==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-OCT-04 1XTF . COMPND 2 MOLECULE: NEUROTOXIN BONT/A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR M.A.BREIDENBACH,A.T.BRUNGER . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 12.4 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 . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 70 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 0 0 2 2 0 0 2 2 2 0 0 2 0 0 2 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 6 2 8 8 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 2 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 2 A P 0 0 4 0, 0.0 94,-0.1 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0-158.6 14.3 -21.1 75.7 2 3 A F - 0 0 94 92,-0.1 2,-0.7 1,-0.1 93,-0.0 -0.205 360.0-141.3 -46.2 131.6 13.3 -24.6 76.4 3 4 A V - 0 0 5 1,-0.1 35,-0.1 88,-0.1 -1,-0.1 -0.924 12.2-164.5-105.4 108.8 10.5 -24.4 79.0 4 5 A N + 0 0 134 -2,-0.7 2,-0.3 33,-0.3 -1,-0.1 0.862 68.1 48.1 -65.7 -38.4 10.9 -27.2 81.5 5 6 A K S S- 0 0 105 32,-0.2 2,-0.7 0, 0.0 -1,-0.0 -0.814 81.8-119.6-110.3 149.1 7.5 -27.1 83.1 6 7 A Q - 0 0 157 -2,-0.3 2,-0.3 2,-0.0 82,-0.0 -0.734 33.9-155.7 -85.1 113.0 4.0 -26.9 81.5 7 8 A F - 0 0 13 -2,-0.7 2,-0.4 80,-0.1 84,-0.1 -0.685 10.6-166.7 -93.1 141.4 2.3 -23.7 82.7 8 9 A N > - 0 0 65 -2,-0.3 3,-1.0 1,-0.1 76,-0.1 -0.978 29.2-128.0-122.6 137.4 -1.5 -23.2 82.8 9 10 A Y T 3 S+ 0 0 14 -2,-0.4 -1,-0.1 1,-0.2 72,-0.1 0.792 110.8 56.1 -56.0 -25.3 -2.9 -19.7 83.3 10 11 A K T 3 S+ 0 0 142 70,-0.0 -1,-0.2 2,-0.0 -3,-0.0 0.762 77.0 117.1 -76.6 -32.8 -4.9 -21.2 86.2 11 12 A D S < S- 0 0 42 -3,-1.0 2,-0.1 1,-0.1 3,-0.1 0.022 74.2-101.4 -36.7 140.9 -1.9 -22.6 88.2 12 13 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.373 36.9 -95.5 -73.0 151.8 -1.6 -20.9 91.6 13 14 A V + 0 0 68 1,-0.1 6,-0.2 -2,-0.1 20,-0.0 -0.359 38.8 173.8 -63.7 140.0 1.0 -18.1 92.4 14 15 A N - 0 0 73 4,-2.7 5,-0.2 -3,-0.1 -1,-0.1 0.168 43.3-124.4-133.2 11.4 4.2 -19.4 94.0 15 16 A G S S+ 0 0 14 3,-1.2 4,-0.1 1,-0.2 -2,-0.1 0.379 97.1 72.5 60.7 -7.0 6.1 -16.2 94.0 16 17 A V S S- 0 0 89 2,-0.3 -1,-0.2 20,-0.0 3,-0.1 0.834 119.6 -10.2 -98.3 -81.2 8.9 -17.9 92.1 17 18 A D S S+ 0 0 20 1,-0.2 19,-2.7 18,-0.1 2,-0.3 0.305 134.1 49.2-106.6 7.9 7.9 -18.6 88.4 18 19 A I E S+A 35 0A 8 17,-0.2 -4,-2.7 2,-0.1 -3,-1.2 -0.894 78.4 122.9-146.0 112.1 4.2 -17.7 88.7 19 20 A A E -A 34 0A 0 15,-2.3 15,-3.7 -2,-0.3 2,-0.4 -0.967 59.2 -94.3-160.9 173.8 3.2 -14.4 90.3 20 21 A Y E +A 33 0A 92 117,-0.3 117,-3.0 -2,-0.3 2,-0.3 -0.834 49.4 175.4 -98.3 136.0 1.5 -11.1 