==== 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 05-MAY-05 1ZL6 . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN TYPE E; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR R.AGARWAL,T.BINZ,S.SWAMINATHAN . 787 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 11.6 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 . 13 1.7 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 . 0 0.0 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 . 44 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 26.4 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 0 1 0 3 2 1 1 3 1 0 0 0 2 0 0 2 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 8 2 8 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 . 2 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 39 0, 0.0 2,-0.3 0, 0.0 103,-0.1 0.000 360.0 360.0 360.0 156.3 54.4 13.9 16.5 2 2 A K - 0 0 142 690,-0.1 2,-0.5 691,-0.0 34,-0.3 -0.651 360.0-142.4 -84.0 135.9 51.7 13.9 13.9 3 3 A I - 0 0 24 -2,-0.3 2,-0.5 32,-0.1 32,-0.2 -0.880 8.9-143.0-101.6 126.6 52.0 11.1 11.2 4 4 A N - 0 0 23 30,-3.5 2,-0.5 -2,-0.5 689,-0.0 -0.768 10.3-151.9 -89.1 129.7 51.0 12.1 7.7 5 5 A S - 0 0 78 -2,-0.5 2,-0.3 83,-0.0 79,-0.1 -0.896 20.8-179.6-104.4 123.5 49.2 9.3 5.7 6 6 A F - 0 0 15 -2,-0.5 2,-0.4 77,-0.2 81,-0.1 -0.750 29.4-135.9-119.8 163.0 49.7 9.4 1.9 7 7 A N > - 0 0 74 -2,-0.3 3,-2.1 1,-0.1 73,-0.1 -0.909 33.1-121.7-108.0 142.3 48.7 7.5 -1.2 8 8 A Y T 3 S+ 0 0 18 -2,-0.4 -1,-0.1 1,-0.3 69,-0.1 0.873 112.5 50.9 -56.0 -36.6 51.6 7.0 -3.6 9 9 A N T 3 S+ 0 0 122 2,-0.0 -1,-0.3 -3,-0.0 3,-0.1 0.446 74.6 128.7 -82.1 0.8 49.8 8.8 -6.3 10 10 A D S < S- 0 0 38 -3,-2.1 3,-0.1 1,-0.1 -4,-0.0 -0.352 74.1 -99.0 -52.5 132.8 48.9 11.9 -4.2 11 11 A P - 0 0 105 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.224 36.1 -98.5 -60.4 148.0 50.1 14.7 -6.4 12 12 A V + 0 0 31 1,-0.1 6,-0.2 -3,-0.1 123,-0.0 -0.477 39.8 179.4 -62.5 130.3 53.5 16.3 -5.8 13 13 A N - 0 0 28 4,-1.3 5,-0.2 -2,-0.2 -1,-0.1 0.335 38.8-124.2-118.3 3.9 52.8 19.5 -3.8 14 14 A D S S+ 0 0 49 3,-2.0 4,-0.2 1,-0.2 -2,-0.1 0.509 97.7 65.6 65.8 5.9 56.5 20.7 -3.4 15 15 A R S S- 0 0 109 2,-0.3 -1,-0.2 680,-0.1 681,-0.2 0.664 121.9 -1.6-116.2 -72.2 56.1 20.8 0.3 16 16 A T S S+ 0 0 0 679,-0.4 17,-2.7 1,-0.2 2,-0.5 0.544 133.2 52.1-100.1 -11.7 55.5 17.4 1.8 17 17 A I E S+A 32 0A 3 15,-0.2 -3,-2.0 678,-0.2 -4,-1.3 -0.963 75.3 109.0-130.5 116.4 55.6 15.5 -1.5 18 18 A L E -A 31 0A 4 13,-1.5 13,-4.2 -2,-0.5 2,-0.4 -0.887 62.5 -65.9-162.4-169.0 58.4 16.0 -3.9 19 19 A Y E -AB 30 134A 70 115,-1.9 115,-1.6 11,-0.3 2,-0.4 -0.784 38.8-171.8-102.6 139.0 61.5 14.4 -5.5 20 20 A I E -AB 29 133A 0 9,-3.0 9,-3.6 -2,-0.4 113,-0.2 -0.963 17.0-159.5-128.6 145.2 64.6 13.4 -3.8 21 21 A K E - B 0 132A 50 111,-2.3 111,-1.1 -2,-0.4 7,-0.2 -0.872 26.2-147.4-120.8 91.8 68.0 12.2 -5.0 22 22 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 2,-0.3 -0.155 33.1 -86.8 -56.5 154.8 69.6 10.5 -2.0 23 23 A G T 3 S+ 0 0 38 1,-0.3 3,-0.1 104,-0.2 24,-0.0 -0.527 120.5 33.3 -66.5 123.9 73.4 10.7 -1.7 24 24 A G T 3 S+ 0 0 44 1,-0.4 24,-0.5 -2,-0.3 2,-0.3 0.415 100.4 109.4 107.6 4.8 74.8 7.8 -3.8 25 25 A C < - 0 0 13 -3,-1.7 -1,-0.4 22,-0.1 -4,-0.1 -0.792 58.0-153.0-115.5 157.6 72.0 7.9 -6.4 26 26 A Q S S+ 0 0 158 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.430 76.6 41.3-105.4 -4.4 71.8 8.9 -10.0 27 27 A E S S- 0 0 113 -5,-0.1 2,-0.3 -7,-0.1 -2,-0.0 -0.943 78.7-103.4-143.8 166.4 68.1 9.9 -10.1 28 28 A F - 0 0 30 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.3 -0.676 31.8-157.7 -88.6 140.2 65.3 11.7 -8.3 29 29 A Y E -A 20 0A 18 -9,-3.6 -9,-3.0 -2,-0.3 2,-0.2 -0.947 26.8-107.0-121.7 140.2 62.6 9.7 -6.5 30 30 A K E -A 19 0A 24 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.3 -0.458 49.7-167.0 -62.1 130.0 59.1 10.7 -5.5 31 31 A S E -A 18 0A 0 -13,-4.2 -13,-1.5 -2,-0.2 2,-0.4 -0.903 18.9-147.6-128.5 155.7 59.2 11.2 -1.8 32 32 A F E -AC 17 40A 0 8,-2.4 8,-2.8 -2,-0.3 2,-1.8 -0.974 13.5-141.3-127.7 125.4 56.8 11.6 1.2 33 33 A N E + 0 0 16 -17,-2.7 6,-0.2 -2,-0.4 -29,-0.1 -0.529 25.1 177.3 -83.4 76.6 57.4 13.6 4.4 34 34 A I E - 0 0 2 -2,-1.8 -30,-3.5 1,-0.1 2,-0.3 0.795 65.0 -15.6 -51.7 -37.5 55.7 11.2 6.8 35 35 A M E > S- C 0 38A 3 3,-1.2 3,-3.5 -32,-0.2 -32,-0.1 -0.970 105.0 -38.8-162.0 165.1 56.5 13.4 9.9 36 36 A K T 3 S- 0 0 93 -34,-0.3 3,-0.1 1,-0.3 -2,-0.1 0.030 125.3 -15.2 -35.1 110.1 58.8 16.3 10.9 37 37 A N T 3 S+ 0 0 28 1,-0.2 109,-2.3 109,-0.1 110,-2.1 0.611 111.7 112.8 65.9 13.0 62.2 15.8 9.2 38 38 A I E < -Cd 35 147A 0 -3,-3.5 -3,-1.2 108,-0.2 2,-0.4 -0.968 44.9-173.5-117.4 131.7 61.4 12.2 8.3 39 39 A W E - d 0 148A 7 108,-2.2 110,-3.1 -2,-0.5 2,-0.5 -0.957 13.9-150.9-127.1 145.0 61.0 11.2 4.7 40 40 A I E -Cd 32 149A 1 -8,-2.8 -8,-2.4 -2,-0.4 110,-0.2 -0.954 6.0-170.7-115.0 129.0 59.9 7.9 3.0 41 41 A I E - d 0 150A 0 108,-3.1 2,-2.3 -2,-0.5 110,-0.7 -0.894 15.5-150.4-119.3 98.0 61.2 7.0 -0.5 42 42 