 12 A V + 0 0 27 1,-0.1 6,-0.2 -3,-0.1 124,-0.0 -0.458 42.2 176.0 -62.5 124.8 53.7 16.6 -5.9 13 13 A N - 0 0 32 4,-1.1 5,-0.2 -2,-0.2 -1,-0.1 0.295 41.6-121.6-117.8 9.1 53.0 19.7 -3.9 14 14 A D S S+ 0 0 57 3,-2.0 4,-0.2 1,-0.2 -2,-0.1 0.708 97.4 62.7 59.2 24.5 56.6 20.9 -3.3 15 15 A R S S+ 0 0 100 2,-0.4 -1,-0.2 692,-0.0 691,-0.1 0.430 121.5 2.7-134.6 -71.3 56.2 20.8 0.5 16 16 A T S S+ 0 0 1 689,-0.3 17,-3.0 1,-0.2 2,-0.4 0.577 134.9 48.7 -97.7 -14.8 55.5 17.4 1.9 17 17 A I E S+A 32 0A 1 15,-0.2 -3,-2.0 688,-0.2 -4,-1.1 -0.954 74.3 113.5-132.3 115.2 55.8 15.7 -1.5 18 18 A L E -A 31 0A 6 13,-1.5 13,-3.2 -2,-0.4 2,-0.4 -0.878 61.6 -71.4-158.5-172.9 58.6 16.3 -3.9 19 19 A Y E -AB 30 134A 74 115,-1.9 115,-1.4 -2,-0.3 2,-0.4 -0.777 39.8-167.6-100.7 140.5 61.6 14.7 -5.6 20 20 A I E -AB 29 133A 0 9,-2.3 9,-2.4 -2,-0.4 113,-0.2 -0.951 16.1-164.2-127.8 145.3 64.8 13.7 -3.8 21 21 A K E - B 0 132A 51 111,-2.2 111,-0.9 -2,-0.4 7,-0.1 -0.910 22.7-153.0-125.7 97.7 68.2 12.5 -5.0 22 22 A P > - 0 0 1 0, 0.0 3,-1.5 0, 0.0 5,-0.1 -0.279 34.7 -85.4 -66.6 156.8 70.0 10.9 -2.1 23 23 A G T 3 S+ 0 0 41 1,-0.3 3,-0.1 104,-0.2 108,-0.0 -0.428 120.0 32.1 -63.5 139.2 73.8 11.0 -2.0 24 24 A G T 3 S+ 0 0 49 1,-0.4 24,-0.5 23,-0.1 2,-0.3 0.532 102.5 105.7 89.9 6.6 75.2 8.1 -4.0 25 25 A C < - 0 0 12 -3,-1.5 -1,-0.4 22,-0.1 -4,-0.0 -0.871 58.6-153.5-120.4 154.5 72.2 8.2 -6.4 26 26 A Q S S+ 0 0 144 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.419 72.5 38.7-107.4 -1.8 71.9 9.4 -9.9 27 27 A E S S- 0 0 115 -5,-0.1 2,-0.3 -7,-0.1 -7,-0.0 -0.937 78.4-100.9-144.6 169.0 68.2 10.4 -10.1 28 28 A F - 0 0 33 -2,-0.3 2,-0.4 -7,-0.1 -7,-0.2 -0.667 31.3-157.1 -90.9 145.6 65.3 12.0 -8.3 29 29 A Y E -A 20 0A 15 -9,-2.4 -9,-2.3 -2,-0.3 2,-0.2 -0.952 28.8-104.6-124.0 143.0 62.6 9.9 -6.6 30 30 A K E -A 19 0A 33 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.509 52.1-169.2 -63.9 127.1 59.0 10.9 -5.6 31 31 A S E -A 18 0A 0 -13,-3.2 -13,-1.5 -2,-0.2 2,-0.4 -0.948 18.2-147.9-129.4 148.6 59.3 11.3 -1.9 32 32 A F E -AC 17 40A 0 8,-2.4 8,-3.0 -2,-0.3 2,-1.5 -0.951 12.6-141.1-122.9 126.9 56.9 11.8 1.1 33 33 A N E + 0 0 14 -17,-3.0 6,-0.2 -2,-0.4 3,-0.1 -0.639 25.0 176.3 -83.8 86.7 57.4 13.8 4.3 34 34 A I E - 0 0 2 -2,-1.5 -30,-3.5 4,-0.5 2,-0.3 0.796 66.0 -15.0 -64.3 -33.5 55.7 11.4 6.8 35 35 A M E > S- C 0 38A 3 3,-1.3 3,-2.8 -32,-0.2 -1,-0.2 -0.956 105.7 -40.1-162.3 165.7 56.6 13.5 9.8 36 36 A K T 3 S- 0 0 85 -34,-0.3 3,-0.1 -2,-0.3 -2,-0.1 -0.018 124.2 -14.0 -40.5 114.6 59.0 16.4 10.7 37 37 A N T 3 S+ 0 0 34 1,-0.2 109,-2.3 109,-0.1 110,-2.3 0.639 111.8 110.8 64.3 16.9 62.4 15.9 9.0 38 38 A I E < -Cd 35 147A 0 -3,-2.8 -3,-1.3 108,-0.2 -4,-0.5 -0.986 45.5-176.4-123.1 123.8 61.6 12.3 8.2 39 39 A W E - d 0 148A 9 108,-2.1 110,-3.0 -2,-0.5 2,-0.5 -0.929 15.7-148.1-123.0 146.8 61.1 11.4 4.6 40 40 A I E -Cd 32 149A 1 -8,-3.0 -8,-2.4 -2,-0.4 110,-0.2 -0.949 7.6-171.9-115.4 124.5 60.1 8.1 2.9 41 41 A I E - 0 0 0 108,-3.1 2,-2.5 -2,-0.5 110,-0.5 -0.931 15.6-151.2-114.6 104.8 61.3 7.2 -0.6 42 42 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 108,-0.1 -0.424 59.8 108.3 -75.7 68.2 59.4 4.1 -1.8 43 43 A E E S- 0 0 26 -2,-2.5 108,-2.9 -14,-0.1 -2,-0.1 -0.975 80.6 -93.6-141.4 150.0 62.3 3.0 -4.0 44 44 A R E - d 0 151A 7 29,-0.4 2,-1.5 -2,-0.3 109,-0.2 -0.373 49.8-106.9 -60.6 143.7 64.8 0.1 -3.7 45 45 A N + 0 0 12 107,-1.2 -1,-0.1 106,-0.8 105,-0.0 -0.606 48.4 167.6 -80.1 93.5 67.9 1.4 -2.0 46 46 A V > + 0 0 39 -2,-1.5 3,-1.3 107,-0.1 -1,-0.2 0.514 29.3 130.0 -82.1 -6.6 70.4 1.5 -4.9 47 47 A I T 3 S+ 0 0 47 1,-0.3 -22,-0.1 -3,-0.1 -23,-0.1 -0.207 78.3 10.1 -51.9 136.0 72.9 3.5 -2.9 48 48 A G T 3 S+ 0 0 73 -24,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.815 