90.2 21 22 A I E -AB 32 136A 0 11,-2.3 11,-1.7 -2,-0.4 2,-0.4 -0.901 28.1-139.0-140.1 167.1 3.8 -8.3 89.3 22 23 A K E - B 0 135A 38 113,-1.5 113,-2.3 -2,-0.3 8,-0.0 -0.988 26.2-124.0-129.1 135.6 4.0 -4.6 88.5 23 24 A I - 0 0 6 -2,-0.4 2,-1.3 111,-0.2 3,-0.4 -0.684 26.6-118.4 -82.6 127.8 6.0 -3.1 85.7 24 25 A P S S+ 0 0 18 0, 0.0 109,-0.1 0, 0.0 -1,-0.1 -0.498 78.3 101.3 -64.0 92.4 8.5 -0.4 86.9 25 26 A N S S- 0 0 56 -2,-1.3 3,-0.1 2,-0.3 26,-0.0 0.610 80.2 -56.8-142.5 -62.0 7.1 2.5 84.9 26 27 A A S S+ 0 0 73 -3,-0.4 25,-0.1 1,-0.4 24,-0.0 0.219 90.6 38.4-156.6 -78.0 4.8 5.4 86.0 27 28 A G S S- 0 0 54 23,-0.2 2,-0.7 1,-0.1 -1,-0.4 0.057 88.7 -84.3 -82.1-166.3 1.4 5.2 87.6 28 29 A Q - 0 0 193 -3,-0.1 -1,-0.1 -6,-0.0 -6,-0.0 -0.485 57.9-178.7-100.4 59.1 -0.1 2.9 90.2 29 30 A M - 0 0 27 -2,-0.7 3,-0.1 -6,-0.2 21,-0.0 -0.114 31.2-110.1 -55.2 155.8 -1.0 0.1 87.8 30 31 A Q - 0 0 159 1,-0.1 -1,-0.1 -8,-0.0 -9,-0.1 -0.743 42.5 -99.0 -88.9 140.4 -2.8 -2.9 89.3 31 32 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 0.023 36.7-155.2 -53.1 164.5 -0.6 -6.1 89.3 32 33 A V E -A 21 0A 10 -11,-1.7 -11,-2.3 -3,-0.1 2,-0.2 -0.984 24.8 -97.8-144.2 150.1 -1.1 -8.8 86.6 33 34 A K E -A 20 0A 16 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.3 -0.477 45.2-178.4 -73.0 131.4 -0.3 -12.5 86.6 34 35 A A E -A 19 0A 0 -15,-3.7 -15,-2.3 -2,-0.2 2,-0.5 -0.951 18.2-145.4-135.5 153.1 3.0 -13.4 85.0 35 36 A F E -AC 18 43A 0 8,-2.4 8,-2.2 -2,-0.3 2,-1.1 -0.970 8.5-146.5-124.2 126.5 4.9 -16.6 84.2 36 37 A K E + C 0 42A 50 -19,-2.7 6,-0.2 -2,-0.5 3,-0.1 -0.761 22.5 174.0 -89.9 101.6 8.6 -17.1 84.3 37 38 A I E - 0 0 6 4,-1.1 -33,-0.3 -2,-1.1 2,-0.3 0.569 65.7 -0.3 -86.9 -6.5 9.2 -19.6 81.5 38 39 A H E > S- C 0 41A 55 3,-1.0 3,-2.7 -35,-0.1 -1,-0.2 -0.940 101.7 -59.7-173.3 153.8 13.0 -19.6 81.7 39 40 A N T 3 S- 0 0 83 -2,-0.3 109,-0.1 1,-0.3 -2,-0.1 -0.143 123.3 -2.3 -43.5 127.6 15.8 -17.9 83.6 40 41 A K T 3 S+ 0 0 45 107,-0.2 110,-2.1 1,-0.1 109,-1.9 0.453 112.1 106.0 68.5 -0.5 15.4 -14.0 83.1 41 42 A I E < -Cd 38 150A 0 -3,-2.7 -4,-1.1 108,-0.2 -3,-1.0 -0.939 45.0-179.9-121.6 121.1 12.4 -14.5 80.7 42 43 A W E -Cd 36 151A 0 108,-2.9 110,-2.9 -2,-0.5 2,-0.4 -0.834 16.9-152.6-119.2 153.4 8.8 -13.7 81.6 43 44 A V E -Cd 35 152A 0 -8,-2.2 -8,-2.4 -2,-0.3 110,-0.2 -0.989 5.9-171.2-123.7 123.2 5.4 -13.9 79.8 44 45 A I E - d 0 153A 0 108,-3.1 2,-2.4 -2,-0.4 110,-1.0 -0.916 11.8-156.3-115.1 99.3 2.5 -11.5 80.8 45 46 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.443 58.3 101.8 -79.4 72.1 -0.6 -12.7 78.9 46 47 A E E S- 0 0 31 -2,-2.4 108,-1.9 -14,-0.1 2,-0.2 -0.921 81.5 -94.0-143.9 162.6 -2.3 -9.3 79.1 47 48 A R E - d 0 154A 15 30,-0.3 2,-1.2 -2,-0.3 109,-0.2 -0.594 48.1-109.7 -79.3 143.5 -2.9 -6.5 76.7 48 49 A D + 0 0 0 107,-1.1 109,-0.2 106,-0.7 9,-0.1 -0.604 65.6 134.8 -86.8 97.7 -0.2 -3.8 77.1 49 50 A T + 0 0 38 -2,-1.2 -1,-0.2 7,-0.1 6,-0.1 -0.001 69.8 63.0-120.6 22.6 -1.6 -0.7 78.6 50 51 A F S S+ 0 0 26 -21,-0.0 -23,-0.2 -24,-0.0 -2,-0.1 0.725 83.7 63.8-116.3 -41.8 1.3 -0.4 81.0 51 52 A T S S+ 0 0 15 1,-0.2 5,-0.1 4,-0.1 -2,-0.1 0.758 110.4 37.2 -62.7 -22.4 4.5 0.2 79.0 52 53 A N > - 0 0 31 3,-0.2 3,-1.7 1,-0.1 -1,-0.2 -0.977 62.3-155.2-137.6 122.1 3.3 3.5 77.7 53 54 A P G > S+ 0 0 102 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.709 98.5 63.9 -64.3 -21.8 1.2 6.2 79.6 54 55 A E G 3 S+ 0 0 173 1,-0.3 3,-0.1 2,-0.1 -5,-0.0 0.327 105.0 47.9 -83.7 6.3 -0.0 7.4 76.2 55 56 A E G < + 0 0 51 -3,-1.7 -1,-0.3 -6,-0.1 -3,-0.2 -0.333 63.8 137.6-142.4 54.4 -1.7 4.0 75.7 56 57 A G < + 0 0 49 -3,-0.6 2,-0.2 -5,-0.1 -7,-0.1 0.585 69.3 35.6 -78.7 -10.2 -3.5 3.4 79.0 57 58 A D S S- 0 0 87 2,-0.1 100,-0.4 -9,-0.1 -9,-0.0 -0.817 75.2-121.0-135.8 177.0 -6.6 2.0 77.2 58 59 A L + 0 0 34 -2,-0.2 15,-0.1 98,-0.1 16,-0.1 0.068 56.3 141.7-109.0 23.2 -7.7 -0.1 74.2 59 60 A N - 0 0 116 14,-0.1 -2,-0.1 1,-0.1 98,-0.1 -0.533 47.3-135.3 -69.5 118.9 -9.9 2.6 72.6 60 61 A P - 0 0 64 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.466 21.3-108.6 -75.5 144.0 -9.4 2.3 68.8 61 62 A P - 0 0 43 0, 0.0 5,-0.1 0, 0.0 11,-0.0 -0.215 50.7 -75.5 -67.7 163.9 -9.0 5.6 66.8 62 63 A P >> - 0 0 91 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.255 48.7-110.2 -57.0 153.7 -11.8 6.8 64.5 63 64 A E G >4 S+ 0 0 93 1,-0.3 3,-1.3 2,-0.2 612,-0.1 0.870 117.8 55.2 -54.7 -43.2 -12.0 4.7 61.3 64 65 A A G 34 S+ 0 0 101 1,-0.3 -1,-0.3 610,-0.0 0, 0.0 0.772 109.6 49.4 -63.6 -23.7 -10.8 7.5 59.1 65 66 A K G <4 S+ 0 0 163 -3,-1.2 2,-0.3 2,-0.1 -1,-0.3 0.492 86.2 110.0 -94.7 -3.2 -7.7 7.8 61.3 66 67 A Q S << S- 0 0 43 -3,-1.3 4,-0.1 -4,-0.5 -3,-0.0 -0.556 73.6-114.7 -79.9 132.2 -6.7 4.1 61.4 67 68 A V - 0 0 81 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.330 26.2-121.1 -58.7 140.9 -3.6 2.9 59.5 68 69 A P S S+ 0 0 46 0, 0.0 2,-1.2 0, 0.0 351,-0.2 0.902 109.5 53.5 -52.2 -44.0 -4.5 0.6 56.6 69 70 A V S S+ 0 0 7 355,-0.3 2,-0.3 349,-0.1 -2,-0.1 -0.696 91.5 97.5 -95.5 82.8 -2.4 -2.2 58.2 70 71 A S - 0 0 0 -2,-1.2 2,-0.3 -3,-0.2 302,-0.1 -0.964 51.2-154.2-157.1 162.4 -3.9 -2.3 61.7 71 72 A Y - 0 0 42 -2,-0.3 88,-3.0 2,-0.0 89,-0.4 -0.952 9.6-166.5-149.9 