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.439 61.6 99.1 -72.3 79.6 59.2 3.9 -1.7 43 43 A E E S- 0 0 21 -2,-2.3 108,-2.8 -14,-0.1 -2,-0.1 -0.958 82.9 -85.5-155.3 159.7 62.0 2.6 -3.8 44 44 A R E - d 0 151A 8 29,-0.4 2,-1.2 -2,-0.3 109,-0.2 -0.444 48.2-109.7 -70.6 147.2 64.7 -0.1 -3.5 45 45 A N + 0 0 11 107,-1.3 -1,-0.1 106,-0.7 139,-0.0 -0.676 47.3 165.0 -81.6 98.6 67.8 1.1 -1.8 46 46 A V > + 0 0 39 -2,-1.2 3,-1.6 107,-0.1 -1,-0.2 0.578 26.0 132.7 -90.3 -11.3 70.4 1.2 -4.7 47 47 A I T 3 S+ 0 0 51 1,-0.3 -22,-0.1 -3,-0.1 3,-0.1 -0.097 81.8 4.6 -42.2 132.0 72.9 3.3 -2.8 48 48 A G T 3 S+ 0 0 80 -24,-0.5 -1,-0.3 1,-0.2 2,-0.2 0.803 115.9 102.2 58.4 33.6 76.3 1.8 -3.2 49 49 A T < - 0 0 40 -3,-1.6 -1,-0.2 -25,-0.3 -3,-0.1 -0.650 60.1-134.6-131.9-170.9 75.1 -0.9 -5.6 50 50 A T >> - 0 0 75 -2,-0.2 3,-1.6 -3,-0.1 4,-0.8 -0.984 35.4-108.4-148.5 140.1 74.9 -2.0 -9.2 51 51 A P G >4 S+ 0 0 104 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.786 121.1 57.3 -39.9 -33.4 71.9 -3.4 -11.2 52 52 A Q G >4 S+ 0 0 134 1,-0.2 3,-2.4 2,-0.2 -3,-0.0 0.905 92.8 65.5 -66.6 -42.8 73.7 -6.7 -11.1 53 53 A D G <4 S+ 0 0 81 -3,-1.6 -1,-0.2 1,-0.3 -4,-0.0 0.726 97.7 57.1 -52.8 -24.3 73.9 -6.8 -7.3 54 54 A F G << S+ 0 0 15 -4,-0.8 -1,-0.3 -3,-0.7 15,-0.2 0.638 89.1 94.4 -82.6 -16.3 70.1 -7.1 -7.3 55 55 A H S < S- 0 0 98 -3,-2.4 14,-0.1 -4,-0.3 -3,-0.0 -0.519 92.7 -86.6 -79.8 145.2 70.1 -10.2 -9.4 56 56 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.264 23.2-159.2 -53.9 118.3 70.0 -13.6 -7.8 57 57 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.908 88.9 3.9 -62.1 -37.8 73.4 -15.1 -6.7 58 58 A T - 0 0 50 1,-0.1 10,-0.1 3,-0.0 0, 0.0 -0.888 59.8-160.0-139.3 165.6 71.5 -18.4 -6.8 59 59 A S S > S+ 0 0 96 -2,-0.3 3,-1.8 -3,-0.1 -1,-0.1 0.738 87.7 46.2-113.6 -58.2 68.0 -19.5 -7.8 60 60 A L T 3 S+ 0 0 124 1,-0.3 332,-0.3 331,-0.1 334,-0.3 0.825 119.2 40.8 -57.9 -38.5 67.3 -22.8 -6.1 61 61 A K T > S+ 0 0 134 330,-0.1 3,-1.5 331,-0.1 2,-0.6 0.094 84.0 136.5 -98.6 23.0 68.7 -21.9 -2.7 62 62 A N T < + 0 0 31 -3,-1.8 5,-0.2 1,-0.2 -3,-0.1 -0.602 69.3 25.5 -73.9 115.4 67.0 -18.4 -3.0 63 63 A G T 3 S+ 0 0 0 3,-2.3 -1,-0.2 -2,-0.6 4,-0.2 0.404 94.1 97.3 111.7 0.5 65.5 -17.7 0.4 64 64 A D S < S- 0 0 78 -3,-1.5 282,-0.3 2,-0.5 -2,-0.1 0.929 109.6 -7.4 -86.5 -50.9 67.6 -19.9 2.7 65 65 A S S S+ 0 0 92 1,-0.5 2,-0.3 -4,-0.5 -3,-0.1 0.604 142.3 9.2-115.5 -27.8 70.2 -17.4 4.0 66 66 A S - 0 0 28 -5,-0.4 -3,-2.3 91,-0.0 -1,-0.5 -0.977 