113.7 101.2 64.3 34.1 76.3 1.9 -3.2 49 49 A T < - 0 0 44 -3,-1.3 -1,-0.2 -25,-0.3 -3,-0.1 -0.883 60.2-137.0-143.8 174.8 75.3 -0.5 -5.9 50 50 A T >> - 0 0 84 -2,-0.3 3,-3.1 -3,-0.1 4,-0.7 -0.977 42.3-105.2-130.3 140.3 75.3 -1.6 -9.6 51 51 A P G >4 S+ 0 0 102 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.773 119.9 57.7 -34.9 -40.5 72.2 -3.0 -11.4 52 52 A Q G >4 S+ 0 0 146 1,-0.3 3,-0.7 2,-0.2 -3,-0.0 0.749 89.9 69.3 -67.8 -25.5 73.8 -6.5 -11.3 53 53 A D G <4 S+ 0 0 81 -3,-3.1 -1,-0.3 1,-0.3 -4,-0.0 0.783 99.1 54.2 -62.7 -24.5 74.1 -6.5 -7.5 54 54 A F G << S+ 0 0 16 -3,-1.1 -1,-0.3 -4,-0.7 15,-0.3 0.728 89.3 92.0 -81.1 -24.6 70.4 -6.7 -7.6 55 55 A H S < S- 0 0 102 -3,-0.7 14,-0.0 -4,-0.5 -3,-0.0 -0.526 94.5 -83.6 -76.1 138.8 70.3 -9.8 -9.8 56 56 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.115 24.2-155.8 -46.9 120.2 70.2 -13.2 -8.0 57 57 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.868 88.5 8.4 -60.8 -39.3 73.5 -14.8 -6.9 58 58 A T - 0 0 43 1,-0.1 10,-0.2 3,-0.0 0, 0.0 -0.985 60.2-159.5-144.1 148.1 71.8 -18.1 -7.0 59 59 A S S > S+ 0 0 96 -2,-0.3 3,-1.2 -3,-0.1 -1,-0.1 0.916 91.2 34.2 -92.2 -62.5 68.4 -19.3 -8.4 60 60 A L T 3 S+ 0 0 120 1,-0.3 344,-0.3 341,-0.1 342,-0.3 0.837 120.6 47.6 -63.7 -39.8 67.7 -22.6 -6.7 61 61 A K T > S+ 0 0 149 340,-0.1 3,-0.9 342,-0.1 2,-0.5 0.007 87.3 138.3 -92.0 28.9 69.3 -21.8 -3.3 62 62 A N T < + 0 0 27 -3,-1.2 5,-0.2 1,-0.2 340,-0.1 -0.647 62.5 17.0 -86.4 126.3 67.5 -18.5 -3.3 63 63 A G T 3 S+ 0 0 0 3,-1.9 -1,-0.2 -2,-0.5 4,-0.2 0.437 93.5 104.2 99.5 3.7 66.0 -17.3 -0.1 64 64 A D S < S- 0 0 84 -3,-0.9 292,-0.3 2,-0.3 -2,-0.1 0.947 105.5 -5.1 -81.9 -49.5 68.0 -19.6 2.2 65 65 A S S S+ 0 0 99 1,-0.5 2,-0.3 -4,-0.4 -3,-0.1 0.632 143.4 9.2-113.9 -27.4 70.5 -17.2 3.7 66 66 A S - 0 0 24 90,-0.0 -3,-1.9 290,-0.0 -1,-0.5 -0.956 69.2-137.6-147.8 159.8 69.6 -14.1 1.6 67 67 A Y - 0 0 31 -2,-0.3 89,-4.1 -4,-0.2 2,-0.3 -0.937 15.4-169.4-134.4 115.7 66.8 -13.2 -0.8 68 68 A Y B +H 155 0B 46 -2,-0.4 87,-0.1 87,-0.2 -13,-0.1 -0.766 17.0 157.3-104.5 143.3 67.1 -11.4 -4.1 69 69 A D > - 0 0 47 85,-0.6 3,-1.7 -2,-0.3 -14,-0.1 -0.585 16.4-172.3-162.5 91.2 64.4 -10.0 -6.4 70 70 A P T 3 S+ 0 0 30 0, 0.0 -15,-0.1 0, 0.0 -26,-0.1 0.757 88.1 60.0 -58.7 -23.8 65.3 -7.3 -8.8 71 71 A N T > S+ 0 0 116 -17,-0.1 3,-1.0 3,-0.0 4,-0.3 0.569 77.1 113.1 -81.1 -13.3 61.6 -6.8 -9.6 72 72 A Y T < S+ 0 0 21 -3,-1.7 -28,-0.2 1,-0.2 -3,-0.1 -0.415 85.6 6.8 -65.5 134.1 60.6 -6.0 -6.1 73 73 A L T 3 S+ 0 0 0 -2,-0.1 -29,-0.4 -30,-0.1 -1,-0.2 0.851 92.5 120.1 64.5 40.0 59.3 -2.4 -5.7 74 74 A Q < + 0 0 102 -3,-1.0 2,-0.2 -31,-0.1 -2,-0.1 0.821 53.6 68.3-101.6 -38.0 59.4 -1.5 -9.4 75 75 A S S >> S- 0 0 51 -4,-0.3 4,-1.7 1,-0.1 3,-0.9 -0.545 83.1-121.4 -86.9 150.2 55.8 -0.6 -10.3 76 76 A D H 3> S+ 0 0 104 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.877 115.9 59.1 -52.0 -38.5 54.0 2.5 -9.0 77 77 A E H 3> S+ 0 0 133 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.860 104.4 47.3 -59.8 -39.8 51.5 0.1 -7.5 78 78 A E H <> S+ 0 0 64 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.791 108.1 57.0 -73.3 -28.2 54.2 -1.6 -5.4 79 79 A K H X S+ 0 0 20 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.894 104.2 51.5 -69.4 -39.5 55.5 1.7 -4.2 80 80 A D H X S+ 0 0 25 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.940 108.9 52.2 -61.9 -44.9 52.1 2.6 -2.9 81 81 A R H X S+ 0 0 62 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.948 111.0 45.9 -54.8 -52.5 52.0 -0.7 -1.0 82 82 A F H X S+ 0 0 2 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.924 113.1 50.4 -57.0 -45.9 55.4 -0.0 0.6 83 83 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.893 110.9 49.2 -60.8 -39.6 54.4 3.5 1.5 84 84 A K