128.7 -6.5 -4.4 63.6 72 73 A Y B +H 158 0B 53 -2,-0.3 86,-0.1 86,-0.2 2,-0.1 -0.925 24.1 144.6-121.5 142.7 -8.6 -3.4 66.6 73 74 A D > - 0 0 60 84,-0.5 3,-1.6 -2,-0.4 -14,-0.1 -0.542 27.0-161.1-172.7 94.3 -10.7 -5.4 69.1 74 75 A S T 3 S+ 0 0 71 1,-0.3 -15,-0.1 -2,-0.1 -16,-0.1 0.699 90.5 62.8 -54.0 -19.6 -10.7 -4.1 72.7 75 76 A T T > S+ 0 0 80 -17,-0.1 3,-1.0 2,-0.0 -1,-0.3 0.660 71.6 109.6 -84.5 -21.1 -11.9 -7.6 73.6 76 77 A Y T < S+ 0 0 6 -3,-1.6 -29,-0.1 1,-0.2 -3,-0.1 -0.307 88.3 8.9 -61.1 140.6 -9.0 -9.9 72.5 77 78 A L T 3 S+ 0 0 2 1,-0.1 -30,-0.3 -31,-0.1 -1,-0.2 0.823 91.9 117.0 60.1 36.4 -7.1 -11.4 75.4 78 79 A S < + 0 0 69 -3,-1.0 2,-0.3 -32,-0.1 -2,-0.1 0.552 59.1 68.5-108.6 -7.7 -9.5 -10.3 78.1 79 80 A T S >> S- 0 0 64 -4,-0.2 4,-2.5 1,-0.1 3,-0.7 -0.814 84.1-118.7-112.1 153.5 -10.6 -13.8 79.4 80 81 A D H 3> S+ 0 0 71 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.821 114.0 56.9 -55.6 -33.5 -8.7 -16.5 81.3 81 82 A N H 3> S+ 0 0 129 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.874 108.7 44.6 -68.9 -36.6 -9.3 -18.9 78.4 82 83 A E H <> S+ 0 0 51 -3,-0.7 4,-2.6 2,-0.2 3,-0.4 0.942 112.3 52.5 -69.8 -47.4 -7.6 -16.6 75.9 83 84 A K H X S+ 0 0 23 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.883 108.5 51.6 -55.3 -40.7 -4.7 -15.8 78.3 84 85 A D H X S+ 0 0 42 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.3 0.841 111.6 45.6 -66.7 -34.1 -4.2 -19.5 78.7 85 86 A N H X S+ 0 0 37 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.841 111.3 53.9 -77.8 -30.4 -4.0 -20.0 75.0 86 87 A Y H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.971 109.3 48.2 -62.2 -54.0 -1.7 -17.0 74.7 87 88 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.912 114.9 43.6 -54.1 -49.9 0.7 -18.4 77.2 88 89 A K H X S+ 0 0 57 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.828 112.5 54.9 -69.3 -31.1 0.8 -21.9 75.6 89 90 A G H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.974 110.8 43.3 -65.2 -50.0 1.1 -20.2 72.2 90 91 A V H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.909 113.1 52.8 -60.6 -43.1 4.1 -18.2 73.2 91 92 A T H X S+ 0 0 24 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.905 108.0 50.9 -59.8 -43.4 5.7 -21.1 74.9 92 93 A K H X S+ 0 0 31 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.862 108.6 51.5 -66.2 -33.2 5.3 -23.3 71.8 93 94 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.926 107.4 53.1 -71.6 -36.0 6.9 -20.6 69.6 94 95 A F H X S+ 0 0 0 -4,-2.4 4,-3.6 1,-0.2 -2,-0.2 0.932 109.7 48.9 -60.6 -42.0 9.9 -20.4 72.0 95 96 A E H X S+ 0 0 21 