==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-DEC-12 4IJN . COMPND 2 MOLECULE: ACETATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 751 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 2 5 1 2 8 2 0 0 0 6 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 . 3 4 0 2 0 3 3 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 . 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 133 0, 0.0 64,-0.4 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 142.4 68.5 17.1 24.5 2 2 A V - 0 0 64 62,-0.1 20,-0.4 64,-0.1 2,-0.3 -0.269 360.0-160.1 -54.4 137.1 64.9 16.2 23.5 3 3 A T E -a 66 0A 0 62,-1.9 64,-2.8 17,-0.2 65,-0.6 -0.908 8.4-166.1-128.5 142.2 64.3 12.6 22.5 4 4 A V E -aB 68 19A 2 15,-2.5 15,-2.8 -2,-0.3 2,-0.5 -0.994 16.0-139.1-127.9 138.1 61.5 10.9 20.5 5 5 A L E -aB 69 18A 0 63,-2.0 65,-2.7 -2,-0.4 2,-0.4 -0.872 22.3-155.0 -91.0 128.9 60.6 7.2 20.2 6 6 A V E -aB 70 17A 0 11,-3.0 11,-1.8 -2,-0.5 2,-0.4 -0.915 10.6-172.2-110.7 130.0 59.7 6.3 16.6 7 7 A V E +aB 71 16A 1 63,-2.8 65,-1.6 -2,-0.4 2,-0.5 -0.993 5.8 179.7-122.4 122.5 57.5 3.4 15.7 8 8 A N E - B 0 15A 9 7,-2.8 7,-2.8 -2,-0.4 2,-0.7 -0.892 13.2-167.3-128.5 98.7 57.0 2.4 12.1 9 9 A S E + B 0 14A 5 -2,-0.5 5,-0.2 63,-0.3 2,-0.1 -0.820 9.3 176.9-102.8 108.6 54.7 -0.7 12.0 10 10 A G - 0 0 13 3,-2.8 94,-0.1 -2,-0.7 -2,-0.0 -0.408 47.8 -83.6-103.5-178.6 54.4 -2.6 8.8 11 11 A S S S+ 0 0 49 92,-0.7 93,-0.1 1,-0.2 32,-0.0 0.880 123.5 4.5 -57.9 -44.6 52.6 -5.7 7.8 12 12 A S S S+ 0 0 53 91,-0.1 23,-2.3 22,-0.0 22,-0.3 0.295 127.1 53.3-125.3 10.6 55.2 -8.1 9.1 13 13 A S - 0 0 30 20,-0.2 -3,-2.8 21,-0.2 2,-0.4 -0.956 54.8-153.0-144.0 158.6 57.8 -5.9 10.7 14 14 A L E -BC 9 32A 0 18,-2.3 18,-2.9 -2,-0.3 2,-0.4 -0.967 13.6-162.9-132.0 118.5 58.1 -3.1 13.3 15 15 A K E -BC 8 31A 76 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.3 -0.855 13.6-178.2-101.2 137.4 61.0 -0.6 13.0 16 16 A Y E +BC 7 30A 12 14,-2.4 14,-2.2 -2,-0.4 2,-0.3 -0.958 8.2 172.9-134.4 150.4 61.8 1.4 16.1 17 17 A A E -BC 6 29A 0 -11,-1.8 -11,-3.0 -2,-0.3 2,-0.5 -0.985 27.0-143.2-151.1 150.7 64.3 4.1 16.9 18 18 A V E +BC 5 28A 0 10,-2.3 9,-3.1 -2,-0.3 10,-1.2 -0.985 39.3 179.1-112.5 118.8 65.1 6.5 19.7 19 19 A V E -BC 4 26A 0 -15,-2.8 -15,-2.5 -2,-0.5 7,-0.2 -0.932 36.8-143.4-129.5 140.1 66.2 9.7 18.1 20 20 A R > - 0 0 54 5,-3.1 4,-2.5 -2,-0.4 5,-0.4 -0.904 21.3-159.3 -97.4 107.5 67.3 13.2 19.1 21 21 A P T 4 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.802 82.6 55.0 -64.6 -27.1 65.6 15.3 16.4 22 22 A A T 4 S+ 0 0 76 -20,-0.4 -19,-0.0 1,-0.2 -2,-0.0 0.996 123.9 22.2 -68.7 -61.9 67.9 18.4 16.8 23 23 A S T 4 S- 0 0 66 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.726 99.6-128.6 -70.5 -26.3 71.3 16.6 16.3 24 24 A G < + 0 0 17 -4,-2.5 2,-0.1 1,-0.3 -2,-0.1 0.514 52.5 158.2 80.3 6.0 69.8 13.7 14.4 25 25 A E - 0 0 96 -5,-0.4 -5,-3.1 -6,-0.1 2,-0.5 -0.413 34.5-144.3 -64.4 133.1 71.6 11.3 16.8 26 26 A F E -C 19 0A 59 -7,-0.2 -7,-0.2 1,-0.1 3,-0.1 -0.900 