H X S+ 0 0 72 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.858 113.5 47.3 -67.7 -36.6 51.2 2.2 3.0 85 85 A I H X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.902 112.6 46.2 -72.0 -43.9 53.2 -0.4 5.0 86 86 A V H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.895 112.5 52.6 -66.7 -37.3 55.8 2.0 6.3 87 87 A T H X S+ 0 0 10 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.884 107.6 51.1 -65.1 -38.8 53.1 4.5 7.2 88 88 A K H X S+ 0 0 21 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.877 109.3 50.1 -65.8 -39.4 51.2 1.8 9.2 89 89 A I H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.843 108.0 53.8 -68.7 -34.1 54.3 0.9 11.2 90 90 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.882 108.8 49.1 -67.4 -37.3 55.0 4.5 12.0 91 91 A N H < S+ 0 0 42 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.819 108.1 53.6 -71.8 -28.6 51.5 4.8 13.3 92 92 A R H >< S+ 0 0 5 -4,-1.5 3,-0.9 2,-0.2 -2,-0.2 0.914 111.5 45.6 -68.6 -42.3 52.0 1.7 15.4 93 93 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 6,-0.3 0.866 113.7 49.1 -65.2 -39.4 55.1 3.3 16.9 94 94 A N T 3< S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.395 96.7 72.2 -82.0 0.7 53.2 6.6 17.4 95 95 A N T < S+ 0 0 89 -3,-0.9 2,-0.4 -4,-0.2 -1,-0.2 0.485 94.2 64.2 -91.2 -7.6 50.4 4.6 19.1 96 96 A N S <> S- 0 0 34 -3,-1.0 4,-2.2 -4,-0.2 5,-0.2 -0.961 82.4-135.1-120.8 134.0 52.7 4.1 22.1 97 97 A L H > S+ 0 0 154 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.882 107.4 52.3 -53.8 -43.9 54.0 7.0 24.2 98 98 A S H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 110.9 48.7 -60.3 -40.8 57.5 5.6 24.3 99 99 A G H > S+ 0 0 0 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.839 109.2 51.8 -68.2 -35.2 57.4 5.4 20.5 100 100 A G H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 107.5 52.5 -66.8 -42.7 56.1 8.9 20.2 101 101 A I H X S+ 0 0 94 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 109.9 50.7 -56.8 -44.5 59.0 10.2 22.4 102 102 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.933 111.7 44.0 -59.9 -51.7 61.4 8.4 20.1 103 103 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.813 112.3 55.3 -64.6 -30.7 60.1 9.9 16.9 104 104 A E H < S+ 0 0 67 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.895 107.4 48.7 -68.8 -40.4 59.9 13.3 18.6 105 105 A E H >< S+ 0 0 27 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.909 108.7 53.5 -65.5 -43.7 63.6 13.0 19.5 106 106 A L H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.853 103.4 57.4 -59.8 -36.4 64.5 12.1 16.0 107 107 A S T 3< S+ 0 0 4 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.580 112.1 41.3 -73.2 -8.2 62.7 15.1 14.6 108 108 A K T < S+ 0 0 105 -3,-1.4 2,-0.6 -4,-0.4 -1,-0.2 0.277 86.0 96.5-120.6 10.4 64.8 17.4 16.7 109 109 A A < + 0 0 0 -3,-1.1 -1,-0.1 -4,-0.3 3,-0.1 -0.319 57.8 178.4 -96.0 50.2 68.2 15.7 16.2 110 110 A N - 0 0 20 -2,-0.6 36,-0.1 1,-0.1 3,-0.1 -0.278 33.9-114.4 -57.8 123.9 69.3 18.0 13.4 111 111 A P - 0 0 8 0, 0.0 67,-0.2 0, 0.0 -1,-0.1 -0.369 40.2-103.4 -59.8 136.9 72.8 17.2 12.1 112 112 A Y - 0 0 5 65,-3.0 2,-2.0 108,-0.3 65,-0.0 -0.323 28.0-117.4 -61.9 143.1 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255 A G >< + 0 0 0 -4,-1.3 3,-1.0 -5,-0.2 95,-0.2 -0.215 34.3 93.2 69.3-162.9 69.7 -3.7 25.4 256 256 A G G > S- 0 0 20 1,-0.2 3,-1.4 2,-0.2 4,-0.3 -0.507 107.4 -16.3 78.7-144.3 68.8 -6.5 27.7 257 257 A T G >> S+ 0 0 61 91,-0.6 3,-1.0 1,-0.3 4,-0.7 0.629 123.5 81.5 -71.1 -12.9 71.5 -8.9 29.0 258 258 A D G <4 S+ 0 0 4 -3,-1.0 -1,-0.3 90,-0.3 4,-0.2 0.531 80.3 66.2 -69.8 -6.1 73.6 -7.7 26.1 259 259 A L G X4 S+ 0 0 72 -3,-1.4 3,-1.2 2,-0.1 -1,-0.2 0.782 87.4 67.2 -85.1 -27.4 74.5 -4.7 28.3 260 260 A N T <4 S+ 0 0 123 