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.874 109.7 51.2 -65.4 -36.2 10.3 -24.2 71.7 96 97 A R H < S+ 0 0 3 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.923 115.1 42.8 -66.5 -43.2 10.1 -24.0 67.9 97 98 A I H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 6,-0.5 0.964 114.4 50.4 -64.5 -51.2 12.8 -21.3 67.9 98 99 A Y H 3< S+ 0 0 48 -4,-3.6 6,-0.2 1,-0.3 -1,-0.2 0.758 98.5 69.9 -58.5 -25.8 14.9 -23.2 70.5 99 100 A S T 3< S+ 0 0 38 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.3 0.511 89.0 72.3 -73.1 -7.4 14.6 -26.3 68.4 100 101 A T S <> S- 0 0 16 -3,-2.0 4,-1.9 -4,-0.2 5,-0.2 -0.778 87.7-123.1-104.4 155.4 16.9 -24.9 65.7 101 102 A D H > S+ 0 0 129 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.896 114.0 50.6 -61.4 -38.6 20.7 -24.5 66.2 102 103 A L H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 111.0 46.2 -65.4 -46.0 20.3 -20.8 65.4 103 104 A G H > S+ 0 0 0 -6,-0.5 4,-2.6 2,-0.2 -5,-0.2 0.824 108.4 55.4 -67.6 -33.7 17.4 -20.2 67.8 104 105 A R H X S+ 0 0 122 -4,-1.9 4,-1.8 -7,-0.3 -1,-0.2 0.903 110.5 47.3 -65.6 -40.8 19.2 -22.0 70.7 105 106 A M H X S+ 0 0 85 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.923 112.2 48.5 -66.3 -46.6 22.2 -19.7 70.2 106 107 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.940 111.8 48.7 -61.0 -48.4 20.1 -16.5 70.1 107 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.877 110.8 51.7 -62.7 -33.0 18.1 -17.5 73.2 108 109 A T H X S+ 0 0 56 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.927 110.3 48.5 -67.9 -41.9 21.4 -18.3 75.0 109 110 A S H X S+ 0 0 15 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.899 111.8 50.5 -64.5 -37.7 22.8 -14.9 74.0 110 111 A I H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.908 109.7 49.2 -67.5 -40.7 19.6 -13.2 75.3 111 112 A V H < S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 112.7 46.8 -69.1 -33.3 19.7 -15.0 78.6 112 113 A R H < S+ 0 0 97 -4,-2.0 2,-1.8 1,-0.2 -1,-0.2 0.661 89.8 95.0 -78.7 -14.6 23.3 -14.1 79.2 113 114 A G < + 0 0 0 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.1 -0.142 55.3 172.4 -74.5 45.7 22.5 -10.5 78.2 114 115 A I - 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0 0 39 -3,-0.4 12,-0.6 -4,-0.3 -3,-0.2 0.869 45.2-179.2 47.0 50.3 4.6 12.2 21.0 750 751 B L E < -G 760 0O 5 -5,-1.7 2,-0.4 -6,-0.3 10,-0.2 -0.334 27.8-119.8 -79.5 158.9 7.4 10.2 19.4 751 752 B S E -G 759 0O 42 8,-4.5 8,-2.8 -2,-0.1 2,-0.7 -0.774 15.8-148.9 -95.8 142.3 11.0 11.3 18.8 752 753 B E E -G 758 0O 106 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.887 