15.2-174.8 -94.9 124.2 70.2 7.8 17.1 27 27 A L E S- 0 0 48 -9,-3.1 2,-0.3 -2,-0.5 -8,-0.2 0.719 75.0 -10.9 -87.0 -26.2 70.4 6.4 20.6 28 28 A A E -C 18 0A 15 -10,-1.2 -10,-2.3 2,-0.0 -1,-0.4 -0.966 62.0-179.9-164.3 159.2 69.0 3.0 19.5 29 29 A D E +C 17 0A 114 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.970 14.6 143.0-161.6 151.9 67.4 1.5 16.4 30 30 A G E -C 16 0A 20 -14,-2.2 -14,-2.4 -2,-0.3 2,-0.4 -0.988 32.2-125.5-174.3 176.6 66.1 -1.9 15.5 31 31 A I E -C 15 0A 62 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.987 7.2-150.2-143.6 134.0 63.5 -4.0 13.7 32 32 A I E -C 14 0A 10 -18,-2.9 -18,-2.3 -2,-0.4 3,-0.2 -0.913 31.2-170.5 -98.7 125.1 61.2 -6.8 14.8 33 33 A E + 0 0 118 -2,-0.5 -20,-0.2 -20,-0.2 7,-0.1 -0.645 50.9 36.0-118.1 170.7 60.6 -9.1 11.9 34 34 A E S > S+ 0 0 151 -22,-0.3 3,-0.8 -2,-0.2 6,-0.2 0.825 70.6 179.5 58.9 33.5 58.3 -12.1 10.9 35 35 A I T 3 + 0 0 9 -23,-2.3 -1,-0.2 -3,-0.2 8,-0.1 -0.460 51.0 62.4 -64.6 135.1 55.4 -10.7 12.9 36 36 A G T 3 S+ 0 0 54 4,-2.8 2,-0.3 1,-0.3 -1,-0.2 0.158 100.2 27.3 135.4 -13.0 52.3 -12.9 12.7 37 37 A S B X S+F 40 0B 87 -3,-0.8 3,-1.4 3,-0.7 -1,-0.3 -0.958 95.4 20.6-159.4 172.9 53.3 -16.2 14.2 38 38 A G T 3 S- 0 0 71 -2,-0.3 -2,-0.1 1,-0.3 -4,-0.0 -0.311 123.6 -7.8 66.1-135.8 55.6 -17.9 16.8 39 39 A A T 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.717 141.6 46.4 -70.8 -19.7 57.1 -15.7 19.5 40 40 A V B < +F 37 0B 25 -3,-1.4 -4,-2.8 -6,-0.2 -3,-0.7 -0.636 64.9 161.6-122.9 73.0 55.8 -12.5 17.8 41 41 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.745 66.6 -0.8 -66.8 -23.6 52.1 -13.3 17.0 42 42 A D S > S- 0 0 71 -5,-0.1 4,-2.0 -7,-0.1 -6,-0.1 -0.888 82.9 -86.9-156.0 177.9 51.1 -9.7 16.6 43 43 A H H > S+ 0 0 9 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.790 120.0 61.4 -72.5 -25.3 52.3 -6.1 16.8 44 44 A D H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.958 109.4 42.3 -59.6 -49.4 51.5 -5.9 20.5 45 45 A A H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.898 111.8 57.3 -63.9 -38.8 54.1 -8.6 21.0 46 46 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.922 107.2 45.0 -60.2 -45.7 56.4 -7.0 18.5 47 47 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.927 111.6 53.1 -70.4 -35.4 56.6 -3.6 20.3 48 48 A R H X S+ 0 0 102 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.918 109.5 50.1 -60.7 -39.4 57.1 -5.4 23.7 49 49 A A H X S+ 0 0 22 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.876 106.8 53.7 -66.7 -40.5 60.0 -7.3 22.0 50 50 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.908 108.2 50.5 -54.5 -43.9 61.4 -4.0 20.8 51 51 A F H X S+ 0 0 40 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 107.8 53.1 -66.6 -41.1 61.3 -2.8 24.4 52 52 A D H X S+ 0 0 115 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.898 109.0 50.1 -55.9 -42.7 63.1 -6.0 25.5 53 53 A E H X S+ 0 0 84 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.861 108.3 51.9 -63.0 -39.9 65.8 -5.2 22.9 54 54 A L H <>S+ 0 0 4 -4,-2.1 5,-2.9 