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.1 0.948 91.7 61.1 -54.8 -51.0 76.4 -6.9 30.8 261 261 A I T 3< S+ 0 0 55 -4,-0.7 2,-0.7 -10,-0.1 -1,-0.3 0.695 85.5 88.8 -51.6 -23.6 79.1 -7.7 28.2 262 262 A I S < S- 0 0 14 -3,-1.2 -30,-0.0 -4,-0.2 5,-0.0 -0.714 79.5-134.6 -83.2 118.2 80.0 -4.0 28.0 263 263 A T > - 0 0 66 -2,-0.7 4,-1.5 1,-0.1 5,-0.1 -0.044 16.8-112.9 -64.3 171.1 82.6 -3.2 30.6 264 264 A S H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.769 115.9 54.3 -77.5 -28.5 82.5 -0.1 32.8 265 265 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.937 106.3 52.6 -69.9 -46.3 85.6 1.5 31.2 266 266 A Q H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.915 109.8 47.5 -53.7 -49.4 84.0 1.2 27.8 267 267 A S H X S+ 0 0 52 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.853 110.0 54.7 -62.1 -35.6 80.8 3.0 28.9 268 268 A N H X S+ 0 0 89 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.894 104.2 52.8 -65.7 -40.7 83.0 5.6 30.5 269 269 A D H X S+ 0 0 51 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.855 105.7 55.3 -63.4 -36.2 84.9 6.3 27.3 270 270 A I H X S+ 0 0 11 -4,-1.5 4,-2.5 -5,-0.2 5,-0.2 0.974 112.6 43.2 -58.0 -56.2 81.5 6.8 25.5 271 271 A Y H X S+ 0 0 62 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.946 116.3 43.5 -53.8 -61.3 80.6 9.5 28.1 272 272 A T H X S+ 0 0 65 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.870 116.3 49.3 -58.2 -38.9 83.9 11.4 28.3 273 273 A N H X S+ 0 0 66 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.899 110.7 47.6 -70.2 -40.6 84.3 11.3 24.6 274 274 A L H X S+ 0 0 7 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.924 110.2 53.7 -67.0 -41.7 80.9 12.6 23.7 275 275 A L H X 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-4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 116.3 38.4 -59.5 -42.2 70.1 19.9 20.9 306 306 A Y T 3<5S- 0 0 0 -4,-2.4 13,-0.3 -5,-0.1 -1,-0.2 0.336 108.8-115.3 -95.6 10.3 73.5 20.0 22.6 307 307 A G T < 5 + 0 0 4 -3,-1.0 12,-2.5 -4,-0.4 16,-0.3 0.934 57.0 167.4 59.0 49.0 72.4 21.2 26.0 308 308 A L E < -O 318 0G 1 -5,-2.7 2,-0.3 10,-0.2 10,-0.2 -0.670 27.9-153.8 -99.8 151.2 74.3 24.4 25.7 309 309 A D E -O 317 0G 41 8,-2.8 8,-2.5 -2,-0.3 2,-0.5 -0.839 13.3-138.9-114.8 155.6 74.1 27.6 27.8 310 310 A K E -O 316 0G 52 -2,-0.3 6,-0.2 6,-0.2 104,-0.0 -0.977 16.2-148.4-121.6 121.5 75.0 31.0 26.5 311 311 A D > - 0 0 67 4,-2.8 3,-1.5 -2,-0.5 105,-0.1 -0.139 36.0 -89.8 -78.5-179.5 77.0 33.4 28.7 312 312 A A T 3 S+ 0 0 27 1,-0.3 133,-0.1 2,-0.1 104,-0.1 0.851 126.7 56.2 -60.5 -38.8 76.8 37.2 28.8 313 313 A S T 3 S- 0 0 63 2,-0.1 115,-0.4 114,-0.1 -1,-0.3 0.560 122.8-106.6 -71.5 -7.2 79.5 37.6 26.2 314 314 A G S < S+ 0 0 0 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.716 72.6 143.0 88.0 22.6 77.3 35.4 23.9 315 315 A I - 0 0 66 -28,-0.0 -4,-2.8 112,-0.0 2,-0.4 -0.808 44.4-133.8-100.5 137.5 79.5 32.3 24.2 316 316 A Y E +O 310 0G 13 -34,-0.4 2,-0.3 -2,-0.4 -6,-0.2 -0.702 26.2 175.0 -91.6 137.6 78.0 28.8 24.3 317 317 A S E -O 309 0G 59 -8,-2.5 -8,-2.8 -2,-0.4 2,-0.3 -0.936 35.6-100.3-135.4 157.3 79.2 26.2 26.8 318 318 A V E -O 308 0G 20 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.583 28.7-141.6 -80.6 140.8 78.0 22.7 27.6 319 319 A N > - 0 0 40 -12,-2.5 4,-3.3 -13,-0.3 3,-0.3 -0.911 5.9-146.1-106.7 114.0 75.8 22.3 30.6 320 320 A I H > S+ 0 0 83 -2,-0.7 4,-2.8 1,-0.2 -1,-0.1 0.751 96.8 47.5 -47.5 -37.5 76.5 19.1 32.6 321 321 A N H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 114.0 46.6 -74.9 -40.4 73.0 18.5 33.7 322 322 A K H > S+ 0 0 85 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.930 113.9 50.9 -63.8 -41.3 71.6 19.0 30.2 323 323 A F H >X S+ 0 0 2 -4,-3.3 4,-2.2 -16,-0.3 3,-0.6 0.976 108.9 