68.5-137.7-150.3 153.9 69.2 -14.4 1.9 67 67 A Y - 0 0 32 -2,-0.3 89,-3.1 -4,-0.2 90,-0.4 -0.972 16.0-165.9-123.7 127.5 66.4 -13.6 -0.5 68 68 A Y B +H 155 0B 44 -2,-0.4 87,-0.1 87,-0.2 -13,-0.1 -0.891 20.4 152.7-115.9 142.2 66.7 -11.8 -3.9 69 69 A D > - 0 0 49 85,-0.7 3,-0.9 -2,-0.4 -14,-0.1 -0.649 18.4-171.9-166.1 100.8 64.1 -10.3 -6.1 70 70 A P T 3 S+ 0 0 31 0, 0.0 -15,-0.1 0, 0.0 -26,-0.1 0.525 88.5 62.3 -72.9 -7.2 65.1 -7.4 -8.5 71 71 A N T > S+ 0 0 110 -17,-0.1 3,-0.9 3,-0.0 4,-0.3 0.640 73.2 115.2 -92.9 -19.2 61.4 -7.0 -9.3 72 72 A Y T < S+ 0 0 20 -3,-0.9 -28,-0.1 1,-0.2 -3,-0.1 -0.326 87.3 4.3 -57.3 127.0 60.3 -6.1 -5.7 73 73 A L T 3 S+ 0 0 2 -30,-0.1 -29,-0.4 -2,-0.1 -1,-0.2 0.902 90.5 123.1 64.9 45.8 58.9 -2.6 -5.6 74 74 A Q < + 0 0 97 -3,-0.9 2,-0.2 -31,-0.1 -2,-0.1 0.805 56.1 67.2-101.7 -39.4 59.1 -1.8 -9.3 75 75 A S S >> S- 0 0 52 -4,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.480 85.1-120.2 -85.1 153.4 55.5 -0.8 -10.0 76 76 A D H 3> S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.851 115.1 59.4 -54.1 -35.9 53.7 2.2 -8.7 77 77 A E H 3> S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.871 104.3 47.4 -63.2 -40.2 51.3 -0.2 -7.1 78 78 A E H <> S+ 0 0 61 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.864 109.7 55.0 -68.6 -37.2 54.0 -1.9 -5.0 79 79 A K H X S+ 0 0 20 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.888 106.6 49.7 -63.6 -41.4 55.3 1.5 -4.0 80 80 A D H X S+ 0 0 25 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.886 111.1 50.7 -65.1 -39.2 51.9 2.5 -2.7 81 81 A R H X S+ 0 0 69 -4,-1.6 4,-2.1 2,-0.2 3,-0.4 0.965 111.4 46.7 -62.1 -50.7 51.8 -0.8 -0.8 82 82 A F H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.3 5,-0.2 0.937 111.3 52.5 -55.5 -49.2 55.2 -0.2 0.8 83 83 A L H X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 -1,-0.3 0.810 110.1 48.7 -57.7 -33.0 54.2 3.3 1.7 84 84 A K H X S+ 0 0 66 -4,-1.7 4,-1.8 -3,-0.4 -1,-0.2 0.818 109.6 51.1 -79.9 -30.4 51.1 2.0 3.4 85 85 A I H X S+ 0 0 1 -4,-2.1 4,-2.0 -3,-0.2 -2,-0.2 0.928 112.1 46.4 -70.8 -43.8 52.9 -0.6 5.4 86 86 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.903 111.4 50.7 -65.1 -42.7 55.5 1.9 6.7 87 87 A T H X S+ 0 0 9 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.936 109.2 52.9 -60.3 -44.0 52.9 4.5 7.6 88 88 A K H X S+ 0 0 20 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.899 110.3 47.4 -59.4 -39.9 51.0 1.7 9.5 89 89 A I H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.901 