==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALKALINE PHOSPHATASE 06-SEP-95 1ANJ . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.MURPHY,T.T.TIBBITTS,E.R.KANTROWITZ . 892 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 53 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 2 10 2 0 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 6 0 4 2 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 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 2 0 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 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 4 A M 0 0 72 0, 0.0 32,-0.2 0, 0.0 356,-0.1 0.000 360.0 360.0 360.0 102.9 67.5 47.2 10.5 2 5 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.273 360.0-148.0 -69.2 151.0 64.0 46.7 11.9 3 6 A V - 0 0 19 72,-0.1 2,-0.8 416,-0.1 72,-0.2 -0.882 40.3 -97.5-112.6 143.7 63.0 46.6 15.6 4 7 A L - 0 0 22 70,-2.5 3,-0.2 -2,-0.4 69,-0.0 -0.586 41.2-169.3 -67.9 108.1 60.0 44.4 16.4 5 8 A E - 0 0 127 -2,-0.8 2,-0.2 1,-0.3 -1,-0.2 0.874 66.8 -1.0 -72.2 -32.5 57.4 47.1 16.5 6 9 A N + 0 0 87 -3,-0.1 -1,-0.3 15,-0.1 64,-0.0 -0.734 49.6 162.2-166.8 111.4 54.7 44.9 18.0 7 10 A R + 0 0 14 -2,-0.2 2,-0.2 -3,-0.2 15,-0.1 -0.276 41.7 130.2-116.2 35.3 54.6 41.3 19.0 8 11 A A S S- 0 0 19 1,-0.1 59,-0.2 60,-0.1 60,-0.1 -0.592 79.1 -76.4 -84.2 157.6 51.5 41.6 21.3 9 12 A A - 0 0 21 57,-3.5 12,-0.2 -2,-0.2 10,-0.2 -0.279 47.5-137.6 -52.3 129.8 48.7 39.0 20.8 10 13 A Q - 0 0 89 10,-3.1 2,-0.2 7,-0.2 9,-0.2 0.610 63.8 -23.9 -73.1 -13.6 47.0 40.4 17.6 11 14 A G S S- 0 0 46 7,-2.7 2,-0.9 9,-0.2 7,-0.1 -0.635 107.4 -4.8-160.2-140.8 43.3 39.9 18.6 12 15 A D > - 0 0 98 -2,-0.2 3,-2.2 1,-0.2 6,-0.4 -0.652 54.1-152.8 -74.8 107.6 40.8 38.2 20.7 13 16 A I T 3 S+ 0 0 31 -2,-0.9 545,-0.6 1,-0.3 6,-0.3 0.697 91.2 60.5 -56.8 -19.2 42.9 35.6 22.5 14 17 A T T 3 S+ 0 0 24 4,-0.1 554,-0.4 543,-0.1 -1,-0.3 0.576 97.1 72.3 -84.2 -10.1 39.9 33.3 22.8 15 18 A A S X S- 0 0 33 -3,-2.2 3,-2.2 1,-0.1 4,-0.4 -0.732 100.0 -78.4-102.6 165.7 39.3 33.0 19.0 16 19 A P T 3 S+ 0 0 70 0, 0.0 541,-0.2 0, 0.0 -4,-0.1 -0.220 117.7 3.7 -59.7 127.0 41.3 31.1 16.4 17 20 A G T > S+ 0 0 14 539,-2.3 3,-1.1 -4,-0.1 -7,-0.2 0.310 99.7 112.3 80.3 -9.2 44.4 33.1 15.5 18 21 A G T < S+ 0 0 8 -3,-2.2 -7,-2.7 -6,-0.4 -5,-0.3 0.686 73.2 51.2 -71.0 -27.4 43.7 35.8 18.1 19 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.2 537,-0.3 862,-0.2 0.426 82.5 125.4 -86.2 -5.6 46.6 35.0 20.3 20 23 A R < - 0 0 65 -3,-1.1 -10,-3.1 536,-0.2 -9,-0.2 -0.291 42.6-168.1 -55.9 146.1 49.1 35.1 17.4 21 24 A R S S+ 0 0 2 -12,-0.2 2,-0.3 857,-0.2 -1,-0.1 0.531 70.8 66.7-108.3 -23.8 52.1 37.5 17.9 22 25 A L - 0 0 7 1,-0.1 -12,-0.1 856,-0.1 3,-0.1 -0.717 54.4-171.0 -96.5 160.2 53.2 37.3 14.2 23 26 A T S S- 0 0 107 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.363 71.2 -9.9-126.0 -5.2 51.2 38.6 11.3 24 27 A G S S- 0 0 32 848,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.965 94.7 -45.2-174.1-178.3 53.3 37.2 8.6 25 28 A D - 0 0 69 -2,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.455 39.6-157.2 -66.7 140.0 56.5 35.4 7.6 26 29 A Q > + 0 0 27 843,-0.2 4,-2.4 -2,-0.2 5,-0.3 0.504 63.5 99.6 -98.9 -8.7 59.6 36.8 9.2 27 30 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 85.7 47.0 -45.7 -49.5 62.4 35.6 6.9 28 31 A A H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 112.5 49.2 -64.5 -43.5 62.7 38.9 5.1 29 32 A A H 4 S+ 0 0 38 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.3 49.9 -59.5 -42.5 62.8 40.9 8.3 30 33 A L H >< S+ 0 0 10 -4,-2.4 3,-1.4 2,-0.2 4,-0.4 0.884 107.4 54.9 -65.9 -36.0 65.4 38.6 9.8 31 34 A R H >< S+ 0 0 99 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.957 105.3 53.4 -63.9 -37.1 67.5 39.0 6.6 32 35 A D T 3< S+ 0 0 108 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.494 103.4 58.9 -74.8 -1.3 67.3 42.8 7.1 33 36 A S T < S+ 0 0 6 -3,-1.4 2,-0.6 -32,-0.2 -1,-0.3 0.457 82.9 95.9-104.7 -7.2 68.7 42.4 10.7 34 37 A L < + 0 0 14 -3,-1.5 2,-0.3 -4,-0.4 -4,-0.0 -0.793 44.6 150.2 -89.5 122.4 71.9 40.7 9.7 35 38 A S - 0 0 22 -2,-0.6 387,-2.9 385,-0.3 388,-0.3 -0.893 30.4-173.3-155.7 125.1 75.0 43.0 9.4 36 39 A D + 0 0 78 -2,-0.3 3,-0.1 385,-0.2 -1,-0.1 0.184 49.1 125.0-100.6 15.2 78.6 42.5 10.0 37 40 A K S S- 0 0 71 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.351 74.0 -85.1 -69.2 155.7 79.6 46.0 9.5 38 41 A P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 405,-0.2 -0.271 37.0-124.0 -59.9 157.0 81.5 47.5 12.5 39 42 A A - 0 0 6 403,-2.8 320,-0.2 1,-0.2 3,-0.1 -0.884 15.3-167.3-105.2 126.7 79.8 48.9 15.5 40 43 A K S S+ 0 0 84 318,-2.0 2,-0.3 -2,-0.5 319,-0.2 0.914 76.8 16.5 -78.6 -43.7 80.6 52.4 16.4 41 44 A N E -a 359 0A 2 317,-1.9 319,-1.7 272,-0.2 2,-0.4 -0.806 62.7-155.9-124.8 167.0 78.9 52.1 19.8 42 45 A I E -ab 360 315A 0 272,-1.8 274,-2.3 -2,-0.3 2,-0.5 -0.996 3.6-171.5-144.7 131.2 77.7 49.4 22.2 43 46 A I E -ab 361 316A 0 317,-2.4 319,-2.3 -2,-0.4 2,-0.6 -0.983 10.1-166.9-123.1 115.4 75.0 49.7 24.9 44 47 A L E -ab 362 317A 0 272,-2.4 274,-2.7 -2,-0.5 2,-0.6 -0.925 