50.1 -58.3 -55.5 74.4 16.8 28.9 324 324 A N H 3X S+ 0 0 55 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.862 109.6 50.8 -52.0 -38.8 73.6 14.1 31.4 325 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-0.972 27.2-155.8-119.5 124.4 49.7 51.3 9.5 573 171 B M > - 0 0 61 -2,-0.5 3,-1.9 -6,-0.2 -6,-0.1 -0.840 7.8-170.0-109.4 105.4 50.1 49.4 12.8 574 172 B P G > S+ 0 0 1 0, 0.0 6,-2.2 0, 0.0 3,-1.4 0.753 85.9 67.7 -57.3 -28.0 51.2 45.8 12.6 575 173 B S G 3 S+ 0 0 0 -9,-0.4 51,-2.1 1,-0.3 52,-0.5 0.488 94.8 58.4 -74.0 -2.9 50.4 45.3 16.3 576 174 B N G < S+ 0 0 33 -3,-1.9 -1,-0.3 50,-0.2 45,-0.0 0.345 104.4 49.2-106.9 3.1 46.7 45.7 15.4 577 175 B H S < S- 0 0 63 -3,-1.4 2,-0.4 -4,-0.1 -1,-0.1 -0.021 115.1 -95.9-134.3 32.2 46.6 42.8 12.9 578 176 B G S S+ 0 0 0 46,-1.8 -64,-0.2 -3,-0.2 47,-0.1 -0.024 107.3 90.1 82.2 -34.6 48.2 39.8 14.6 579 177 B F S S- 0 0 2 -2,-0.4 -65,-2.6 -5,-0.4 -4,-0.2 0.846 73.8-164.8 -64.2 -36.8 51.6 40.3 13.1 580 178 B G - 0 0 1 -6,-2.2 2,-0.3 -67,-0.2 42,-0.3 0.050 4.7-133.1 73.0 172.7 52.8 42.4 15.9 581 179 B S - 0 0 0 40,-0.5 -50,-0.2 -6,-0.1 43,-0.1 -0.975 34.5 -61.8-158.7 163.8 55.9 44.7 16.0 582 180 B I - 0 0 0 -52,-2.2 -16,-1.7 -2,-0.3 2,-0.4 -0.189 49.5-133.8 -53.7 136.0 58.9 45.6 18.2 583 181 B A E -vW 549 565I 0 -35,-2.6 -33,-2.5 -18,-0.2 2,-0.6 -0.792 13.6-159.4 -95.6 133.8 58.0 47.0 21.5 584 182 B I E -vW 550 564I 13 -20,-2.8 -20,-0.9 -2,-0.4 2,-0.5 -0.929 7.2-161.2-116.3 108.5 59.9 50.1 22.7 585 183 B V E -vW 551 563I 0 -35,-2.6 -33,-3.3 -2,-0.6 2,-0.7 -0.767 7.6-157.1 -93.4 132.5 59.8 50.7 26.4 586 184 B T E -vW 552 562I 5 -24,-4.2 -24,-2.3 -2,-0.5 2,-0.5 -0.934 23.6-175.1-104.9 106.7 60.5 54.2 27.8 587 185 B F + 0 0 2 -35,-2.4 -33,-0.4 -2,-0.7 -26,-0.2 -0.924 25.4 179.0-118.4 119.1 61.6 53.5 31.4 588 186 B S > + 0 0 1 -2,-0.5 3,-1.3 -35,-0.2 -35,-0.1 -0.743 13.3 177.1-113.2 80.2 62.4 56.1 34.0 589 187 B P T 3 + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 162,-0.1 0.684 69.1 62.7 -55.5 -31.3 63.2 53.7 37.0 590 188 B E T 3 S+ 0 0 16 1,-0.1 161,-2.3 -32,-0.1 2,-0.4 0.314 98.2 65.9 -86.2 14.3 64.2 56.3 39.6 591 189 B Y E < +Z 750 0L 16 -3,-1.3 2,-0.2 159,-0.2 159,-0.2 -0.955 57.0 157.0-139.6 119.0 60.8 58.0 39.6 592 190 B S E -Z 749 0L 2 157,-1.5 157,-2.8 -2,-0.4 2,-0.2 -0.767 33.4-112.3-129.2 174.3 57.6 56.4 40.8 593 191 B F E -Z 748 0L 10 155,-0.3 12,-2.0 -2,-0.2 2,-0.4 -0.488 21.4-121.5-103.9 176.9 54.2 57.7 42.0 594 192 B R E -ZA 747 604L 65 153,-1.5 153,-0.6 10,-0.2 2,-0.4 -0.983 22.5-174.3-124.0 130.1 52.5 57.6 45.3 595 193 B F E - A 0 603L 4 8,-2.7 8,-3.5 -2,-0.4 2,-0.3 -0.986 11.6-150.6-126.7 127.0 49.1 56.0 46.0 596 194 B N E - A 0 602L 101 -2,-0.4 6,-0.3 6,-0.3 2,-0.1 -0.718 17.7-137.1 -95.1 146.9 47.2 56.2 49.2 597 195 B D > - 0 0 20 4,-2.1 3,-1.5 -2,-0.3 4,-0.2 -0.323 39.1 -72.9 -96.4-178.5 44.8 53.4 50.3 598 196 B N T 3 S+ 0 0 143 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.757 128.5 43.5 -41.5 -34.6 41.4 53.2 51.9 599 197 B S T 3 S- 0 0 79 2,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.214 121.4 -89.2-118.1 50.3 42.9 54.3 55.2 600 198 B M S < S+ 0 0 171 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.578 79.5 139.8 63.5 10.6 45.3 57.2 54.6 601 199 B N - 0 0 58 -4,-0.2 -4,-2.1 178,-0.0 2,-0.5 -0.631 42.5-148.6 -79.8 148.0 48.3 55.0 54.1 602 200 B E E -A 596 0L 55 -6,-0.3 178,-2.5 -2,-0.2 2,-0.4 -0.986 14.4-164.5-121.0 120.7 50.5 56.3 51.3 603 201 B F E -AB 595 779L 4 -8,-3.5 -8,-2.7 -2,-0.5 2,-0.4 -0.883 15.7-135.0-113.9 139.0 52.3 53.7 49.2 604 202 B I E -A 594 0L 0 174,-2.6 2,-0.2 -2,-0.4 -10,-0.2 -0.735 30.6-117.6 -88.9 132.0 55.2 54.0 46.8 605 203 B Q - 0 0 8 -12,-2.0 133,-0.1 -2,-0.4 3,-0.1 -0.482 25.2-120.9 -69.0 131.5 54.8 52.1 