109.9 51.8 -69.7 -39.1 54.2 0.9 11.4 90 90 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.884 109.9 50.2 -63.0 -36.9 54.9 4.5 12.2 91 91 A N H X S+ 0 0 49 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.843 110.1 50.7 -69.3 -31.9 51.3 4.8 13.5 92 92 A R H >< S+ 0 0 5 -4,-1.6 3,-0.9 -5,-0.2 4,-0.3 0.948 113.2 44.7 -67.7 -47.7 51.9 1.7 15.6 93 93 A I H >< S+ 0 0 0 -4,-2.8 3,-1.0 1,-0.2 7,-0.3 0.884 115.6 47.9 -61.1 -40.0 55.1 3.2 17.0 94 94 A N H 3< S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.510 96.8 72.7 -81.3 -5.6 53.3 6.5 17.5 95 95 A N T << S+ 0 0 89 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.2 0.517 92.3 65.9 -85.3 -6.3 50.4 4.8 19.2 96 96 A N S <> S- 0 0 35 -3,-1.0 4,-3.2 -4,-0.3 5,-0.2 -0.963 82.6-133.4-119.7 133.4 52.6 4.2 22.3 97 97 A L H > S+ 0 0 154 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 0.868 107.6 49.0 -52.0 -43.2 53.9 7.0 24.4 98 98 A S H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 113.1 47.0 -65.0 -42.0 57.5 5.7 24.5 99 99 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.921 109.7 54.6 -64.1 -42.6 57.5 5.2 20.7 100 100 A G H X S+ 0 0 11 -4,-3.2 4,-2.1 -7,-0.3 -1,-0.2 0.844 106.2 52.0 -58.9 -34.6 56.0 8.7 20.4 101 101 A I H X S+ 0 0 88 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.915 107.6 52.3 -68.0 -43.9 59.0 10.0 22.5 102 102 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.954 110.6 46.8 -56.1 -52.1 61.4 8.3 20.2 103 103 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.911 110.8 53.0 -58.8 -42.3 59.9 9.9 17.0 104 104 A E H X S+ 0 0 70 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.911 109.5 48.8 -61.0 -41.5 59.9 13.3 18.7 105 105 A E H >X S+ 0 0 29 -4,-2.3 3,-1.3 1,-0.2 4,-0.7 0.927 108.3 52.6 -64.2 -47.2 63.6 13.0 19.5 106 106 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.898 106.4 55.4 -54.5 -42.2 64.6 12.0 16.0 107 107 A S H 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.656 111.7 42.4 -68.4 -17.2 62.7 15.0 14.6 108 108 A K H << S+ 0 0 114 -3,-1.3 2,-0.8 -4,-0.6 -1,-0.3 0.415 89.7 93.8-107.7 0.7 64.7 17.4 16.8 109 109 A A << + 0 0 0 -3,-1.0 -1,-0.1 -4,-0.7 -2,-0.1 -0.264 57.2 174.9 -89.2 48.6 68.1 15.7 16.2 110 110 A N - 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0 0 66 1,-0.2 3,-1.1 2,-0.1 7,-0.3 0.138 55.5-160.6 -25.4 107.4 69.6 55.2 45.1 744 362 B L T 3 S+ 0 0 4 -3,-0.3 6,-0.2 1,-0.3 -1,-0.2 0.776 86.6 65.3 -70.3 -29.1 68.1 52.0 43.7 745 363 B