3.1-162.9-104.9 115.4 74.9 46.5 27.1 45 48 A L E -ab 363 318A 0 317,-4.0 319,-2.6 -2,-0.6 2,-0.5 -0.914 5.0-165.8-101.9 127.5 71.7 46.3 29.3 46 49 A I E -ab 364 319A 0 272,-2.8 274,-2.0 -2,-0.6 2,-0.7 -0.905 13.5-161.3-116.3 121.8 71.8 43.9 32.2 47 50 A G E > -ab 365 320A 0 317,-3.5 3,-1.7 -2,-0.5 2,-0.7 -0.856 30.4-129.0 -91.3 116.6 68.8 42.8 34.2 48 51 A D T 3 S- 0 0 3 272,-2.3 276,-0.2 -2,-0.7 3,-0.1 -0.583 89.7 -9.1 -73.3 111.9 70.3 41.4 37.4 49 52 A G T 3 S+ 0 0 0 -2,-0.7 2,-2.0 318,-0.2 -1,-0.3 0.591 93.5 148.3 78.4 10.9 68.8 37.9 37.9 50 53 A M < + 0 0 4 -3,-1.7 -3,-0.2 314,-0.1 -1,-0.2 -0.412 19.1 161.6 -81.8 73.2 66.4 38.7 35.0 51 54 A G > - 0 0 2 -2,-2.0 4,-2.1 316,-0.1 3,-0.3 -0.117 60.3 -82.5 -80.2 179.0 66.0 35.2 33.6 52 55 A D H > S+ 0 0 9 1,-0.2 4,-2.4 361,-0.2 808,-0.6 0.872 130.8 54.8 -52.4 -34.4 63.2 34.0 31.4 53 56 A S H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.935 107.1 48.5 -65.4 -42.8 60.9 33.5 34.4 54 57 A E H > S+ 0 0 3 -3,-0.3 4,-2.1 -5,-0.2 -1,-0.2 0.906 112.1 49.7 -63.7 -41.5 61.4 37.1 35.6 55 58 A I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.951 112.0 48.4 -64.1 -44.6 60.7 38.5 32.2 56 59 A T H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 112.2 46.8 -65.7 -38.3 57.4 36.4 31.8 57 60 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.936 113.1 49.4 -73.0 -43.1 56.0 37.3 35.2 58 61 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.3 0.867 112.3 48.0 -60.6 -41.8 56.8 40.9 34.7 59 62 A R H X>S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-1.3 0.941 110.6 51.2 -63.1 -50.2 55.1 40.9 31.3 60 63 A N H X5S+ 0 0 4 -4,-2.4 4,-0.6 3,-0.2 330,-0.5 0.910 115.9 42.0 -52.9 -45.2 52.0 39.0 32.7 61 64 A Y H <5S+ 0 0 23 -4,-2.3 329,-2.1 328,-0.2 -2,-0.2 0.962 125.9 29.1 -69.9 -54.4 51.5 41.5 35.5 62 65 A A H <5S+ 0 0 23 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.777 138.2 16.7 -81.0 -33.7 52.2 44.7 33.6 63 66 A E H <5S- 0 0 50 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.526 105.1-113.2-116.9 -9.3 51.2 44.1 30.1 64 67 A G ><< - 0 0 0 -5,-1.3 3,-2.6 -4,-0.6 -3,-0.1 0.115 43.0 -69.2 91.4 157.0 49.0 40.9 30.4 65 68 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.1 -5,-0.2 466,-0.1 0.815 137.8 40.1 -52.1 -32.3 49.9 37.4 29.0 66 69 A G T 3 S+ 0 0 14 -3,-0.1 -57,-3.5 -6,-0.1 -1,-0.3 0.237 97.2 110.7-104.2 12.4 49.4 38.6 25.4 67 70 A G < - 0 0 10 -3,-2.6 2,-0.3 -59,-0.2 -3,-0.1 -0.159 58.2-136.9 -78.2 179.3 51.1 41.9 26.0 68 71 A F - 0 0 10 -5,-0.1 2,-0.7 -60,-0.1 -60,-0.1 -0.980 9.1-134.1-142.3 