==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-FEB-06 2G7P . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN TYPE A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR Z.FU,M.R.BALDWIN,G.E.BOLDT,K.D.JANDA,J.T.BARBIERI,J.-J.P.KIM . 820 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 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 . 7 0.9 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 . 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 . 74 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 24.3 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 2 0 0 2 2 0 0 2 3 1 0 0 2 0 0 2 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 8 3 9 5 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 1 0 2 1 0 1 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 M 0 0 157 0, 0.0 3,-0.1 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0 81.5 85.4 82.6 68.4 2 2 A F + 0 0 5 1,-0.2 2,-0.8 86,-0.1 90,-0.0 0.903 360.0 39.5 -55.8 -47.6 82.1 81.4 69.9 3 3 A V S S- 0 0 15 85,-0.1 -1,-0.2 1,-0.1 35,-0.1 -0.885 70.6-173.9-105.8 101.7 83.1 77.7 70.2 4 4 A N + 0 0 132 -2,-0.8 2,-0.3 33,-0.3 -1,-0.1 0.016 61.6 65.4 -87.1 33.5 86.8 77.7 71.3 5 5 A K S S- 0 0 95 32,-0.1 2,-0.6 -2,-0.0 0, 0.0 -0.982 79.2-122.9-155.0 137.5 87.2 73.9 71.0 6 6 A Q - 0 0 149 -2,-0.3 2,-0.5 2,-0.0 -2,-0.1 -0.724 34.4-161.8 -81.2 119.5 87.1 71.4 68.1 7 7 A F - 0 0 11 -2,-0.6 2,-0.4 74,-0.1 81,-0.1 -0.906 13.2-176.8-110.0 131.1 84.5 68.9 69.0 8 8 A N > - 0 0 49 -2,-0.5 3,-2.2 1,-0.1 73,-0.1 -0.978 31.7-128.7-121.5 134.4 84.2 65.5 67.4 9 9 A Y T 3 S+ 0 0 14 -2,-0.4 -1,-0.1 1,-0.3 69,-0.1 0.865 107.0 55.9 -50.0 -40.6 81.3 63.2 68.3 10 10 A K T 3 S+ 0 0 139 67,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.438 76.2 121.2 -76.0 -0.9 83.7 60.4 69.1 11 11 A D S < S- 0 0 45 -3,-2.2 3,-0.1 1,-0.1 2,-0.1 -0.375 74.0-100.9 -63.3 142.1 85.8 62.3 71.6 12 12 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.373 38.6-102.8 -65.8 140.4 85.8 60.6 75.1 13 13 A V - 0 0 53 1,-0.1 6,-0.2 -3,-0.1 122,-0.0 -0.334 35.6-178.3 -60.3 143.9 83.5 62.0 77.7 14 14 A N - 0 0 57 4,-2.8 5,-0.2 -3,-0.1 -1,-0.1 0.355 41.6-118.3-125.7 -0.1 85.4 64.1 80.3 15 15 A G S S+ 0 0 0 3,-1.8 4,-0.2 120,-0.1 126,-0.1 0.431 100.5 67.3 76.4 -0.7 82.6 65.1 82.6 16 16 A V S S- 0 0 85 2,-0.4 3,-0.1 119,-0.0 -1,-0.1 0.772 121.4 -8.9-113.9 -67.7 83.2 68.8 81.8 17 17 A D S S+ 0 0 29 1,-0.3 19,-2.7 18,-0.1 2,-0.4 0.407 133.6 47.8-117.0 -0.6 82.4 69.7 78.2 18 18 A I E S+A 35 0A 4 17,-0.2 -4,-2.8 2,-0.1 -3,-1.8 -0.970 79.7 129.3-137.1 118.6 81.7 66.3 76.8 19 19 A A E -A 34 0A 0 15,-2.1 15,-3.3 -2,-0.4 2,-0.5 -0.996 61.4 -99.4-166.9 160.9 79.5 64.0 78.8 20 20 A Y E -A 33 0A 110 114,-0.4 114,-2.2 -2,-0.3 2,-0.3 -0.764 52.6-173.4 -84.3 128.9 76.6 61.7 79.0 21 21 A I E -AB 32 133A 0 11,-2.9 11,-2.2 -2,-0.5 2,-0.4 -0.821 23.3-139.4-125.0 165.2 73.8 63.8 80.5 22 22 A K E - B 0 132A 63 110,-1.8 110,-2.1 -2,-0.3 8,-0.0 -0.991 18.4-140.5-127.2 125.9 70.2 63.4 81.8 23 23 A I > - 0 0 9 -2,-0.4 3,-0.6 108,-0.2 108,-0.1 -0.497 28.7-101.7 -82.2 152.0 67.5 65.9 81.0 24 24 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 104,-0.1 -0.041 99.1 13.7 -64.2 174.4 64.9 66.9 83.7 25 25 A N T 3 S+ 0 0 127 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.728 85.0 134.5 24.7 46.2 61.3 65.5 83.8 26 26 A A X - 0 0 24 -3,-0.6 2,-2.5 1,-0.1 3,-1.7 0.198 63.0-132.0-104.8 16.2 62.5 62.9 81.3 27 27 A G T 3 S- 0 0 83 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.412 73.0 -36.7 71.9 -72.8 60.8 60.0 83.1 28 28 A Q T 3 S+ 0 0 191 -2,-2.5 -1,-0.2 -3,-0.1 -3,-0.0 0.253 82.4 169.0-168.5 11.4 63.8 57.6 83.1 29 29 A M < - 0 0 31 -3,-1.7 3,-0.1 1,-0.1 -3,-0.1 0.236 41.3-103.6 -32.4 153.5 65.5 58.1 79.7 30 30 A Q - 0 0 167 1,-0.1 -1,-0.1 -8,-0.0 -9,-0.1 -0.539 50.3 -90.1 -79.6 152.0 69.0 56.6 79.1 31 31 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.252 42.7-146.6 -61.8 154.4 71.8 59.2 79.3 32 32 A V E -A 21 0A 10 -11,-2.2 -11,-2.9 -3,-0.1 2,-0.4 -0.971 18.5-110.4-127.0 142.1 72.7 60.9 76.1 33 33 A K E +A 20 0A 18 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.3 -0.550 46.5 177.7 -71.6 122.0 76.1 62.2 74.9 34 34 A A E -A 19 0A 0 -15,-3.3 -15,-2.1 -2,-0.4 2,-0.4 -0.854 21.1-142.7-126.8 161.0 76.1 66.0 74.9 35 35 A F E -AC 18 43A 0 8,-2.2 8,-2.1 -2,-0.3 2,-1.0 -0.984 9.0-143.5-129.5 132.0 78.6 68.8 74.2 36 36 A K E + C 0 42A 51 -19,-2.7 6,-0.2 -2,-0.4 3,-0.1 -0.780 24.2 172.7 -93.0 100.5 79.1 72.1 75.9 37 37 A I E - 0 0 7 4,-1.2 -33,-0.3 -2,-1.0 2,-0.3 0.688 65.5 -1.8 -83.3 -18.8 79.9 74.5 73.1 38 38 A H E > S- C 0 41A 51 3,-1.5 3,-2.6 -35,-0.1 -1,-0.2 -0.966 99.3 -62.2-161.9 162.8 79.8 77.7 75.1 39 39 A N T 3 S+ 0 0 87 -2,-0.3 106,-0.1 1,-0.3 3,-0.0 -0.314 125.1 3.2 -53.8 128.6 79.1 78.8 78.7 40 40 A K T 3 S+ 0 0 37 104,-0.2 107,-2.6 1,-0.1 106,-1.9 0.447 113.5 103.1 72.9 2.5 75.5 77.9 79.4 41 41 A I E < +Cd 38 147A 0 -3,-2.6 -3,-1.5 105,-0.2 -4,-1.2 -0.934 41.9 171.3-128.3 117.3 75.0 76.2 76.0 42 42 A W E -Cd 36 148A 0 105,-2.5 107,-2.1 -2,-0.5 2,-0.4 -0.765 17.8-148.2-115.3 163.0 75.0 72.5 75.3 43 43 A V E -Cd 35 149A 0 -8,-2.1 -8,-2.2 -2,-0.3 107,-0.2 -0.998 2.3-163.1-132.7 130.7 74.1 70.5 72.2 44 44 A I E - d 0 150A 0 105,-3.1 2,-2.5 -2,-0.4 107,-0.9 -0.920 10.0-154.6-116.4 103.7 72.6 67.0 72.1 45 45 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 105,-0.1 -0.345 60.9 102.9 -74.2 60.1 73.1 65.4 68.6 46 46 A E E S- 0 0 39 -2,-2.5 105,-2.1 -14,-0.1 2,-0.2 -0.971 82.8 -98.0-141.4 154.7 70.0 63.1 69.1 47 47 A R E - d 0 151A 11 27,-0.4 2,-1.0 -2,-0.3 106,-0.2 -0.542 53.3-106.4 -70.1 134.1 66.5 63.1 67.8 48 48 A D + 0 0 0 103,-0.9 106,-0.2 104,-0.9 9,-0.1 -0.532 67.7 136.1 -73.6 102.7 64.4 64.6 70.5 49 49 A T + 0 0 44 -2,-1.0 -1,-0.2 7,-0.1 -2,-0.1 -0.033 66.6 63.6-128.3 24.2 62.4 61.9 72.3 50 50 A F S S+ 0 0 30 -21,-0.0 -21,-0.1 5,-0.0 -2,-0.1 0.752 85.9 59.6-116.6 -47.6 63.1 63.2 75.7 51 51 A T S S+ 0 0 12 1,-0.1 5,-0.1 4,-0.1 -2,-0.1 0.861 112.8 38.8 -56.6 -37.5 61.6 66.6 76.2 52 52 A N > - 0 0 33 3,-0.3 3,-0.6 1,-0.1 -1,-0.1 -0.965 62.0-160.4-122.8 129.9 58.1 65.3 75.5 53 53 A P G > S+ 0 0 108 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.889 95.7 55.5 -68.0 -43.7 56.6 61.9 76.7 54 54 A E G 3 S+ 0 0 168 1,-0.3 3,-0.1 2,-0.1 -5,-0.0 0.544 110.1 49.6 -69.5 -6.8 53.9 61.8 74.1 55 55 A E G < + 0 0 79 -3,-0.6 -1,-0.3 1,-0.1 -3,-0.3 -0.356 68.2 123.4-128.0 51.9 56.5 62.2 71.4 56 56 A G < + 0 0 44 -3,-0.9 2,-0.3 -5,-0.1 -7,-0.1 0.051 61.8 71.2-100.0 25.6 59.0 59.5 72.4 57 57 A D - 0 0 67 -9,-0.1 97,-0.4 2,-0.1 -9,-0.0 -0.985 65.1-148.3-140.3 149.2 58.8 57.8 69.0 58 58 A L + 0 0 31 -2,-0.3 12,-0.2 95,-0.1 13,-0.1 -0.031 56.6 132.6-105.7 30.0 60.1 58.7 65.5 59 59 A N - 0 0 101 11,-0.1 -2,-0.1 1,-0.1 95,-0.1 -0.641 63.1-111.7 -86.6 134.4 57.2 56.8 63.8 60 60 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.499 34.0-160.0 -68.8 123.1 55.3 58.5 61.0 61 61 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.141 52.3 -60.7 -83.2-159.1 51.6 59.4 62.0 62 62 A P S S- 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.453 82.4-138.5 -71.3 6.9 48.7 60.0 59.6 63 63 A E 0 0 114 3,-0.0 5,-0.0 5,-0.0 0, 0.0 0.280 360.0 360.0 59.0 171.9 50.8 63.0 58.3 64 64 A A 0 0 107 -3,-0.1 3,-0.7 0, 0.0 -1,-0.0 -0.905 360.0 360.0-174.6 360.0 49.7 66.5 57.3 65 ! 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 66 69 A V 0 0 95 0, 0.0 2,-0.2 0, 0.0 346,-0.0 0.000 360.0 360.0 360.0 91.7 54.4 70.5 55.1 67 70 A S - 0 0 6 -3,-0.7 2,-0.3 91,-0.0 301,-0.1 -0.756 360.0-154.8-124.4 169.9 56.1 67.8 57.0 68 71 A Y - 0 0 44 -2,-0.2 88,-1.6 344,-0.1 89,-0.5 -0.971 9.9-168.6-149.3 131.6 59.0 65.3 56.5 69 72 A Y + 0 0 47 -2,-0.3 86,-0.1 86,-0.2 2,-0.1 -0.926 21.4 147.5-126.4 149.1 59.6 62.0 58.2 70 73 A D > - 0 0 44 84,-0.5 3,-1.7 -2,-0.3 -11,-0.1 -0.471 23.9-162.6-177.7 96.5 62.6 59.6 58.4 71 74 A S T 3 S+ 0 0 66 1,-0.3 -13,-0.1 -2,-0.1 -12,-0.1 0.599 90.2 60.4 -62.8 -13.6 63.1 57.5 61.5 72 75 A T T > S+ 0 0 79 -14,-0.0 3,-1.0 3,-0.0 -1,-0.3 0.590 76.2 117.1 -90.8 -11.9 66.7 56.7 60.5 73 76 A Y T < S+ 0 0 1 -3,-1.7 -26,-0.1 1,-0.3 -3,-0.1 -0.328 85.3 5.4 -60.7 134.6 67.8 60.4 60.4 74 77 A L T 3 S+ 0 0 3 -28,-0.1 -27,-0.4 1,-0.1 -1,-0.3 0.898 93.4 123.1 60.3 42.5 70.6 61.2 62.8 75 78 A S < + 0 0 71 -3,-1.0 2,-0.2 -29,-0.1 -2,-0.1 0.625 54.2 70.4-106.0 -18.7 70.9 57.6 63.9 76 79 A T S > S- 0 0 62 -4,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.645 81.3-122.6-101.3 158.2 74.6 57.1 63.2 77 80 A D H > S+ 0 0 73 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.864 114.4 54.8 -63.6 -38.2 77.7 58.4 64.9 78 81 A N H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 108.6 48.4 -64.7 -35.8 78.9 60.0 61.7 79 82 A E H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.913 110.5 50.2 -69.7 -41.8 75.6 61.8 61.4 80 83 A K H X S+ 0 0 25 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.870 110.6 51.2 -64.1 -34.8 75.7 63.0 64.9 81 84 A D H X S+ 0 0 42 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.926 111.4 45.9 -67.9 -43.8 79.2 64.3 64.3 82 85 A N H X S+ 0 0 36 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.896 112.8 51.8 -65.1 -38.9 78.1 66.1 61.1 83 86 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.955 109.4 49.2 -60.0 -52.3 75.2 67.5 63.1 84 87 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.895 112.9 47.9 -54.1 -45.2 77.4 68.8 65.9 85 88 A K H X S+ 0 0 50 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.903 111.4 50.6 -65.8 -40.6 79.7 70.4 63.3 86 89 A G H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.941 111.5 46.0 -63.7 -48.0 76.8 72.0 61.5 87 90 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 3,-0.2 0.955 113.2 50.6 -58.6 -50.2 75.3 73.5 64.6 88 91 A T H X S+ 0 0 28 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.892 110.4 49.8 -52.5 -46.4 78.7 74.8 65.8 89 92 A K H X S+ 0 0 22 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.833 108.6 51.6 -65.1 -37.2 79.3 76.4 62.4 90 93 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.2 -1,-0.2 0.832 107.5 53.9 -70.9 -31.7 75.9 78.2 62.4 91 94 A F H X S+ 0 0 0 -4,-1.9 4,-3.5 2,-0.2 -2,-0.2 0.917 109.2 47.5 -66.9 -43.1 76.6 79.6 65.8 92 95 A E H X S+ 0 0 30 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.911 110.5 52.7 -63.7 -42.0 79.9 81.0 64.6 93 96 A R H < S+ 0 0 4 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.927 114.7 41.8 -59.8 -43.0 78.2 82.5 61.6 94 97 A I H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 6,-0.4 0.964 113.7 51.6 -67.6 -50.3 75.6 84.1 63.8 95 98 A Y H 3< S+ 0 0 63 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.716 98.8 67.7 -58.9 -23.0 78.2 85.2 66.4 96 99 A S T 3< S+ 0 0 60 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.3 0.610 88.5 75.4 -76.3 -13.8 80.3 86.8 63.6 97 100 A T S <> S- 0 0 19 -3,-1.9 4,-2.3 -4,-0.3 5,-0.2 -0.685 88.4-122.9 -95.8 155.2 77.8 89.5 63.0 98 101 A D H > S+ 0 0 79 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.883 114.3 49.0 -63.6 -37.1 77.4 92.5 65.4 99 102 A L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 111.8 47.6 -66.6 -48.4 73.7 91.6 65.9 100 103 A G H > S+ 0 0 0 -6,-0.4 4,-2.5 1,-0.2 5,-0.2 0.854 107.9 54.9 -63.2 -36.5 74.4 87.9 66.5 101 104 A R H X S+ 0 0 110 -4,-2.3 4,-1.6 -7,-0.3 -1,-0.2 0.920 110.9 46.9 -64.1 -40.6 77.2 88.7 69.0 102 105 A M H X S+ 0 0 62 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.941 111.7 49.1 -64.7 -50.6 74.7 90.8 70.9 103 106 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.935 112.5 47.1 -55.2 -51.2 71.9 88.2 70.9 104 107 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.856 111.0 53.2 -62.8 -33.2 74.2 85.4 72.0 105 108 A T H X S+ 0 0 61 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.947 110.0 47.3 -65.6 -46.9 75.6 87.6 74.8 106 109 A S H X S+ 0 0 8 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.921 111.6 51.7 -58.9 -43.8 72.0 88.3 76.0 107 110 A I H < S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.916 110.3 47.8 -60.8 -43.6 71.2 84.6 