43.6 606 204 B D > - 0 0 2 131,-0.4 4,-0.9 -2,-0.2 3,-0.3 -0.571 13.4-143.3 -72.8 130.9 57.4 49.4 43.1 607 205 B P H >> S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 3,-1.3 0.926 98.5 64.5 -61.4 -42.2 59.3 50.2 39.8 608 206 B A H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.894 103.1 48.3 -45.8 -46.4 59.5 46.5 39.1 609 207 B L H 3> S+ 0 0 4 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.739 106.7 56.1 -68.0 -26.2 55.7 46.4 38.8 610 208 B T H S+ 0 0 0 -4,-1.8 5,-3.7 1,-0.2 6,-0.3 0.886 113.9 44.0 -61.4 -37.3 49.9 42.3 23.6 621 219 B G H ><5S+ 0 0 0 -4,-1.7 3,-1.3 3,-0.2 -40,-0.5 0.845 109.0 57.4 -74.9 -34.1 51.4 44.3 20.8 622 220 B L H 3<5S+ 0 0 0 -4,-2.6 -108,-0.2 1,-0.3 -2,-0.2 0.878 109.8 44.0 -63.6 -38.2 53.9 41.6 20.0 623 221 B Y T 3<5S- 0 0 9 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.337 118.4-118.5 -87.1 9.1 51.1 39.1 19.5 624 222 B G T < 5S+ 0 0 1 -3,-1.3 -46,-1.8 -5,-0.2 3,-0.3 0.870 70.3 138.2 56.6 43.5 49.4 41.9 17.5 625 223 B A >< + 0 0 4 -5,-3.7 4,-0.7 1,-0.2 3,-0.4 0.215 41.5 86.7-102.3 13.1 46.4 41.9 19.9 626 224 B K H > + 0 0 20 -51,-2.1 4,-2.2 -6,-0.3 5,-0.3 0.575 57.4 95.8 -90.1 -8.9 45.9 45.7 20.1 627 225 B G H 4 S+ 0 0 15 -52,-0.5 -1,-0.2 -3,-0.3 -51,-0.1 0.766 103.2 18.0 -51.7 -31.4 43.6 46.1 17.1 628 226 B I H >> S+ 0 0 16 -3,-0.4 4,-2.9 3,-0.1 3,-0.8 0.784 122.4 56.7-107.8 -43.6 40.4 45.9 19.2 629 227 B T H 3< S+ 0 0 0 -4,-0.7 12,-1.9 1,-0.3 11,-0.5 0.813 112.7 41.5 -60.9 -34.9 41.6 46.7 22.8 630 228 B T T 3< S+ 0 0 41 -4,-2.2 -1,-0.3 10,-0.2 -3,-0.1 0.529 116.2 52.8 -90.3 -6.9 43.2 50.0 21.8 631 229 B K T <4 S+ 0 0 138 -3,-0.8 -2,-0.2 -5,-0.3 2,-0.1 0.908 97.9 66.2 -89.2 -54.3 40.2 50.8 19.6 632 230 B Y S < S+ 0 0 73 -4,-2.9 8,-2.1 26,-0.1 9,-0.4 -0.448 70.6 173.6 -70.3 139.7 37.4 50.3 22.1 633 231 B T - 0 0 63 6,-0.3 2,-0.3 -2,-0.1 6,-0.2 -0.714 33.0-126.3-136.6-173.7 37.2 52.7 25.0 634 232 B I 0 0 61 4,-0.2 4,-1.1 -2,-0.2 -2,-0.0 -0.863 360.0 360.0-142.9 102.3 35.3 53.9 28.0 635 233 B T 0 0 159 -2,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.778 360.0 360.0-107.5 360.0 34.5 57.7 28.3 636 ! 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 0.0 637 245 B G 0 0 77 0, 0.0 2,-0.6 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 153.4 38.5 57.8 26.7 638 246 B T - 0 0 30 -4,-1.1 -4,-0.2 3,-0.0 5,-0.1 -0.915 360.0-127.2-110.5 108.8 40.4 54.9 28.3 639 247 B N >> - 0 0 54 -2,-0.6 3,-1.5 -6,-0.2 4,-0.5 -0.229 17.1-128.6 -51.1 134.8 41.3 52.1 25.9 640 248 B I H >> S+ 0 0 0 -8,-2.1 4,-2.1 -11,-0.5 3,-1.0 0.772 105.0 78.8 -59.8 -23.2 40.1 48.8 27.4 641 249 B E H 3> S+ 0 0 3 -12,-1.9 4,-2.0 -9,-0.4 -1,-0.3 0.926 88.6 56.9 -47.1 -47.6 43.6 47.6 26.7 642 250 B E H <> S+ 0 0 47 -3,-1.5 4,-2.2 -13,-0.2 -1,-0.3 0.827 106.7 48.2 -53.8 -38.4 44.5 49.5 29.9 643 251 B F H < + 0 0 0 -4,-3.7 3,-1.1 -5,-0.2 95,-0.2 -0.349 26.9 96.8 71.3-150.8 43.2 43.7 35.6 648 256 B G G > S- 0 0 21 1,-0.2 3,-4.1 2,-0.2 4,-0.5 -0.101 104.6 -16.2 62.8-162.3 41.4 43.4 39.0 649 257 B T G 3 S+ 0 0 87 1,-0.3 4,-0.4 91,-0.3 -1,-0.2 0.693 130.0 74.4 -46.3 -18.7 37.9 44.9 39.7 650 258 B D G <> S+ 0 0 3 -3,-1.1 4,-0.5 1,-0.2 3,-0.4 0.624 81.8 67.8 -72.3 -14.6 38.7 46.9 36.5 651 259 B L T X4 S+ 0 0 71 -3,-4.1 3,-1.9 1,-0.2 -1,-0.2 0.951 85.8 67.0 -69.3 -48.9 38.1 43.8 34.4 652 260 B N T 34 S+ 0 0 135 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 87.2 71.2 -42.6 -29.5 34.3 43.7 35.2 653 261 B I T 34 S+ 0 0 74 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.952 82.6 82.8 -56.2 -48.9 34.0 47.0 33.2 654 262 B I S << S- 0 0 19 -3,-1.9 2,-0.2 -4,-0.5 -3,-0.0 -0.315 78.9-136.0 -61.0 133.8 34.6 45.1 30.0 655 263 B T > - 0 0 69 1,-0.1 4,-2.8 -2,-0.1 5,-0.3 -0.574 19.7-114.9 -91.3 153.6 