2,-0.2 3,-0.3 0.958 113.1 45.2 -62.3 -47.1 66.2 -1.6 24.2 55 55 A A H ><5S+ 0 0 52 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.927 110.3 53.5 -60.8 -47.2 66.7 -3.0 27.7 56 56 A A H 3<5S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.9 52.0 -57.8 -31.0 69.1 -5.7 26.5 57 57 A A T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.399 125.8-103.1 -86.7 2.7 71.1 -2.9 24.8 58 58 A G T < 5S+ 0 0 51 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.595 76.0 139.0 86.5 15.6 71.2 -0.9 28.1 59 59 A L < - 0 0 31 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.808 30.3-173.6 -97.1 130.3 68.6 1.6 27.2 60 60 A H > - 0 0 82 -2,-0.5 3,-1.8 1,-0.1 4,-0.3 -0.961 12.1-159.4-124.3 111.6 66.0 2.7 29.7 61 61 A L G > S+ 0 0 20 -2,-0.5 3,-2.1 1,-0.3 5,-0.4 0.852 89.5 64.9 -63.3 -33.5 63.3 5.0 28.3 62 62 A E G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.659 98.2 56.2 -63.8 -18.2 62.4 6.3 31.8 63 63 A D G < S+ 0 0 121 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.477 96.2 85.3 -86.6 -5.9 65.9 7.9 32.0 64 64 A L S < S- 0 0 44 -3,-2.1 2,-1.9 -4,-0.3 -62,-0.1 -0.643 86.9-119.7-101.1 154.1 65.4 9.8 28.8 65 65 A D - 0 0 102 -64,-0.4 -62,-1.9 -2,-0.2 2,-0.4 -0.478 46.6-178.9 -83.1 60.7 63.8 13.1 28.2 66 66 A L E +a 3 0A 20 -2,-1.9 -62,-0.2 -5,-0.4 3,-0.1 -0.567 12.5 176.3 -69.7 120.4 61.2 11.4 25.9 67 67 A K E - 0 0 45 -64,-2.8 2,-0.3 -2,-0.4 -63,-0.2 0.644 58.6 -15.0 -99.7 -19.4 58.9 14.0 24.6 68 68 A A E -a 4 0A 5 -65,-0.6 -63,-2.0 54,-0.1 2,-0.4 -0.974 52.3-120.7-173.5 164.1 56.7 12.0 22.3 69 69 A V E -ad 5 124A 0 54,-1.9 56,-2.7 -2,-0.3 2,-0.4 -0.999 30.3-154.4-119.8 122.5 56.3 8.7 20.4 70 70 A G E -ad 6 125A 0 -65,-2.7 -63,-2.8 -2,-0.4 2,-0.4 -0.817 9.3-168.4-102.3 140.9 55.9 9.2 16.6 71 71 A H E -ad 7 126A 2 54,-2.7 56,-2.6 -2,-0.4 2,-0.5 -0.981 22.3-124.8-126.7 136.3 54.1 6.7 14.4 72 72 A R E - d 0 127A 40 -65,-1.6 2,-0.5 -2,-0.4 -63,-0.3 -0.689 28.9-177.3 -75.3 124.5 54.0 6.3 10.6 73 73 A M E - d 0 128A 0 54,-2.6 56,-1.6 -2,-0.5 57,-0.3 -0.993 12.0-164.3-122.0 125.8 50.4 6.4 9.4 74 74 A V S S+ 0 0 3 -2,-0.5 2,-0.5 1,-0.2 56,-0.3 0.953 71.3 29.4 -74.2 -48.8 49.9 5.9 5.7 75 75 A H + 0 0 0 26,-0.1 -1,-0.2 54,-0.1 22,-0.2 -0.961 44.5 153.6-123.7 123.6 46.4 7.1 5.1 76 76 A G > - 0 0 1 -2,-0.5 4,-2.0 1,-0.3 3,-0.5 0.212 42.3-147.5-120.5 11.8 44.3 9.7 7.0 77 77 A G T 4 - 0 0 6 1,-0.2 -1,-0.3 2,-0.2 53,-0.1 -0.176 56.7 -33.0 55.4-146.7 42.0 10.7 4.2 78 78 A K T 4 S+ 0 0 68 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.824 136.4 52.3 -74.3 -32.7 40.8 14.3 4.0 79 79 A T T 4 S+ 0 0 80 -3,-0.5 2,-0.6 1,-0.2 -2,-0.2 0.861 108.3 40.5 -79.9 -40.7 40.7 14.9 7.8 80 80 A F < + 0 0 21 -4,-2.0 -1,-0.2 1,-0.1 -4,-0.2 -0.938 62.2 115.7-119.4 109.9 44.1 13.9 9.0 81 81 A Y + 0 0 82 -2,-0.6 47,-0.6 -3,-0.1 50,-0.3 0.471 57.4 78.5-135.9 -33.5 47.2 14.8 7.1 82 82 A K S S- 0 0 49 1,-0.1 44,-0.1 45,-0.1 2,-0.1 -0.410 105.9 -76.8 -68.8 157.9 49.2 17.2 9.2 83 83 A P - 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0 