75.8 108 111 A V H < S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.2 47.9 -67.1 -31.6 74.3 83.7 77.9 109 112 A R H < S+ 0 0 87 -4,-2.0 2,-1.5 1,-0.2 -1,-0.2 0.616 90.4 91.9 -82.3 -12.6 73.4 86.5 80.5 110 113 A G < + 0 0 0 -4,-1.0 -1,-0.2 -3,-0.5 3,-0.1 -0.200 56.4 172.4 -80.6 48.9 69.8 85.2 80.6 111 114 A I - 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0 0 72 -2,-0.2 4,-1.9 -3,-0.1 5,-0.2 -0.384 20.0-118.9 -76.4 159.5 77.2 83.0 97.7 305 309 A L H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 112.7 49.1 -63.9 -50.2 74.0 85.1 98.1 306 310 A Q H > S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.841 109.0 55.9 -62.6 -30.1 75.4 88.4 96.9 307 311 A Y H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 109.3 43.7 -66.7 -47.4 76.9 86.6 93.9 308 312 A M H X S+ 0 0 9 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.888 112.0 54.1 -65.2 -36.6 73.6 85.2 92.7 309 313 A K H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.894 109.0 49.5 -62.1 -38.8 71.9 88.5 93.4 310 314 A N H X S+ 0 0 47 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.856 103.9 59.5 -67.5 -36.9 74.5 90.2 91.2 311 315 A V H X S+ 0 0 20 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.932 112.6 38.3 -57.9 -44.6 73.9 87.6 88.5 312 316 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 6,-0.3 0.811 109.4 59.9 -79.4 -26.3 70.3 88.8 88.3 313 317 A K H <>S+ 0 0 59 -4,-2.0 5,-2.5 1,-0.2 -1,-0.2 0.905 111.8 43.6 -62.7 -39.2 71.2 92.4 88.8 314 318 A E H ><5S+ 0 0 104 -4,-2.4 3,-0.7 3,-0.2 -2,-0.2 0.893 111.5 52.5 -72.0 -42.5 73.2 92.0 85.6 315 319 A K H 3<5S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.948 119.8 32.7 -59.1 -51.3 70.6 90.0 83.7 316 320 A Y T 3<5S- 0 0 3 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.303 105.7-122.3 -89.6 8.1 67.8 92.5 84.3 317 321 A L T < 5 - 0 0 44 -3,-0.7 12,-0.5 -4,-0.2 -3,-0.2 0.938 48.4-177.0 49.7 49.5 70.1 95.5 84.2 318 322 A L < - 0 0 3 -5,-2.5 2,-0.3 -6,-0.3 10,-0.2 -0.406 23.3-123.1 -79.3 156.0 68.8 96.4 87.7 319 323 A S E -P 327 0G 35 8,-3.5 8,-2.0 -2,-0.1 2,-0.4 -0.772 22.2-162.7 -98.0 144.9 69.9 99.6 89.6 320 324 A E E -P 326 0G 69 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.993 2.6-155.8-132.1 126.4 71.4 99.3 93.0 321 325 A D > - 0 0 72 4,-1.8 3,-1.7 -2,-0.4 6,-0.0 -0.276 41.9 -89.2 -88.4-178.6 71.7 102.1 95.6 322 326 A T T 3 S+ 0 0 149 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.814 126.6 62.0 -61.1 -32.1 74.3 102.5 98.4 323 327 A S T 3 S- 0 0 105 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.618 117.0-116.2 -69.6 -11.7 71.9 100.6 100.7 324 328 A G < + 0 0 30 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.583 66.9 144.4 86.5 11.0 72.3 97.7 98.3 325 329 A K - 0 0 120 1,-0.0 -4,-1.8 0, 0.0 -1,-0.3 -0.667 41.7-135.1 -87.4 137.2 68.6 97.7 97.3 326 330 A F E +P 320 0G 7 -2,-0.3 2,-0.3 -37,-0.3 -6,-0.2 -0.592 27.5 166.3 -92.2 151.3 67.7 96.8 93.7 327 331 A S E -P 319 0G 63 -8,-2.0 -8,-3.5 -2,-0.2 2,-0.6 -0.978 37.2-102.6-154.8 162.3 65.2 98.6 91.5 328 332 A V - 0 0 19 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.1 -0.816 26.6-144.6 -95.9 124.4 64.2 98.8 87.9 329 333 A D > - 0 0 54 -2,-0.6 4,-2.7 -12,-0.5 5,-0.2 -0.750 11.0-141.1 -85.9 124.8 65.4 101.8 85.9 330 334 A K H > S+ 0 0 80 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.912 99.2 41.5 -52.8 -49.7 62.8 102.8 83.3 331 335 A L H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.784 113.6 51.6 -74.2 -25.7 65.2 103.6 80.5 332 336 A K H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 112.5 47.8 -74.1 -40.4 67.4 100.6 81.1 333 337 A F H X S+ 0 0 2 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.936 111.3 50.2 -61.8 -48.8 64.3 98.4 81.0 334 338 A D H X S+ 0 0 62 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.893 112.2 47.7 -57.4 -42.8 63.2 100.1 77.8 335 339 A K H X S+ 0 0 147 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.959 115.2 44.2 -64.7 -51.0 66.6 99.6 76.2 336 340 A L