23.9-145.5-113.7 96.8 12.2 11.3 15.2 753 754 B D > - 0 0 73 4,-2.5 3,-1.6 -2,-0.7 5,-0.0 0.196 34.1 -83.4 -54.5 177.4 15.9 10.6 15.3 754 755 B T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.695 131.4 47.5 -57.4 -21.2 18.6 12.0 13.0 755 756 B S T 3 S- 0 0 92 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.483 120.5-102.2-101.1 -5.5 17.8 9.2 10.6 756 757 B G S < S+ 0 0 29 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.403 75.8 138.6 99.7 -3.4 14.0 9.5 10.5 757 758 B K - 0 0 132 -5,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.602 50.6-127.0 -78.4 132.2 13.3 6.6 12.8 758 759 B F E +G 752 0O 9 -37,-0.3 2,-0.3 -2,-0.3 -6,-0.2 -0.580 30.1 177.3 -83.4 143.5 10.6 7.1 15.4 759 760 B S E -G 751 0O 65 -8,-2.8 -8,-4.5 -2,-0.3 2,-0.7 -0.981 35.8-100.2-143.0 153.8 11.2 6.5 19.1 760 761 B V E -G 750 0O 8 -2,-0.3 2,-0.9 -10,-0.2 -10,-0.2 -0.648 30.6-139.7 -80.2 111.7 9.2 6.8 22.3 761 762 B D > - 0 0 41 -2,-0.7 4,-3.8 -12,-0.6 5,-0.2 -0.572 10.6-160.1 -70.8 102.8 10.2 10.0 24.2 762 763 B K H > S+ 0 0 137 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.859 90.2 51.6 -55.0 -36.9 10.2 8.8 27.8 763 764 B L H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.973 116.2 38.7 -64.5 -54.0 9.9 12.4 29.0 764 765 B K H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.863 115.4 54.0 -66.2 -37.5 6.9 13.1 26.8 765 766 B F H X S+ 0 0 4 -4,-3.8 4,-3.1 2,-0.2 5,-0.3 0.981 106.1 50.5 -60.4 -58.4 5.4 9.7 27.4 766 767 B D H X S+ 0 0 63 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.868 112.7 47.7 -45.5 -46.9 5.4 9.9 31.2 767 768 B K H X S+ 0 0 120 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.915 113.1 47.5 -62.7 -45.8 3.7 13.3 31.1 768 769 B L H X S+ 0 0 18 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.930 113.9 46.8 -62.0 -49.7 1.1 12.1 28.6 769 770 B Y H X S+ 0 0 11 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.935 113.3 48.7 -57.8 -50.9 0.3 9.0 30.6 770 771 B K H X>S+ 0 0 93 -4,-2.7 4,-3.1 -5,-0.3 5,-1.3 0.930 111.6 49.8 -56.9 -48.8 0.1 10.9 33.9 771 772 B M H X>S+ 0 0 48 -4,-2.7 5,-2.3 3,-0.2 4,-0.8 0.949 115.0 44.0 -55.5 -49.4 -2.2 13.5 32.4 772 773 B L H <5S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.851 124.8 32.2 -68.0 -34.7 -4.5 10.8 30.9 773 774 B T H <5S+ 0 0 11 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.674 134.5 13.3-100.6 -19.1 -4.5 8.6 34.0 774 775 B E H <5S+ 0 0 97 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.571 122.4 47.9-133.9 -13.2 -4.2 10.9 37.0 775 776 B I T < - 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