0 49 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.365 25.7-115.5 -71.2 157.5 36.8 -12.3 -6.0 242 242 A V H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 118.2 52.6 -61.9 -41.0 37.6 -8.7 -5.9 243 243 A D H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 110.2 49.1 -59.7 -41.8 39.3 -9.1 -2.5 244 244 A D H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.881 109.4 50.7 -69.6 -35.0 41.5 -11.8 -3.9 245 245 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.950 111.7 48.8 -62.9 -48.8 42.4 -9.7 -7.0 246 246 A E H X S+ 0 0 15 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.932 111.1 50.0 -56.2 -43.2 43.4 -6.9 -4.6 247 247 A S H X S+ 0 0 42 -4,-2.4 4,-2.8 1,-0.2 5,-0.5 0.909 110.7 50.1 -63.3 -41.3 45.4 -9.3 -2.5 248 248 A M H X S+ 0 0 5 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.920 111.4 47.5 -62.1 -45.2 47.2 -10.6 -5.6 249 249 A L H < S+ 0 0 1 -4,-2.7 -26,-1.8 1,-0.2 -25,-0.3 0.757 120.8 37.9 -67.7 -26.1 48.0 -7.1 -6.8 250 250 A N H < S+ 0 0 8 -4,-1.7 -2,-0.2 -28,-0.2 -1,-0.2 0.765 133.2 18.4 -91.7 -32.6 49.3 -6.1 -3.3 251 251 A R H < S+ 0 0 109 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.626 127.5 37.8-119.4 -21.8 51.1 -9.3 -2.2 252 252 A R S < S+ 0 0 114 -4,-1.9 270,-0.3 -5,-0.5 2,-0.2 -0.118 103.9 70.4-130.8 34.0 51.8 -11.6 -5.2 253 253 A S >> + 0 0 0 -32,-2.2 4,-2.2 268,-0.2 3,-0.8 -0.472 67.8 52.3-128.3-158.1 52.7 -9.1 -7.9 254 254 A G H 3> S- 0 0 1 266,-2.6 4,-2.5 1,-0.2 5,-0.5 -0.280 121.4 -21.4 64.9-153.9 55.7 -6.8 -8.5 255 255 A V H 3> S+ 0 0 3 -36,-2.6 4,-1.8 3,-0.2 6,-1.1 0.838 144.3 51.1 -57.7 -36.1 59.2 -8.2 -8.5 256 256 A L H <> S+ 0 0 59 -36,-2.5 4,-1.9 -3,-0.8 -2,-0.2 0.971 113.8 39.7 -66.3 -55.5 57.9 -11.2 -6.4 257 257 A G H < S+ 0 0 16 -4,-2.2 266,-2.1 -37,-0.2 267,-0.3 0.914 129.8 30.3 -64.5 -42.1 54.9 -12.2 -8.6 258 258 A L H < S+ 0 0 7 -4,-2.5 -3,-0.2 264,-0.2 -1,-0.2 0.913 132.6 29.6 -83.9 -41.8 56.7 -11.6 -11.8 259 259 A G H < S- 0 0 2 -4,-1.8 -3,-0.2 -5,-0.5 -2,-0.2 0.547 92.8-126.6-100.9 -13.2 60.3 -12.4 -10.9 260 260 A G < + 0 0 56 -4,-1.9 2,-0.5 -5,-0.3 -4,-0.2 0.734 65.6 133.2 69.6 25.1 59.9 -15.0 -8.1 261 261 A A - 0 0 2 -6,-1.1 -1,-0.2 -41,-0.1 -2,-0.2 -0.944 52.9-152.7-114.9 125.9 62.2 -12.9 -5.9 262 262 A S S S- 0 0 93 -2,-0.5 2,-0.3 -3,-0.1 -6,-0.1 0.672 82.4 -4.2 -65.2 -22.2 61.3 -12.1 -2.3 263 263 A D S > S- 0 0 66 -8,-0.1 4,-2.2 -7,-0.1 3,-0.2 -0.974 81.6 -90.7-163.3 172.0 63.3 -8.9 -2.5 264 264 A F H > S+ 0 0 22 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.809 119.5 54.4 -65.0 -33.0 65.6 -6.9 -4.8 265 265 A R H > S+ 0 0 223 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 111.7 46.4 -59.5 -46.4 68.9 -8.4 -3.6 266 266 A K H > S+ 0 0 31 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.872 109.0 56.3 -62.8 -39.3 67.5 -11.9 -4.3 267 267 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.945 108.1 46.2 -59.5 -47.8 66.3 -10.6 -7.7 268 268 A R H X S+ 0 0 69 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.912 