L T 3 S+ 0 0 58 4,-0.1 2,-0.9 6,-0.0 -1,-0.3 0.484 78.1 108.9 -72.6 -1.0 71.4 50.2 43.5 746 364 B N X> - 0 0 56 -3,-1.1 4,-3.2 1,-0.2 3,-1.3 -0.698 56.3-164.2 -80.9 106.2 71.4 50.4 47.3 747 365 B D T 34 S+ 0 0 105 -2,-0.9 -1,-0.2 1,-0.3 8,-0.0 0.828 84.7 62.5 -59.8 -37.2 70.7 46.9 48.6 748 366 B S T 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.670 119.3 28.4 -65.0 -14.7 69.8 48.0 52.2 749 367 B I T <4 S+ 0 0 28 -3,-1.3 2,-0.4 1,-0.4 -2,-0.2 0.789 134.3 18.2-107.7 -55.1 66.9 49.9 50.6 750 368 B Y < + 0 0 3 -4,-3.2 -1,-0.4 -7,-0.3 2,-0.3 -0.983 68.9 171.7-126.2 128.3 66.0 47.9 47.5 751 369 B N B > -C 755 0M 25 4,-1.5 4,-1.5 -2,-0.4 -5,-0.0 -0.886 39.5-112.7-132.2 164.4 67.1 44.4 46.7 752 370 B I T 4 S+ 0 0 54 -2,-0.3 -1,-0.1 1,-0.2 -272,-0.0 0.985 107.5 46.7 -58.1 -66.8 66.3 41.7 44.1 753 371 B S T 4 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.1 5,-0.0 0.798 134.3 8.3 -49.6 -42.7 64.4 39.1 46.2 754 372 B E T >4 S- 0 0 53 1,-0.3 2,-0.6 2,-0.1 3,-0.6 0.595 80.7-157.9-118.9 -14.6 62.0 41.4 48.0 755 373 B G B 3< S-C 751 0M 0 -4,-1.5 -4,-1.5 1,-0.2 -1,-0.3 -0.634 75.5 -11.7 74.3-116.6 62.5 44.8 46.5 756 374 B Y T 3 S+ 0 0 2 -2,-0.6 2,-2.4 -6,-0.2 -1,-0.2 0.949 122.3 73.8 -81.6 -56.6 61.2 47.3 49.1 757 375 B N S < S+ 0 0 6 -3,-0.6 2,-0.4 -32,-0.2 5,-0.2 -0.363 72.2 178.0 -63.1 80.2 59.5 45.1 51.7 758 376 B I > - 0 0 23 -2,-2.4 3,-3.2 -9,-0.2 5,-0.1 -0.761 47.1 -54.8 -96.1 130.4 62.7 43.7 53.1 759 377 B N G > S+ 0 0 118 -2,-0.4 3,-2.3 1,-0.3 4,-0.4 -0.195 136.6 17.6 47.5-117.3 62.7 41.3 56.1 760 378 B N G > S+ 0 0 122 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.693 124.0 66.2 -54.3 -20.2 60.8 42.9 58.9 761 379 B L G < >S+ 0 0 36 -3,-3.2 6,-1.6 1,-0.2 5,-1.4 0.659 75.5 80.1 -79.6 -17.7 59.4 45.2 56.3 762 380 B K G X 5 + 0 0 124 -3,-2.3 3,-2.5 -5,-0.2 -1,-0.2 0.851 68.4 112.1 -57.6 -30.8 57.4 42.5 54.4 763 381 B V G X 5S- 0 0 61 -3,-0.6 3,-2.0 -4,-0.4 4,-0.1 -0.189 104.5 -24.3 -48.1 120.4 54.9 43.0 57.1 764 382 B N G 3 5S- 0 0 122 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.782 119.6 -65.2 38.3 38.0 51.7 44.6 55.6 765 383 B F G X 5S+ 0 0 60 -3,-2.5 3,-1.3 1,-0.1 4,-0.4 0.899 82.9 163.8 55.3 46.8 54.0 45.9 52.9 766 384 B R G X < + 0 0 72 -3,-2.0 3,-1.2 -5,-1.4 -4,-0.2 0.835 65.6 63.8 -62.3 -35.3 55.9 48.1 55.4 767 385 B G G 3 S+ 0 0 0 -6,-1.6 -1,-0.3 1,-0.3 -5,-0.1 0.621 102.7 48.4 -67.5 -13.0 58.8 48.6 53.1 768 386 B Q G < S+ 0 0 1 -3,-1.3 -174,-2.2 -7,-0.3 2,-0.7 0.467 