136.7 54.5 43.0 24.7 69 72 A F > - 0 0 0 -2,-0.3 4,-1.1 1,-0.1 5,-0.2 -0.912 16.9-150.7 -91.5 119.8 57.4 44.9 26.3 70 73 A K T 4 S+ 0 0 114 -2,-0.7 -1,-0.1 3,-0.1 -66,-0.0 0.682 92.5 30.6 -65.5 -17.7 58.3 47.6 23.8 71 74 A G T >4 S+ 0 0 0 2,-0.1 3,-1.3 3,-0.1 4,-0.5 0.821 124.3 35.8-101.0 -65.9 61.8 47.5 25.1 72 75 A I T 34 S+ 0 0 0 1,-0.3 3,-0.4 2,-0.2 -2,-0.1 0.806 124.2 41.1 -57.9 -39.8 62.7 44.0 26.4 73 76 A D T 3< S+ 0 0 1 -4,-1.1 803,-0.4 1,-0.2 -1,-0.3 0.435 97.8 77.4 -93.0 1.7 60.8 42.1 23.8 74 77 A A < + 0 0 0 -3,-1.3 -70,-2.5 -5,-0.2 -1,-0.2 0.627 61.9 104.2 -87.6 -18.8 61.6 44.2 20.8 75 78 A L - 0 0 1 -4,-0.5 801,-0.2 -3,-0.4 344,-0.2 -0.466 58.4-155.8 -62.1 125.1 65.2 42.9 20.1 76 79 A P S S+ 0 0 6 0, 0.0 2,-0.6 0, 0.0 343,-0.1 0.802 70.7 65.8 -82.8 -24.7 64.9 40.7 17.1 77 80 A L E +C 418 0A 2 341,-1.7 341,-2.3 797,-0.1 2,-0.3 -0.870 68.0 168.5-100.8 119.2 68.0 38.3 17.4 78 81 A T E +C 417 0A 0 -2,-0.6 350,-0.7 447,-0.4 447,-0.5 -0.964 9.2 147.8-128.0 160.8 67.7 36.2 20.4 79 82 A G E -Cd 416 428A 0 337,-2.2 337,-1.5 -2,-0.3 2,-0.4 -0.785 39.0 -99.5-164.1-162.8 69.4 33.1 21.9 80 83 A Q E -Cd 415 429A 0 348,-2.5 350,-1.6 335,-0.2 2,-0.3 -0.996 29.7-164.7-137.1 139.2 70.3 31.5 25.2 81 84 A Y E -Cd 414 430A 0 333,-2.4 333,-1.5 -2,-0.4 2,-0.3 -0.910 16.3-126.9-131.1 151.4 73.6 31.5 27.0 82 85 A T E - d 0 431A 6 348,-2.1 350,-2.4 -2,-0.3 331,-0.1 -0.699 18.0-177.8 -88.8 146.2 75.3 29.5 29.8 83 86 A H + 0 0 3 328,-0.3 14,-0.2 -2,-0.3 -1,-0.1 -0.047 20.0 153.4-138.3 33.2 76.9 31.3 32.8 84 87 A Y - 0 0 10 428,-0.1 11,-0.2 12,-0.1 2,-0.1 -0.309 30.1-145.9 -62.7 149.0 78.5 28.7 35.0 85 88 A A E -J 94 0B 2 9,-2.4 9,-1.9 26,-0.1 2,-0.3 -0.122 16.7-106.5 -99.6-168.6 81.4 29.8 37.2 86 89 A L E -Jk 93 113B 1 26,-1.9 2,-0.5 7,-0.3 28,-0.5 -0.956 20.7-116.3-127.8 147.9 84.5 27.9 38.3 87 90 A N > - 0 0 59 5,-2.8 4,-2.6 -2,-0.3 5,-0.1 -0.774 24.5-143.2 -77.2 125.3 85.5 26.3 41.6 88 91 A K T 4 S+ 0 0 74 -2,-0.5 -1,-0.1 1,-0.2 25,-0.0 0.911 95.4 42.7 -56.5 -44.1 88.7 28.2 42.7 89 92 A K T 4 S+ 0 0 186 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.908 127.8 24.3 -69.5 -52.2 90.3 25.1 44.2 90 93 A T T 4 S- 0 0 84 2,-0.1 -2,-0.2 3,-0.0 -1,-0.2 0.735 87.0-132.6 -90.7 -26.8 89.6 22.6 41.6 91 94 A G < + 0 0 14 -4,-2.6 -3,-0.1 1,-0.3 3,-0.1 0.549 63.4 131.7 84.1 1.2 89.0 24.5 38.4 92 95 A K - 0 0 82 1,-0.1 -5,-2.8 -5,-0.1 -1,-0.3 -0.460 69.3 -82.5 -80.9 162.8 85.8 22.5 37.7 93 96 A P E -J 86 0B 7 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.272 31.9-152.5 -65.6 146.7 82.6 24.2 36.8 94 97 A D E -J 85 0B 39 -9,-1.9 -9,-2.4 1,-0.1 748,-0.1 -0.963 14.5-147.8-118.3 108.6 80.5 25.6 39.7 95 98 A Y S S+ 0 0 8 -2,-0.6 2,-0.6 746,-0.3 -12,-0.2 0.648 78.0 53.3 -56.7 -20.7 76.9 25.4 38.2 96 99 A V S S- 0 0 12 725,-0.1 2,-0.2 -12,-0.1 -1,-0.1 -0.936 75.3-156.6-123.8 113.2 75.5 28.5 40.0 97 100 A T - 0 0 3 -2,-0.6 2,-0.1 -14,-0.2 312,-0.1 -0.526 8.5-137.0 -83.6 154.1 77.3 31.7 39.6 98 101 A D > - 0 0 24 -2,-0.2 4,-1.3 1,-0.1 5,-0.2 -0.331 38.7 -98.0 -90.7-177.0 77.2 34.8 41.9 99 102 A S H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.821 118.9 56.3 -75.9 -25.5 77.0 38.3 40.3 100 103 A A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 18,-0.3 0.938 106.9 46.6 -72.0 -45.9 80.7 39.0 40.5 101 104 A A H > S+ 0 0 4 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.888 115.1 46.4 -66.6 -35.6 81.9 35.9 38.6 102 105 A S H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 5,-0.3 0.927 110.4 51.8 -73.1 -45.0 79.4 36.4 35.8 103 106 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.850 108.9 51.9 -55.6 -38.1 80.1 40.1 35.4 104 107 A T H X>S+ 0 0 0 -4,-1.8 4,-1.9 12,-0.3 6,-0.6 0.816 105.3 59.7 -68.5 -31.1 83.8 39.3 35.2 105 108 A A H X5S+ 0 0 2 -4,-1.2 4,-1.7 -3,-0.2 331,-0.2 0.926 111.5 33.6 -64.7 -54.4 83.0 36.8 32.4 106 109 A W H <5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.737 120.6 53.5 -77.9 -22.8 81.4 39.1 30.0 107 110 A S H <5S+ 0 0 0 -4,-1.4 22,-1.9 -5,-0.3 -2,-0.2 0.770 128.5 11.3 -86.5 -13.5 83.7 41.9 30.9 108 111 A T H <5S- 0 0 9 -4,-1.9 -3,-0.2 20,-0.2 -2,-0.2 0.594 94.6-119.4-129.7 -23.3 87.1 40.2 30.5 109 112 A G S < -k 86 0B 20 -2,-0.2 3,-1.9 -28,-0.2 -26,-0.1 -0.549 58.1 -87.9 -84.9 154.6 85.3 31.9 41.0 114 117 A N T 3 S+ 0 0 53 -28,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.400 115.3 25.9 -60.5 133.6 82.3 33.3 42.7 115 118 A G T 3 S+ 0 0 13 1,-0.3 48,-2.1 47,-0.1 2,-0.3 0.266 93.3 121.5 96.3 -7.5 83.1 36.6 44.5 116 119 A A < - 0 0 0 -3,-1.9 2,-0.4 46,-0.2 -1,-0.3 -0.632 43.8-162.2 -90.4 148.2 86.0 37.5 42.2 117 120 A L B -L 160 0C 0 43,-2.0 43,-2.0 -2,-0.3 45,-0.1 -0.977 69.7 -19.8-135.5 115.8 86.1 40.7 40.2 118 121 A G S S+ 0 0 0 -2,-0.4 8,-1.7 -18,-0.3 2,-0.3 0.560 113.6 92.4 66.9 11.8 88.4 41.3 37.2 119 122 A V B -M 125 0D 1 41,-0.2 6,-0.2 6,-0.2 -1,-0.2 -0.854 67.0-128.0-127.7 165.7 90.8 38.4 38.2 120 123 A D > - 0 0 8 4,-1.3 3,-1.8 -2,-0.3 -8,-0.1 -0.186 46.5 -79.5-100.6-166.0 91.0 34.6 37.2 121 124 A I T 3 S+ 0 0 17 -10,-0.4 -9,-0.1 340,-0.3 341,-0.1 0.782 134.6 54.2 -71.8 -14.7 91.2 31.6 39.5 122 125 A H T 3 S- 0 0 138 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.362 119.2-114.6 -91.5 3.7 94.9 32.3 39.8 123 126 A E < + 0 0 93 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.741 64.9 151.0 67.6 29.6 94.0 35.8 41.0 124 127 A K - 0 0 121 1,-0.0 -4,-1.3 0, 0.0 -1,-0.3 -0.724 46.6-118.6 -91.0 138.6 95.6 37.4 37.9 125 128 A D B -M 119 0D 51 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.443 28.1-168.0 -73.3 152.8 94.2 40.7 36.7 126 129 A H - 0 0 21 -8,-1.7 -17,-0.1 -2,-0.1 -16,-0.1 -0.995 29.1-103.1-143.5 135.4 92.7 40.9 33.2 127 130 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 30,-0.1 -0.271 36.8-134.4 -60.6 139.5 91.7 44.0 31.2 128 131 A T > - 0 0 0 28,-0.2 4,-2.3 1,-0.1 -20,-0.2 -0.514 23.0-108.4 -89.8 162.9 88.0 44.7 31.1 129 132 A I H > S+ 0 0 0 -22,-1.9 4,-2.4 1,-0.2 5,-0.2 0.876 121.7 52.8 -59.3 -29.4 85.9 45.7 28.0 130 133 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.963 106.2 48.4 -70.7 -50.5 85.7 49.1 29.6 131 134 A E H > S+ 0 0 58 25,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.906 115.9 47.2 -57.9 -39.3 89.5 49.6 30.1 132 135 A M H X S+ 0 0 35 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.909 108.7 50.7 -69.9 -44.6 90.1 48.5 26.6 133 136 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 3,-0.3 0.939 113.5 49.4 -58.9 -41.0 87.4 50.7 24.9 134 137 A K H ><5S+ 0 0 71 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.951 106.6 53.5 -63.2 -45.1 89.0 53.6 26.9 135 138 A A H 3<5S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.6 55.4 -59.2 -29.4 92.5 52.7 25.7 136 139 A A T 3<5S- 0 0 43 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.471 122.9-104.6 -83.1 -7.8 91.2 52.8 22.2 137 140 A G T < 5S+ 0 0 33 -3,-2.3 175,-0.2 1,-0.3 -3,-0.2 0.509 75.4 133.7 99.3 2.8 89.9 56.3 22.6 138 141 A L < - 0 0 19 -5,-2.2 -1,-0.3 -6,-0.2 176,-0.2 -0.478 60.2-108.3 -83.2 157.1 86.2 55.6 22.9 139 142 A A E -e 314 0A 5 174,-2.8 176,-2.1 168,-0.2 2,-0.4 -0.576 36.1-154.7 -79.3 154.9 84.0 57.2 25.5 140 143 A T E -e 315 0A 0 174,-0.2 59,-1.8 -2,-0.2 58,-0.8 -0.976 12.9-175.4-136.0 143.3 82.8 54.8 28.3 141 144 A G E -ef 316 199A 0 174,-2.2 176,-1.7 -2,-0.4 2,-0.4 -0.989 9.4-169.8-138.9 148.5 79.9 54.9 30.7 142 145 A N E +ef 317 200A 1 57,-2.3 59,-1.8 -2,-0.3 2,-0.4 -0.920 17.2 173.4-143.8 105.5 78.9 52.7 33.6 143 146 A V E +ef 318 201A 0 174,-2.8 176,-1.6 -2,-0.4 2,-0.3 -0.959 5.3 154.4-119.6 141.2 75.3 53.3 34.9 144 147 A S E -e 319 0A 0 57,-2.6 176,-0.2 -2,-0.4 59,-0.1 -0.993 