110.6 54.0 -64.7 -38.3 69.7 -9.5 -8.7 269 269 A E H X S+ 0 0 62 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.913 108.9 48.7 -60.7 -43.7 71.2 -12.8 -7.5 270 270 A L H <>S+ 0 0 50 -4,-2.4 5,-2.6 2,-0.2 4,-0.3 0.879 110.0 52.0 -60.9 -44.2 68.7 -14.8 -9.7 271 271 A I H ><5S+ 0 0 32 -4,-2.2 3,-1.5 3,-0.2 -2,-0.2 0.925 108.2 50.2 -58.7 -45.1 69.6 -12.6 -12.7 272 272 A E H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.9 54.9 -65.6 -31.4 73.3 -13.3 -12.2 273 273 A S T 3<5S- 0 0 90 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.461 125.7-102.7 -76.3 -5.1 72.5 -17.0 -12.0 274 274 A G T < 5 + 0 0 57 -3,-1.5 2,-0.8 -4,-0.3 -3,-0.2 0.675 61.0 162.4 92.6 22.2 70.7 -16.8 -15.4 275 275 A D >< - 0 0 48 -5,-2.6 4,-1.9 1,-0.2 -1,-0.2 -0.649 22.6-163.9 -78.5 112.6 67.0 -16.8 -14.3 276 276 A E H > S+ 0 0 165 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.853 86.7 54.3 -69.2 -35.8 65.1 -15.5 -17.3 277 277 A H H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 108.3 49.0 -61.8 -44.1 62.0 -14.8 -15.3 278 278 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 111.2 50.6 -63.8 -40.0 63.9 -12.6 -12.8 279 279 A K H X S+ 0 0 87 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.907 109.4 49.7 -63.9 -43.3 65.6 -10.7 -15.6 280 280 A L H X S+ 0 0 29 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.930 110.2 51.7 -64.1 -39.1 62.2 -10.0 -17.3 281 281 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.921 110.5 47.7 -63.2 -42.5 60.9 -8.8 -13.9 282 282 A Y H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.921 111.7 50.6 -62.6 -42.0 63.8 -6.4 -13.6 283 283 A D H X S+ 0 0 45 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.874 110.4 49.3 -67.6 -34.1 63.3 -5.2 -17.2 284 284 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.928 111.4 50.0 -67.0 -43.0 59.6 -4.5 -16.5 285 285 A Y H X S+ 0 0 6 -4,-2.4 4,-2.0 -5,-0.2 -67,-0.3 0.923 114.3 43.9 -60.1 -45.9 60.6 -2.6 -13.3 286 286 A I H X S+ 0 0 11 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.916 110.6 54.6 -69.4 -42.1 63.1 -0.5 -15.2 287 287 A H H X S+ 0 0 28 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.936 111.3 45.1 -55.2 -45.6 60.8 0.1 -18.1 288 288 A R H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.888 113.1 50.5 -66.9 -43.3 58.1 1.4 -15.8 289 289 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.913 108.4 51.7 -62.1 -45.4 60.6 3.6 -13.9 290 290 A R H X S+ 0 0 33 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.898 107.9 53.5 -56.8 -42.2 62.0 5.1 -17.1 291 291 A K H X S+ 0 0 23 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.927 109.0 47.7 -64.5 -41.3 58.5 6.0 -18.1 292 292 A Y H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.882 111.0 51.5 -66.1 -35.2 57.8 7.8 -14.9 293 293 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.963 113.7 43.9 -64.6 -49.8 61.1 9.7 -15.1 294 294 A G H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 377,-0.3 0.916 113.0 53.1 -58.4 -46.8 60.3 10.8 -18.6 295 295 A A H X S+ 0 0 6 -4,-2.7 4,-2.2 375,-0.3 -1,-0.2 0.926 110.2 45.5 -54.7 -46.9 56.7 11.7 -17.6 296 296 A Y H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.826 106.6 59.2 -76.1 -23.9 57.7 13.9 -14.8 297 297 A M H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.904 108.4 46.9 -64.2 -39.5 60.4 15.6 -16.9 298 298 A A H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.900 111.6 50.9 -67.6 -36.7 57.5 16.6 -19.2 299 299 A V H < S+ 0 0 26 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.940 116.7 39.2 -63.3 -48.6 55.5 17.7 -16.1 300 300 A L H < S- 0 0 20 -4,-2.9 2,-2.0 1,-0.2 -1,-0.2 0.797 87.5-159.1 -71.3 -30.8 58.3 19.9 -14.8 301 301 A G S < S+ 0 0 6 -4,-2.2 2,-0.5 -5,-0.2 404,-0.3 -0.425 81.1 43.0 80.8 -63.3 59.3 21.1 -18.3 302 302 A R S S- 0 0 126 -2,-2.0 2,-0.5 -3,-0.1 401,-0.0 -0.984 78.6-163.8-109.6 123.7 62.7 22.0 -17.0 303 303 A T + 0 0 13 -2,-0.5 -118,-0.2 1,-0.1 3,-0.1 -0.942 14.5 175.7-109.3 120.0 64.3 19.4 -14.7 304 304 A D + 0 0 20 -120,-2.5 53,-2.6 -2,-0.5 2,-0.3 0.826 65.8 12.2 -85.6 -37.4 67.2 20.5 -12.5 305 305 A V E -hj 185 357C 0 -121,-1.5 -119,-2.4 51,-0.2 2,-0.4 -0.999 48.5-162.6-150.4 141.3 67.8 17.3 -10.4 306 306 A I E -hj 186 358C 0 51,-2.3 53,-3.0 -2,-0.3 2,-0.4 -0.999 20.7-170.0-119.9 127.2 66.9 13.7 -10.2 307 307 A S E -hj 187 359C 0 -121,-2.6 -119,-2.9 -2,-0.4 2,-0.3 -0.978 11.4-149.9-124.9 137.9 67.5 12.0 -6.8 308 308 A F E +hj 188 360C 0 51,-2.4 53,-2.5 -2,-0.4 2,-0.3 -0.793 26.1 162.2-100.6 142.5 67.3 8.3 -5.9 309 309 A T E > +h 189 0C 0 -121,-2.6 -119,-2.5 -2,-0.3 4,-0.8 -0.897 26.5 49.6-150.6 174.6 66.4 7.2 -2.3 310 310 A A H > S- 0 0 8 -2,-0.3 4,-2.8 -121,-0.2 5,-0.3 -0.073 99.9 -45.0 75.1-179.7 65.2 4.2 -0.2 311 311 A G H > S+ 0 0 43 1,-0.2 4,-1.0 2,-0.2 -120,-0.2 0.878 139.3 30.5 -53.5 -48.7 66.6 0.7 -0.1 312 312 A V H > S+ 0 0 13 -122,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.905 120.0 53.5 -75.4 -45.7 67.0 0.0 -3.8 313 313 A G H < S+ 0 0 0 -123,-1.6 -3,-0.2 -4,-0.8 -2,-0.2 0.855 115.1 40.1 -56.7 -36.8 67.6 3.6 -4.8 314 314 A E H < S+ 0 0 36 -4,-2.8 -1,-0.2 -124,-0.3 29,-0.2 0.777 126.8 30.6 -82.5 -27.4 70.5 4.0 -2.3 315 315 A N H < S+ 0 0 94 -4,-1.0 -2,-0.2 -5,-0.3 -3,-0.2 0.452 99.3 73.9-122.1 -4.8 72.1 0.6 -2.8 316 316 A V >X - 0 0 23 -4,-2.1 4,-1.3 1,-0.2 3,-1.3 -0.746 46.0-178.5-121.8 89.3 71.7 -0.7 -6.3 317 317 A P H 3> S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.867 81.0 61.7 -54.2 -39.3 73.8 1.0 -8.9 318 318 A P H 3> S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.841 101.0 52.6 -59.2 -31.4 72.5 -1.0 -11.8 319 319 A V H <> S+ 0 0 0 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.936 111.6 46.2 -67.3 -41.6 68.9 0.3 -11.3 320 320 A R H X S+ 0 0 2 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.925 115.9 46.4 -67.5 -41.6 70.2 3.9 -11.4 321 321 A R H >X S+ 0 0 98 -4,-2.6 4,-1.4 1,-0.2 3,-0.6 0.963 116.7 42.1 -62.5 -53.2 72.2 3.2 -14.5 322 322 A D H 3< S+ 0 0 39 