31.5 43.5 28.5 656 264 B S H > S+ 0 0 100 1,-0.2 4,-1.4 -2,-0.2 -1,-0.1 0.777 116.4 59.7 -55.0 -27.2 31.3 40.0 27.1 657 265 B A H > S+ 0 0 62 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.974 108.7 38.8 -67.2 -55.7 30.6 41.7 23.8 658 266 B Q H > S+ 0 0 29 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.891 116.0 53.5 -61.5 -39.3 33.8 43.6 23.6 659 267 B S H X S+ 0 0 50 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.832 106.0 55.6 -62.8 -31.5 35.6 40.6 25.0 660 268 B N H X S+ 0 0 93 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.784 104.9 50.6 -72.0 -30.5 34.1 38.6 22.2 661 269 B D H X S+ 0 0 55 -4,-1.2 4,-2.5 -3,-0.4 5,-0.3 0.778 103.8 58.3 -79.9 -27.1 35.4 40.9 19.5 662 270 B I H X S+ 0 0 11 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.977 115.2 37.4 -61.5 -53.4 38.9 40.7 20.9 663 271 B Y H X S+ 0 0 68 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.945 117.0 52.1 -60.4 -53.9 38.7 36.9 20.4 664 272 B T H X S+ 0 0 73 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.925 115.4 38.8 -48.3 -59.7 36.8 37.2 17.1 665 273 B N H X S+ 0 0 63 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.844 115.2 53.1 -65.0 -38.1 39.2 39.6 15.4 666 274 B L H X S+ 0 0 6 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.948 108.6 47.9 -66.0 -49.3 42.3 38.0 16.8 667 275 B L H X S+ 0 0 23 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.931 112.2 50.7 -56.5 -46.5 41.5 34.4 15.6 668 276 B A H X S+ 0 0 54 -4,-1.9 4,-1.9 -5,-0.3 3,-0.4 0.949 110.1 50.2 -56.1 -48.5 40.7 35.8 12.2 669 277 B D H X S+ 0 0 37 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.901 110.9 49.0 -55.7 -44.3 44.0 37.6 12.2 670 278 B Y H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.766 107.9 54.1 -68.7 -26.5 45.8 34.4 13.1 671 279 B K H X S+ 0 0 107 -4,-2.0 4,-1.2 -3,-0.4 -1,-0.2 0.833 107.4 51.1 -75.0 -31.8 44.0 32.5 10.4 672 280 B K H X S+ 0 0 117 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.889 109.4 50.1 -69.5 -39.1 45.2 35.0 7.9 673 281 B I H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.853 105.8 56.6 -66.5 -35.5 48.8 34.6 9.2 674 282 B A H X S+ 0 0 2 -4,-1.5 4,-1.2 1,-0.2 34,-0.5 0.834 109.5 46.6 -65.1 -32.6 48.4 30.8 8.8 675 283 B S H X S+ 0 0 61 -4,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.867 112.0 48.9 -76.3 -39.9 47.5 31.4 5.1 676 284 B K H >< S+ 0 0 9 -4,-2.1 3,-0.8 1,-0.2 4,-0.4 0.938 110.0 52.2 -64.7 -45.5 50.4 33.8 4.5 677 285 B L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.860 102.3 59.2 -58.6 -40.0 52.9 31.4 6.2 678 286 B S H 3< S+ 0 0 15 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.830 106.3 48.8 -60.8 -32.0 51.7 28.5 4.0 679 287 B K T << S+ 0 0 118 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.3 0.445 82.0 119.5 -88.7 -1.7 52.7 30.4 0.8 680 288 B V < - 0 0 7 -3,-1.3 2,-0.4 -4,-0.4 -156,-0.3 -0.486 54.9-142.9 -70.8 128.0 56.2 31.4 2.0 681 289 B Q - 0 0 147 -158,-1.9 2,-0.3 -2,-0.3 -156,-0.3 -0.747 12.4-119.9 -97.9 138.9 59.0 30.2 -0.2 682 290 B V - 0 0 41 -2,-0.4 -1,-0.0 1,-0.2 -159,-0.0 -0.562 24.1-179.8 -74.3 126.2 62.4 29.0 1.0 683 291 B S S S- 0 0 102 1,-0.5 -1,-0.2 -2,-0.3 3,-0.0 0.530 83.8 -1.6 -99.8 -10.0 65.3 31.0 -0.4 684 292 B N S > S- 0 0 64 -543,-0.0 3,-2.6 -542,-0.0 -1,-0.5 -0.766 73.8-119.1-177.3 126.0 67.7 28.7 1.6 685 293 B P G > S+ 0 0 4 0, 0.0 3,-2.1 0, 0.0 -541,-0.1 0.755 105.5 80.7 -44.5 -26.7 66.8 25.8 4.0 686 294 B L G 3 S+ 0 0 28 1,-0.3 -388,-0.2 2,-0.1 4,-0.1 0.790 87.6 52.8 -52.4 -32.4 68.6 27.9 6.6 687 295 B L G X S+ 0 0 22 -3,-2.6 3,-1.2 1,-0.2 4,-0.5 0.444 81.5 93.1 -89.1 2.9 65.5 30.1 7.1 688 296 B N T X> S+ 0 0 50 -3,-2.1 3,-1.3 1,-0.3 4,-1.1 0.822 73.9 65.0 -63.0 -36.4 63.1 27.1 7.7 689 297 B P H 3> S+ 