80.7 112.7-103.7 -5.8 56.6 50.5 50.5 769 387 B N B <> -Z 593 0J 4 -3,-1.2 4,-1.2 -4,-0.4 -176,-0.3 -0.597 55.4-158.0 -72.5 112.1 55.0 52.8 53.1 770 388 B A T 4 S+ 0 0 5 -178,-2.5 7,-0.2 -2,-0.7 -1,-0.2 0.859 93.5 38.2 -57.9 -37.6 56.3 56.2 52.2 771 389 B N T 4 S+ 0 0 89 -179,-0.7 -1,-0.2 1,-0.2 -178,-0.1 0.924 117.9 45.0 -82.2 -48.2 55.5 57.4 55.7 772 390 B L T 4 S+ 0 0 116 -180,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.536 129.7 28.7 -75.3 -2.1 56.5 54.3 57.7 773 391 B N >< + 0 0 25 -4,-1.2 3,-1.1 -5,-0.1 -1,-0.3 -0.454 63.5 165.3-157.5 74.1 59.7 54.0 55.6 774 392 B P G > + 0 0 81 0, 0.0 3,-1.4 0, 0.0 -4,-0.1 0.652 58.9 92.6 -66.1 -19.3 61.0 57.4 54.3 775 393 B R G 3 S+ 0 0 203 1,-0.3 -33,-0.1 3,-0.0 -5,-0.1 0.756 79.9 61.3 -48.4 -27.2 64.4 56.0 53.4 776 394 B I G < S+ 0 0 0 -3,-1.1 -34,-3.8 -6,-0.1 -1,-0.3 0.809 94.0 63.8 -76.0 -31.7 63.0 55.3 49.8 777 395 B I B < S-B 741 0L 35 -3,-1.4 -36,-0.2 -36,-0.2 -183,-0.0 -0.651 85.6-117.0 -93.1 152.7 62.2 58.9 48.7 778 396 B T - 0 0 56 -38,-1.8 -38,-0.2 -2,-0.2 2,-0.1 -0.680 34.4-114.9 -87.6 143.1 64.8 61.6 48.3 779 397 B P - 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.347 12.1-132.5 -78.4 155.3 64.6 64.7 50.5 780 398 B I - 0 0 114 -2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.683 25.3-123.5 -97.0 157.3 63.9 68.3 49.6 781 399 B T - 0 0 111 -2,-0.3 2,-1.5 1,-0.1 -1,-0.0 0.291 26.5-118.6 -93.7 10.4 66.3 70.9 51.2 782 400 B G S > S+ 0 0 39 1,-0.2 4,-2.4 4,-0.0 5,-0.1 -0.252 113.4 58.2 86.1 -55.6 64.1 73.4 53.1 783 401 B R H > S+ 0 0 220 -2,-1.5 4,-2.9 2,-0.2 5,-0.3 0.961 106.4 47.4 -69.7 -53.8 65.4 76.2 50.9 784 402 B G H > S+ 0 0 31 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.772 114.2 49.0 -57.4 -27.5 64.1 74.4 47.8 785 403 B L H >> S+ 0 0 76 2,-0.2 4,-1.5 1,-0.1 3,-0.7 0.935 111.7 46.4 -77.6 -48.5 60.8 73.9 49.7 786 404 B V H 3X S+ 0 0 82 -4,-2.4 4,-0.7 1,-0.3 -2,-0.2 0.856 108.0 56.7 -62.0 -37.0 60.4 77.5 50.8 787 405 B K H 3< S+ 0 0 171 -4,-2.9 -1,-0.3 1,-0.2 3,-0.2 0.788 107.9 50.4 -66.0 -24.5 61.2 78.8 47.4 788 406 B K H << S+ 0 0 159 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.823 95.9 67.1 -81.7 -33.3 58.3 76.7 46.1 789 407 B I H < S+ 0 0 98 -4,-1.5 2,-3.1 1,-0.2 -1,-0.2 0.736 75.0 94.1 -59.4 -22.7 55.8 77.9 48.6 790 408 B I < 0 0 116 -4,-0.7 -1,-0.2 1,-0.3 -3,-0.0 -0.401 360.0 360.0 -70.5 71.0 56.1 81.3 46.9 791 409 B R 0 0 252 -2,-3.1 -1,-0.3 0, 0.0 -2,-0.2 0.971 360.0 360.0 52.5 360.0 53.1 80.4 44.7