H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.950 116.3 46.9 -56.9 -51.9 66.8 96.0 77.2 337 341 A Y H X S+ 0 0 7 -4,-3.3 4,-2.0 1,-0.2 5,-0.3 0.882 113.0 48.4 -59.0 -43.7 63.2 95.2 76.2 338 342 A K H X>S+ 0 0 104 -4,-2.5 4,-3.4 -5,-0.3 5,-1.6 0.931 111.3 51.9 -62.9 -44.5 63.5 97.0 72.9 339 343 A M H X>S+ 0 0 27 -4,-2.6 5,-2.2 -5,-0.2 4,-0.6 0.950 112.9 43.2 -56.9 -52.9 66.7 95.1 72.2 340 344 A L H <5S+ 0 0 0 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.803 127.6 28.5 -65.5 -32.5 65.2 91.7 72.9 341 345 A T H <5S+ 0 0 4 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.773 132.5 22.7-103.2 -30.7 61.9 92.3 71.0 342 346 A E H <5S+ 0 0 77 -4,-3.4 -3,-0.2 -5,-0.3 -79,-0.2 0.700 123.5 44.1-110.3 -28.5 62.7 94.9 68.2 343 347 A I T < - 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0 0 31 -2,-0.7 4,-2.2 -441,-0.1 -441,-0.2 -0.170 20.6-100.1 -74.0 168.4 42.0 91.3 59.9 683 275 B S H > S+ 0 0 1 -443,-2.2 4,-2.7 1,-0.2 5,-0.2 0.878 120.2 48.8 -51.3 -50.1 39.7 88.6 58.5 684 276 B L H > S+ 0 0 107 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.956 112.7 47.2 -59.9 -50.8 36.8 89.3 60.9 685 277 B Q H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.841 112.5 50.7 -60.1 -34.1 36.9 93.0 60.3 686 278 B E H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.953 112.1 45.8 -68.9 -48.6 37.0 92.5 56.5 687 279 B N H X S+ 0 0 30 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.917 111.2 55.5 -58.6 -45.1 34.0 90.1 56.6 688 280 B E H X S+ 0 0 91 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.962 108.2 44.9 -51.9 -61.8 32.2 92.5 58.9 689 281 B F H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.883 111.9 54.3 -53.2 -42.7 32.5 95.5 56.6 690 282 B R H X S+ 0 0 32 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.966 111.9 41.8 -58.5 -55.4 31.5 93.4 53.5 691 283 B L H X S+ 0 0 85 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.922 112.2 58.0 -56.7 -45.4 28.2 92.1 55.1 692 284 B Y H X S+ 0 0 110 -4,-2.8 4,-1.7 -5,-0.3 3,-0.4 0.927 111.7 38.2 -50.2 -55.6 27.5 95.6 56.5 693 285 B Y H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.736 108.0 64.9 -71.9 -21.5 27.6 97.3 53.1 694 286 B Y H X S+ 0 0 25 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.884 106.4 45.0 -65.7 -35.8 25.9 94.3 51.6 695 287 B N H X S+ 0 0 78 -4,-2.0 4,-2.5 -3,-0.4 -2,-0.2 0.885 107.4 56.0 -73.6 -40.1 23.0 95.3 53.8 696 288 B K H < S+ 0 0 52 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.891 108.5 50.2 -59.0 -37.1 23.2 99.0 52.9 697 289 B F H >X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 3,-0.8 0.886 108.5 50.4 -68.2 -39.0 22.8 97.9 49.3 698 290 B K H 3X S+ 0 0 86 -4,-1.5 4,-1.7 1,-0.3 -2,-0.2 0.875 106.8 55.9 -66.1 -34.5 19.8 95.8 50.1 699 291 B D H 3X S+ 0 0 81 -4,-2.5 4,-1.3 2,-0.2 -1,-0.3 0.628 108.8 49.1 -70.4 -14.7 18.4 98.8 51.9 700 292 B V H <> S+ 0 0 1 -3,-0.8 4,-2.3 -4,-0.5 -2,-0.2 0.907 108.8 48.3 -87.2 -53.6 18.8 100.7 48.6 701 293 B A H X S+ 0 0 3 -4,-2.4 4,-0.6 1,-0.2 37,-0.4 0.809 114.1 51.7 -55.1 -29.9 17.1 98.1 46.4 702 294 B S H >X S+ 0 0 53 -4,-1.7 3,-1.7 -5,-0.2 4,-1.6 0.966 107.1 48.8 -70.5 -55.2 14.4 98.2 49.0 703 295 B T H 3< S+ 0 0 44 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.805 107.5 58.6 -54.4 -31.3 14.0 102.0 49.0 704 296 B L H 3< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -1,-0.3 0.745 105.4 49.1 -70.4 -25.3 13.8 101.7 45.1 705 297 B N H << S+ 0 0 39 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.816 108.4 51.1 -83.4 -33.1 10.8 99.3 45.4 706 298 B K S < S+ 0 0 119 -4,-1.6 2,-0.5 -171,-0.1 -1,-0.2 0.100 92.2 107.1 -90.4 21.6 8.9 101.6 47.8 707 299 B A + 0 0 1 -3,-0.5 -170,-0.2 -5,-0.2 -171,-0.1 -0.886 23.9 141.0-107.5 130.7 9.4 104.5 45.4 708 300 B K + 0 0 149 -172,-3.6 -171,-0.2 -2,-0.5 -1,-0.1 0.591 60.1 53.0-131.6 -43.3 6.7 105.9 43.2 709 301 B S E -a 537 0M 54 -173,-2.6 -171,-2.1 8,-0.0 2,-0.2 -0.304 58.2-171.2 -90.7 178.8 7.0 109.7 43.1 710 302 B I E -a 538 0M 30 -173,-0.3 -171,-0.2 -2,-0.1 2,-0.1 -0.598 19.3-130.5-177.8 