0 0 17 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.746 93.1 65.8 -61.4 -17.6 63.4 27.2 11.5 690 298 B Y H <> S+ 0 0 10 -3,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.839 94.6 55.7 -71.6 -32.5 61.8 30.6 11.2 691 299 B K H <> S+ 0 0 37 -3,-1.3 4,-1.6 -4,-0.5 -1,-0.2 0.876 105.6 53.2 -65.4 -35.7 58.6 29.0 10.0 692 300 B D H X S+ 0 0 56 -4,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.840 100.7 59.7 -67.8 -33.7 58.6 26.9 13.2 693 301 B V H X S+ 0 0 38 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.869 112.3 39.6 -60.5 -37.9 58.9 30.0 15.4 694 302 B F H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.708 109.9 58.0 -85.2 -24.0 55.6 31.2 13.9 695 303 B E H X>S+ 0 0 46 -4,-1.6 5,-2.3 2,-0.2 4,-0.6 0.949 113.6 42.0 -67.7 -46.9 54.0 27.8 13.9 696 304 B A H ><5S+ 0 0 77 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 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384 B R G X < + 0 0 60 -3,-2.3 3,-1.3 -5,-1.3 -4,-0.2 0.791 69.1 65.5 -57.5 -31.4 55.4 48.3 55.5 777 385 B G G 3 S+ 0 0 0 -6,-1.5 -1,-0.3 1,-0.3 9,-0.2 0.793 100.4 49.7 -64.3 -27.8 58.4 48.7 53.2 778 386 B Q G < S+ 0 0 0 -3,-1.4 -174,-2.6 -7,-0.3 2,-0.6 0.398 84.3 113.2 -90.6 1.3 56.3 50.5 50.6 779 387 B N B X> -B 603 0L 11 -3,-1.3 4,-1.7 -4,-0.3 3,-0.7 -0.662 60.1-152.9 -79.7 118.5 54.9 52.8 53.2 780 388 B A T 34 S+ 0 0 9 -178,-2.5 -1,-0.2 -2,-0.6 -177,-0.1 0.508 95.3 43.1 -67.9 -3.1 56.1 56.3 52.6 781 389 B N T 34 S+ 0 0 107 -179,-0.3 -1,-0.3 -5,-0.1 -3,-0.1 -0.468 116.8 38.4-141.0 64.9 55.7 57.0 56.3 782 390 B L T <4 S+ 0 0 110 -3,-0.7 -2,-0.2 -5,-0.1 -5,-0.1 0.021 132.7 28.1-176.3 -29.2 57.1 53.9 58.1 783 391 B N >< + 0 0 24 -4,-1.7 3,-1.9 -7,-0.1 4,-0.1 -0.435 69.5 157.3-141.3 53.9 59.9 53.5 55.7 784 392 B P G > + 0 0 84 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 0.548 59.6 88.0 -61.6 -3.5 60.4 57.1 54.5 785 393 B R G 3 S+ 0 0 172 1,-0.2 -33,-0.1 -26,-0.0 -5,-0.1 0.815 72.5 69.8 -64.1 -31.1 63.9 56.0 53.6 786 394 B I G < S+ 0 0 1 -3,-1.9 -34,-1.8 -7,-0.2 2,-0.3 0.582 94.7 63.9 -65.7 -11.0 62.7 54.9 50.1 787 395 B I B < S-D 751 0N 27 -3,-1.3 -36,-0.2 -36,-0.3 -34,-0.1 -0.857 85.8-113.9-116.5 152.3 62.2 58.5 49.1 788 396 B T - 0 0 60 -38,-1.9 -38,-0.2 -2,-0.3 2,-0.1 -0.547 31.9-118.3 -84.4 148.0 64.7 61.3 48.6 789 397 B P - 0 0 124 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.413 11.9-141.7 -84.1 160.7 64.7 64.5 50.8 790 398 B I - 0 0 117 -2,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.635 22.5-123.4-107.5 170.6 64.2 68.1 49.9 791 399 B T - 0 0 103 -2,-0.2 2,-1.8 1,-0.1 -1,-0.0 0.364 22.2-123.3-108.6 8.5 66.3 70.8 51.7 792 400 B G S > S+ 0 0 35 1,-0.2 4,-2.5 4,-0.0 5,-0.1 -0.159 113.3 63.7 81.6 -51.2 64.1 73.3 53.4 793 401 B R H > S+ 0 0 222 -2,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.903 109.1 39.2 -69.8 -42.8 65.9 76.0 51.3 794 402 B G H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.773 115.9 54.1 -75.3 -26.7 64.5 74.3 48.2 795 403 B L H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.855 102.7 54.6 -75.0 -38.4 61.2 73.8 50.1 796 404 B V H X S+ 0 0 80 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.909 105.9 54.6 -62.3 -39.7 60.9 77.5 51.0 797 405 B K H >< S+ 0 0 143 -4,-1.3 3,-1.4 1,-0.2 -2,-0.2 0.963 105.3 51.9 -56.4 -51.4 61.2 78.2 47.3 798 406 B K H 3< S+ 0 0 170 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.900 101.7 64.0 -49.5 -45.8 58.2 75.8 46.6 799 407 B I H 3< + 0 0 98 -4,-2.0 2,-3.1 1,-0.2 -1,-0.3 0.743 68.8 101.5 -52.2 -34.0 56.2 77.6 49.2 800 408 B I << 0 0 117 -3,-1.4 -1,-0.2 -4,-1.0 -3,-0.0 -0.271 360.0 360.0 -57.8 73.0 56.2 80.9 47.2 801 409 B R 0 0 246 -2,-3.1 -1,-0.3 0, 0.0 -2,-0.1 0.997 360.0 360.0 65.3 360.0 52.6 80.2 46.0