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.836 110.0 56.9 -70.0 -32.2 69.5 1.3 -16.4 323 323 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.813 121.2 29.0 -65.6 -28.8 66.7 3.8 -15.4 324 324 A L H X< S+ 0 0 3 -4,-1.1 3,-1.0 -3,-0.6 -2,-0.2 0.452 88.0 124.2-118.5 -1.5 68.8 6.7 -17.0 325 325 A A T 3< S+ 0 0 48 -4,-1.4 8,-0.1 1,-0.2 -3,-0.0 -0.209 75.1 17.5 -60.4 145.8 70.8 5.1 -19.7 326 326 A G T 3 S+ 0 0 62 1,-0.1 3,-0.3 6,-0.0 -1,-0.2 0.716 87.5 118.2 69.0 20.5 70.5 6.5 -23.3 327 327 A L X > + 0 0 1 -3,-1.0 5,-1.8 5,-0.3 3,-1.8 0.013 23.7 119.6-109.5 26.6 69.0 9.8 -22.2 328 328 A G G > 5S+ 0 0 46 1,-0.3 3,-1.7 3,-0.2 -1,-0.2 0.856 72.6 62.6 -55.8 -36.5 71.6 12.2 -23.4 329 329 A G G 3 5S+ 0 0 45 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.651 103.7 48.6 -60.8 -19.6 68.9 13.7 -25.6 330 330 A L G < 5S- 0 0 8 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.226 126.6-100.1-105.9 13.1 67.1 14.7 -22.4 331 331 A G T < 5S+ 0 0 4 -3,-1.7 25,-3.3 1,-0.2 2,-0.5 0.711 81.1 128.1 82.9 22.3 70.2 16.2 -20.8 332 332 A I < + 0 0 4 -5,-1.8 2,-0.3 23,-0.2 -5,-0.3 -0.951 24.3 164.9-119.4 128.1 71.1 13.2 -18.5 333 333 A E - 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0 0 100 -2,-0.4 18,-2.1 23,-0.4 2,-0.3 -0.932 23.0-145.2-143.8 119.2 59.3 23.9 -29.8 710 334 B I B -W 726 0G 23 -2,-0.3 2,-0.7 16,-0.3 16,-0.3 -0.636 11.4-138.6 -78.1 135.9 56.0 24.5 -31.4 711 335 B D > - 0 0 42 14,-2.8 4,-2.9 -2,-0.3 5,-0.2 -0.885 15.6-157.5 -89.8 111.7 55.7 27.1 -34.2 712 336 B D H > S+ 0 0 89 -2,-0.7 4,-1.9 2,-0.2 -1,-0.1 0.856 88.2 51.2 -66.7 -36.8 52.4 28.8 -33.3 713 337 B A H > S+ 0 0 80 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.938 114.9 43.6 -64.1 -45.5 51.7 30.2 -36.7 714 338 B L H >4 S+ 0 0 66 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.925 112.9 52.2 -64.4 -43.1 52.2 26.7 -38.3 715 339 B N H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 10,-0.3 -2,-0.2 0.862 111.5 46.8 -62.6 -33.8 50.2 25.0 -35.5 716 340 B S H 3< S+ 0 0 68 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.595 83.5 126.1 -85.9 -11.8 47.3 27.4 -36.1 717 341 B A << - 0 0 45 -4,-0.9 2,-0.7 -3,-0.7 -3,-0.0 -0.114 67.2-121.4 -48.5 136.6 47.2 27.0 -39.9 718 342 B K + 0 0 105 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.793 63.4 128.0 -80.2 116.7 43.9 26.0 -41.4 719 343 B S - 0 0 40 -2,-0.7 4,-0.1 -3,-0.1 0, 0.0 -0.933 51.3-160.5-172.2 145.5 44.9 22.8 -43.2 720 344 B D + 0 0 126 -2,-0.3 3,-0.0 2,-0.1 -2,-0.0 0.118 66.6 102.1-115.0 14.2 44.0 19.2 -43.6 721 345 B E S S- 0 0 128 1,-0.1 15,-0.1 16,-0.1 -2,-0.0 -0.700 87.6 -89.3-102.1 153.2 47.3 18.1 -45.0 722 346 B P + 0 0 50 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.374 69.2 162.0 -51.5 133.7 50.3 16.3 -43.4 723 347 B R E -V 736 0F 27 13,-2.3 13,-2.5 -4,-0.1 2,-0.3 -0.996 42.7-101.8-165.0 154.4 52.3 19.2 -42.1 724 348 B L E +V 735 0F 70 -2,-0.3 11,-0.2 11,-0.2 9,-0.0 -0.661 26.9 170.9 -84.2 135.9 55.0 20.6 -39.9 725 349 B I + 0 0 0 9,-2.9 -14,-2.8 -2,-0.3 -10,-0.3 0.359 51.6 88.5-123.7 4.0 54.1 22.4 -36.7 726 350 B S B S-W 710 0G 3 8,-0.9 -16,-0.3 -16,-0.3 7,-0.1 -0.660 79.2-104.1 -99.8 160.2 57.5 22.8 -35.0 727 351 B T > - 0 0 21 -18,-2.1 3,-1.6 -2,-0.2 -18,-0.1 -0.313 34.5-105.1 -73.2 160.3 60.0 25.6 -35.4 728 352 B P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.842 121.1 49.5 -55.8 -33.4 63.2 25.2 -37.4 729 353 B D T 3 S+ 0 0 139 -21,-0.0 2,-0.4 -20,-0.0 3,-0.1 0.436 79.3 118.0 -89.2 0.3 65.4 25.0 -34.3 730 354 B S < - 0 0 14 -3,-1.6 -22,-0.2 -21,-0.2 -4,-0.1 -0.554 55.3-154.5 -67.7 121.9 63.2 22.3 -32.6 731 355 B R S S+ 0 0 154 -24,-0.5 2,-0.4 -2,-0.4 -23,-0.2 0.891 84.3 57.7 -66.2 -38.3 65.4 19.3 -32.2 732 356 B V S S- 0 0 7 -25,-2.9 -23,-0.4 -3,-0.1 2,-0.4 -0.793 89.5-132.6 -90.5 129.6 62.3 17.1 -32.3 733 357 B T E -u 681 0F 27 -53,-2.5 -51,-2.5 -2,-0.4 2,-0.5 -0.723 19.9-158.2 -83.7 131.5 60.2 17.4 -35.4 734 358 B V E +u 682 0F 0 -2,-0.4 -9,-2.9 -53,-0.2 -8,-0.9 -0.951 16.6 175.9-117.2 127.8 56.5 17.8 -34.6 735 359 B L E -uV 683 724F 0 -53,-3.0 -51,-2.5 -2,-0.5 2,-0.5 -0.823 34.4-138.4-125.2 158.2 53.9 16.9 -37.2 736 360 B V E +uV 684 723F 0 -13,-2.5 -13,-2.3 -2,-0.3 -51,-0.2 -0.998 30.3 176.1-106.1 127.2 50.2 16.6 -37.9 737 361 B V - 0 0 2 -53,-2.3 -51,-0.2 -2,-0.5 -189,-0.1 -0.907 25.1-132.9-135.0 100.6 49.7 13.5 -40.0 738 362 B P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -53,-0.1 -0.247 18.4-124.6 -58.9 140.6 46.0 12.6 -40.7 739 363 B T - 0 0 35 1,-0.0 2,-0.1 -196,-0.0 -199,-0.1 -0.491 18.5-167.6 -77.4 150.4 44.9 9.0 -40.2 740 364 B N > + 0 0 45 -2,-0.2 4,-2.3 -201,-0.1 5,-0.1 -0.627 14.5 167.6-141.1 78.9 43.2 7.1 -43.0 741 365 B E H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 77.0 55.8 -61.3 -38.6 41.7 4.0 -41.6 742 366 B E H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 109.4 45.5 -65.2 -41.2 39.7 3.2 -44.7 743 367 B L H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 113.6 51.3 -66.4 -41.1 42.8 3.2 -46.9 744 368 B A H X S+ 0 0 18 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.915 111.6 44.9 -63.9 -44.7 44.7 1.1 -44.3 745 369 B I H X S+ 0 0 2 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.919 112.1 54.0 -63.7 -44.6 41.9 -1.6 -44.1 746 370 B A H >X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 3,-0.6 0.930 110.6 44.9 -55.2 -48.7 41.6 -1.6 -47.9 747 371 B R H >< S+ 0 0 109 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.859 108.0 58.7 -65.7 -31.2 45.3 -2.3 -48.3 748 372 B A H 3< S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.736 99.0 59.9 -74.6 -19.9 45.3 -4.9 -45.6 749 373 B C H X< S+ 0 0 8 -4,-1.3 3,-1.7 -3,-0.6 -1,-0.2 0.809 79.8 107.8 -70.0 -31.6 42.7 -6.9 -47.5 750 374 B V T << S+ 0 0 85 -4,-0.8 -3,-0.0 -3,-0.7 -370,-0.0 -0.245 91.4 0.3 -58.5 124.5 44.9 -7.4 -50.5 751 375 B G T 3 0 0 84 1,-0.2 -1,-0.2 -2,-0.0 -2,-0.1 0.264 360.0 360.0 89.2 -11.3 46.2 -10.9 -50.9 752 376 B V < 0 0 78 -3,-1.7 -1,-0.2 -4,-0.1 -292,-0.1 -0.379 360.0 360.0 -66.8 360.0 44.5 -12.4 -47.9