111.2 10.1 111.8 42.1 711 303 B I S S+ 0 0 82 -173,-0.8 -171,-0.3 -2,-0.2 3,-0.1 -0.411 78.4 43.3 -68.5 135.5 10.8 115.5 42.3 712 304 B G S > S- 0 0 42 -2,-0.1 2,-4.2 1,-0.1 3,-0.6 0.810 79.3-121.7 93.3 94.3 12.2 117.2 39.2 713 305 B T T 3 S+ 0 0 150 1,-0.2 -1,-0.1 0, 0.0 3,-0.1 -0.032 70.7 128.3 -59.0 42.8 10.6 116.3 35.8 714 306 B T T 3 S- 0 0 89 -2,-4.2 2,-0.3 1,-0.2 -1,-0.2 0.875 80.2 -49.4 -67.7 -38.8 14.0 115.2 34.5 715 307 B A S < S- 0 0 44 -3,-0.6 -1,-0.2 0, 0.0 2,-0.1 -0.899 80.4 -40.7-171.7-162.5 12.6 111.8 33.3 716 308 B S > - 0 0 55 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.372 44.9-117.8 -82.7 160.6 10.5 108.9 34.4 717 309 B L H > S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.743 119.1 59.2 -65.3 -21.2 10.6 107.1 37.8 718 310 B Q H > S+ 0 0 139 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.879 101.5 50.4 -74.0 -41.7 11.7 104.2 35.6 719 311 B Y H > S+ 0 0 138 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.945 111.1 46.4 -64.0 -50.7 14.8 105.9 34.3 720 312 B M H X S+ 0 0 11 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.852 113.2 51.3 -60.5 -35.9 16.2 107.0 37.7 721 313 B K H X S+ 0 0 29 -4,-1.1 4,-1.0 -5,-0.2 -1,-0.2 0.844 109.8 48.8 -70.3 -33.3 15.5 103.5 39.0 722 314 B N H X S+ 0 0 58 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.699 105.3 60.9 -78.1 -19.3 17.4 102.0 36.1 723 315 B V H X S+ 0 0 29 -4,-1.4 4,-1.7 2,-0.2 3,-0.5 0.983 112.0 35.8 -66.7 -58.3 20.2 104.4 36.8 724 316 B F H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 6,-0.4 0.683 110.5 64.4 -68.1 -20.1 20.8 103.1 40.3 725 317 B K H <>S+ 0 0 51 -4,-1.0 5,-1.2 1,-0.2 -1,-0.2 0.899 109.4 39.9 -68.8 -38.6 19.9 99.6 39.0 726 318 B E H <5S+ 0 0 106 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.780 113.7 55.5 -78.8 -29.8 23.0 99.9 36.8 727 319 B K H <5S+ 0 0 2 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 1.000 119.1 29.2 -64.1 -66.2 25.0 101.6 39.6 728 320 B Y T <5S- 0 0 8 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.319 104.8-126.3 -77.4 9.0 24.6 98.9 42.2 729 321 B L T 5 + 0 0 59 -3,-0.1 12,-0.2 -5,-0.1 -3,-0.2 0.818 48.0 178.8 46.8 35.9 24.3 96.2 39.5 730 322 B L < - 0 0 6 -5,-1.2 2,-0.4 -6,-0.4 10,-0.2 0.064 24.8-124.8 -59.2 173.2 21.0 95.2 41.1 731 323 B S E -H 739 0Q 37 8,-2.4 8,-2.0 2,-0.0 2,-0.4 -0.988 18.6-161.9-126.9 134.4 18.7 92.4 39.9 732 324 B E E -H 738 0Q 80 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.959 16.6-130.2-120.2 131.3 15.1 92.9 39.1 733 325 B D > - 0 0 68 4,-1.8 2,-4.1 -2,-0.4 3,-2.3 -0.404 43.3 -92.4 -73.0 156.6 12.5 90.1 38.8 734 326 B T T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.189 123.3 58.9 -66.9 54.9 10.4 90.1 35.7 735 327 B S T 3 S- 0 0 109 -2,-4.1 -1,-0.3 2,-0.2 -3,-0.0 0.338 119.3 -93.7-154.4 -17.6 7.8 92.1 37.6 736 328 B G S < S+ 0 0 36 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.247 77.6 131.9 115.4 -13.2 9.6 95.3 38.7 737 329 B K - 0 0 126 -4,-0.1 -4,-1.8 1,-0.0 -1,-0.3 -0.529 47.3-138.7 -76.4 135.2 10.9 94.3 42.2 738 330 B F E +H 732 0Q 6 -37,-0.4 2,-0.3 -2,-0.2 -6,-0.2 -0.680 25.2 171.4 -94.6 150.2 14.6 95.1 43.0 739 331 B S E -H 731 0Q 57 -8,-2.0 -8,-2.4 -2,-0.3 2,-0.5 -0.990 31.9-117.0-155.9 149.5 16.9 92.8 44.9 740 332 B V - 0 0 20 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.1 -0.794 24.0-150.1 -93.8 123.0 20.6 92.5 45.7 741 333 B D > - 0 0 65 -2,-0.5 4,-1.8 -12,-0.2 5,-0.1 -0.797 3.8-150.4 -93.3 130.2 22.5 89.5 44.4 742 334 B K H > S+ 0 0 129 -2,-0.5 4,-2.8 2,-0.2 5,-0.4 0.941 94.1 55.4 -62.9 -52.3 25.4 88.2 46.5 743 335 B L H > S+ 0 0 141 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.875 115.4 41.1 -50.0 -40.6 27.5 86.8 43.7 744 336 B K H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.1 -1,-0.3 0.792 113.0 53.4 -79.6 -30.1 27.3 90.2 42.0 745 337 B F H X S+ 0 0 6 -4,-1.8 4,-3.6 2,-0.2 5,-0.3 0.956 107.4 49.6 -69.0 -51.8 27.8 92.3 45.1 746 338 B D H X S+ 0 0 67 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.854 112.2 51.0 -55.1 -35.4 31.0 90.5 46.2 747 339 B K H X S+ 0 0 153 -4,-0.9 4,-1.6 -5,-0.4 -1,-0.2 0.928 114.1 41.6 -69.5 -44.9 32.3 91.0 42.7 748 340 B L H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 117.3 48.2 -67.5 -44.2 31.5 94.8 42.7 749 341 B Y H X S+ 0 0 3 -4,-3.6 4,-2.7 1,-0.2 5,-0.4 0.940 111.1 49.6 -61.3 -49.9 32.8 95.1 46.3 750 342 B K H X>S+ 0 0 100 -4,-2.5 4,-2.3 -5,-0.3 5,-2.1 0.858 110.9 52.2 -58.0 -36.0 36.0 93.2 45.6 751 343 B M H <>S+ 0 0 36 -4,-1.6 5,-1.6 3,-0.2 -2,-0.2 0.935 114.3 40.7 -66.9 -46.2 36.5 95.5 42.6 752 344 B L H <5S+ 0 0 0 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.804 129.4 27.3 -73.3 -31.1 36.1 98.7 44.5 753 345 B T H <5S+ 0 0 8 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.729 133.3 23.7-106.2 -25.2 38.0 97.6 47.6 754 346 B E T <5S+ 0 0 80 -4,-2.3 -3,-0.2 -5,-0.4 -79,-0.2 0.752 124.5 41.5-110.8 -38.0 40.6 95.0 46.4 755 347 B I T - 0 0 4 -2,-1.3 4,-1.8 -3,-0.2 -84,-0.2 -0.947 69.6-113.9-137.9 159.1 44.2 100.0 45.3 758 350 B E H > S+ 0 0 29 -86,-2.9 4,-2.3 -2,-0.3 5,-0.2 0.898 116.0 56.0 -57.3 -42.7 47.3 102.2 45.2 759 351 B D H > S+ 0 0 61 -86,-1.9 4,-1.2 -87,-0.3 -1,-0.2 0.896 105.7 49.3 -58.6 -45.2 49.5 99.0 45.1 760 352 B N H > S+ 0 0 50 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.869 110.3 50.7 -65.9 -34.7 47.8 97.6 42.0 761 353 B F H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.891 105.0 57.4 -68.6 -36.9 48.2 100.9 40.2 762 354 B V H X>S+ 0 0 13 -4,-2.3 5,-1.2 1,-0.2 4,-0.7 0.839 108.1 48.9 -60.6 -30.2 51.9 100.9 41.1 763 355 B N H <5S+ 0 0 69 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.800 110.8 47.9 -79.9 -30.6 52.0 97.6 39.3 764 356 B F H <5S+ 0 0 89 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 116.5 42.7 -76.3 -37.1 50.3 98.7 36.2 765 357 B F H <5S- 0 0 18 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.646 98.1-141.9 -80.9 -16.8 52.4 101.9 35.9 766 358 B K T <5 + 0 0 149 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.899 50.8 143.8 54.2 44.2 55.6 99.9 36.7 767 359 B V < - 0 0 1 -5,-1.2 2,-0.3 -6,-0.2 -1,-0.2 -0.738 57.1-103.6-111.0 160.5 56.9 102.8 38.8 768 360 B I + 0 0 1 -2,-0.3 -141,-0.4 -143,-0.1 2,-0.3 -0.629 49.7 161.8 -82.6 141.3 58.8 102.9 42.0 769 361 B N - 0 0 16 -2,-0.3 -143,-0.0 -571,-0.2 -144,-0.0 -0.981 49.2 -76.4-155.3 156.6 56.7 103.8 45.0 770 362 B A - 0 0 21 -2,-0.3 3,-0.1 1,-0.2 -161,-0.1 -0.324 39.2-143.2 -55.1 140.3 57.0 103.5 48.8 771 363 B K S S+ 0 0 50 1,-0.2 -94,-0.3 -95,-0.0 2,-0.3 0.644 78.0 6.6 -84.1 -15.6 56.2 99.9 49.7 772 364 B T S > S- 0 0 24 3,-0.2 3,-2.2 -96,-0.1 -1,-0.2 -0.971 74.3-111.8-162.1 150.9 54.3 100.7 52.8 773 365 B F T 3 S+ 0 0 25 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.723 111.7 76.2 -59.8 -18.9 53.1 103.9 54.6 774 366 B L T 3 S+ 0 0 36 1,-0.2 2,-1.4 2,-0.1 -1,-0.3 0.766 81.0 70.9 -62.6 -26.4 55.7 102.9 57.2 775 367 B N S < S- 0 0 29 -3,-2.2 -1,-0.2 -165,-0.0 -3,-0.2 -0.736 90.6-154.1 -91.6 87.4 58.4 104.2 54.8 776 368 B F - 0 0 88 -2,-1.4 -168,-0.4 1,-0.1 -2,-0.1 -0.228 18.8 -96.1 -69.5 151.3 57.4 107.9 55.2 777 369 B D - 0 0 63 1,-0.1 -170,-0.2 -170,-0.1 -1,-0.1 -0.377 30.7-167.5 -62.4 139.0 57.9 110.7 52.7 778 370 B K + 0 0 57 -172,-2.7 2,-0.3 1,-0.2 -171,-0.2 0.576 61.3 5.1-105.7 -15.6 61.1 112.6 53.4 779 371 B A E -C 606 0O 0 -173,-1.3 -173,-3.3 46,-0.2 2,-0.4 -0.999 57.4-123.2-164.9 164.5 60.5 115.7 51.2 780 372 B V E -CF 605 824O 2 44,-1.5 43,-2.9 -2,-0.3 44,-0.9 -0.942 24.9-168.3-117.1 135.1 58.4 117.7 48.8 781 373 B F E -CF 604 822O 6 -177,-2.6 -177,-2.3 -2,-0.4 2,-0.4 -0.939 20.8-129.7-124.5 145.9 59.4 118.7 45.2 782 374 B R E +CF 603 821O 89 39,-2.2 39,-1.5 -2,-0.4 -179,-0.3 -0.742 38.7 173.7 -88.4 137.8 57.9 121.1 42.7 783 375 B I - 0 0 9 -181,-3.1 2,-0.2 -2,-0.4 37,-0.1 -0.809 29.9-148.2-135.9 176.5 57.4 119.5 39.3 784 376 B N + 0 0 57 35,-0.3 -182,-0.1 -2,-0.3 7,-0.1 -0.730 16.4 172.6-151.8 95.9 55.9 120.2 35.9 785 377 B I + 0 0 2 -184,-0.5 6,-0.3 -2,-0.2 5,-0.1 0.491 59.8 89.0 -85.8 -3.6 54.5 117.2 34.0 786 378 B V + 0 0 38 4,-0.1 2,-0.2 3,-0.1 -1,-0.2 0.942 69.1 80.3 -61.3 -49.5 53.0 119.1 31.2 787 379 B P S >> S- 0 0 35 0, 0.0 4,-2.5 0, 0.0 3,-2.4 -0.422 73.0-145.7 -63.9 127.5 56.0 119.0 28.9 788 380 B D T 34 S+ 0 0 101 1,-0.3 -2,-0.1 2,-0.2 -3,-0.0 0.687 102.2 67.6 -62.6 -18.7 56.4 115.7 27.0 789 381 B E T 34 S+ 0 0 136 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.683 112.2 31.0 -75.2 -15.7 60.1 116.3 27.5 790 382 B N T <4 S+ 0 0 14 -3,-2.4 2,-0.3 1,-0.4 -2,-0.2 0.815 131.6 1.1-105.6 -47.6 59.5 115.8 31.2 791 383 B Y < - 0 0 0 -4,-2.5 -1,-0.4 -6,-0.3 2,-0.3 -0.999 59.1-163.3-150.5 141.7 56.6 113.4 31.6 792 384 B T B > -I 796 0R 35 4,-1.7 4,-1.4 -2,-0.3 6,-0.1 -0.828 34.1-112.1-125.9 166.8 54.4 111.3 29.3 793 385 B I T 4 S+ 0 0 52 -2,-0.3 -282,-0.1 1,-0.2 -1,-0.1 0.819 114.9 39.3 -63.4 -31.9 51.1 109.4 29.5 794 386 B K T 4 S+ 0 0 136 2,-0.1 -1,-0.2 1,-0.1 4,-0.0 0.727 129.0 20.6 -95.8 -25.3 52.8 106.1 29.0 795 387 B D T >4 S- 0 0 34 1,-0.3 3,-2.0 2,-0.0 -2,-0.2 0.290 78.7-154.9-128.1 11.3 56.1 106.2 31.0 796 388 B G B 3< S-I 792 0R 0 -4,-1.4 -4,-1.7 1,-0.3 -1,-0.3 -0.275 79.2 -17.9 50.9-121.4 55.6 109.0 33.5 797 389 B F T 3 S+ 0 0 0 -6,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.688 124.3 84.2 -87.0 -18.4 59.1 110.2 34.3 798 390 B N S < S- 0 0 18 -3,-2.0 -1,-0.2 7,-0.1 7,-0.1 -0.472 74.5-160.4 -88.6 70.5 60.8 107.1 32.9 799 391 B L > - 0 0 25 -2,-1.8 3,-0.8 -9,-0.2 6,-0.6 -0.239 13.2-127.6 -57.3 128.1 60.9 108.2 29.3 800 392 B K T 3 S+ 0 0 129 1,-0.2 5,-0.5 4,-0.1 4,-0.1 0.891 98.2 27.8 -37.3-102.2 61.4 105.5 26.6 801 393 B G T 3 S+ 0 0 91 3,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.478 110.2 94.5 -49.9 -0.3 64.3 106.3 24.2 802 394 B A S X S- 0 0 37 -3,-0.8 3,-1.1 1,-0.1 4,-0.1 -0.399 91.1-113.9 -90.6 170.1 65.8 108.3 27.1 803 395 B N T 3 S+ 0 0 116 1,-0.2 3,-0.3 2,-0.1 6,-0.1 0.369 112.4 72.6 -81.5 5.2 68.4 107.2 29.6 804 396 B L T 3 S+ 0 0 15 -5,-0.4 6,-1.6 1,-0.2 -1,-0.2 0.525 73.3 84.2 -94.9 -7.3 65.6 107.7 32.2 805 397 B S S < S+ 0 0 54 -3,-1.1 3,-0.3 -6,-0.6 2,-0.3 0.716 83.5 63.3 -69.1 -23.2 63.7 104.6 31.0 806 398 B T S > S+ 0 0 76 -3,-0.3 3,-1.9 1,-0.2 4,-0.1 -0.784 104.5 7.5-112.4 152.7 65.7 102.1 33.1 807 399 B N T 3 S- 0 0 43 -2,-0.3 -187,-0.5 1,-0.3 -1,-0.2 0.765 117.5 -78.2 57.4 26.5 66.2 101.5 36.8 808 400 B F T >> S+ 0 0 31 -3,-0.3 3,-1.3 1,-0.1 4,-0.5 0.817 82.3 156.8 54.2 33.3 63.5 104.1 37.4 809 401 B N G X4 + 0 0 20 -3,-1.9 3,-1.3 1,-0.3 7,-0.5 0.838 65.3 65.4 -56.9 -33.1 66.1 106.8 36.7 810 402 B G G 34 S+ 0 0 0 -6,-1.6 -1,-0.3 1,-0.3 -5,-0.1 0.829 103.6 45.7 -58.5 -33.3 63.3 109.2 35.7 811 403 B Q G <4 S+ 0 0 0 -3,-1.3 -186,-2.9 -7,-0.2 2,-0.9 0.475 86.1 104.2 -89.5 -4.9 62.1 109.1 39.3 812 404 B N B 4 S+ 0 0 128 -193,-0.3 3,-1.1 -191,-0.3 -1,-0.2 0.925 116.1 39.6 -86.9 -56.5 69.3 113.3 41.7 815 407 B I T 34 S+ 0 0 73 1,-0.3 2,-0.7 -194,-0.2 3,-0.3 0.959 126.4 36.7 -56.1 -55.5 69.8 111.7 38.3 816 408 B N T >< S+ 0 0 8 -4,-2.7 3,-1.7 -7,-0.5 -1,-0.3 -0.374 78.5 148.9 -95.8 52.3 66.8 113.5 36.8 817 409 B S G X + 0 0 73 -3,-1.1 3,-1.2 -2,-0.7 -1,-0.2 0.734 58.6 69.2 -59.5 -28.8 67.5 116.7 38.7 818 410 B R G 3 S+ 0 0 172 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.676 100.3 51.5 -67.5 -13.5 66.0 119.0 36.1 819 411 B N G < S+ 0 0 6 -3,-1.7 2,-0.4 1,-0.1 -35,-0.3 0.505 106.9 55.1-100.1 -5.3 62.6 117.6 36.9 820 412 B F < - 0 0 12 -3,-1.2 2,-0.6 -4,-0.3 -37,-0.2 -0.978 52.1-175.2-137.1 127.1 62.6 118.1 40.7 821 413 B T E -F 782 0O 86 -39,-1.5 -39,-2.2 -2,-0.4 2,-0.1 -0.955 28.6-132.3-120.1 110.1 63.2 121.1 42.9 822 414 B R E +F 781 0O 127 -2,-0.6 -41,-0.2 -41,-0.2 3,-0.1 -0.362 28.6 173.1 -62.9 133.4 63.3 120.3 46.6 823 415 B L E - 0 0 54 -43,-2.9 2,-0.3 1,-0.4 -42,-0.1 0.768 52.1 -46.7-110.9 -41.4 61.2 122.6 48.7 824 416 B K E F 780 0O 93 -44,-0.9 -44,-1.5 -341,-0.0 -1,-0.4 -0.919 360.0 360.0-170.1-166.7 61.2 121.3 52.3 825 417 B N 0 0 60 -2,-0.3 -46,-0.2 -46,-0.2 -47,-0.1 -0.012 360.0 360.0 75.1 360.0 60.8 118.3 54.7