45.5-137.0-160.9 155.0 73.5 51.3 37.5 145 148 A T E S+ 0 0 7 174,-1.5 116,-2.5 -2,-0.3 2,-0.1 0.393 87.5 80.5 -90.6 -6.7 70.6 51.5 40.1 146 149 A A E S- 0 0 0 114,-0.2 57,-2.4 173,-0.2 2,-0.2 -0.433 104.0 -76.0 -86.1 178.8 72.8 49.6 42.6 147 150 A E E > - f 0 203A 42 55,-0.2 3,-2.5 1,-0.1 57,-0.3 -0.534 48.1-120.1 -73.0 140.0 75.6 51.1 44.8 148 151 A L T 3 S+ 0 0 0 55,-2.2 -1,-0.1 1,-0.3 56,-0.1 0.630 110.2 63.0 -60.8 -12.3 78.6 51.5 42.4 149 152 A Q T 3 S+ 0 0 0 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.445 79.8 108.4 -90.1 -4.9 80.7 49.2 44.5 150 153 A D S <> S- 0 0 13 -3,-2.5 4,-2.4 1,-0.1 5,-0.2 -0.420 86.7-100.8 -67.7 159.3 78.3 46.2 43.8 151 154 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.793 110.1 61.0 -48.9 -46.2 79.6 43.5 41.5 152 155 A T H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.925 120.4 23.0 -57.9 -53.1 77.9 44.4 38.2 153 156 A P H >> S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.823 118.0 63.8 -84.5 -23.8 79.4 47.9 37.7 154 157 A A H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 3,-1.4 0.880 93.0 66.1 -61.4 -38.1 82.5 47.1 39.9 155 158 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.1 0.626 92.8 59.1 -59.1 -20.5 83.6 44.5 37.4 156 159 A L H <4 S+ 0 0 0 -3,-1.3 -25,-0.5 -4,-0.2 -1,-0.3 0.774 123.5 17.3 -83.1 -19.4 84.2 47.0 34.7 157 160 A V H << S+ 0 0 5 -3,-1.4 2,-0.3 -4,-0.5 38,-0.2 0.393 112.0 66.0-133.8 0.4 86.8 49.0 36.7 158 161 A A < - 0 0 0 -4,-1.8 2,-0.4 -5,-0.1 30,-0.1 -0.923 46.6-165.0-129.5 153.9 88.1 47.0 39.7 159 162 A H + 0 0 4 -2,-0.3 2,-0.4 27,-0.2 -41,-0.2 -0.933 32.3 146.8-137.1 99.9 90.2 43.8 40.1 160 163 A V B -L 117 0C 0 -43,-2.0 -43,-2.0 -2,-0.4 -41,-0.2 -0.983 54.8-124.6-137.8 151.4 90.0 42.5 43.6 161 164 A T S S+ 0 0 31 -2,-0.4 2,-0.3 -45,-0.2 -43,-0.1 0.567 97.7 35.6 -69.0 -16.5 90.1 39.0 44.9 162 165 A S > - 0 0 27 -45,-0.1 3,-2.0 -46,-0.1 -46,-0.2 -0.965 69.6-138.0-145.9 134.5 86.7 39.5 46.7 163 166 A R T 3 S+ 0 0 54 -48,-2.1 -47,-0.1 -2,-0.3 -1,-0.1 0.658 99.2 69.4 -62.2 -19.6 83.6 41.5 45.9 164 167 A K T 3 + 0 0 135 -49,-0.2 2,-2.4 1,-0.2 3,-0.3 0.477 65.7 102.8 -79.6 -5.1 83.3 42.7 49.4 165 168 A a < + 0 0 0 -3,-2.0 23,-3.0 1,-0.2 24,-0.2 -0.355 42.6 152.4 -80.0 62.3 86.4 45.0 49.2 166 169 A Y - 0 0 50 -2,-2.4 23,-2.5 21,-0.2 24,-0.3 0.941 61.1 -15.2 -54.3 -65.6 84.3 48.1 48.8 167 170 A G S >> S- 0 0 0 -3,-0.3 4,-2.2 21,-0.2 3,-0.9 -0.793 93.5 -61.4-132.6-176.2 86.5 50.7 50.2 168 171 A P H 3> S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.749 123.9 49.2 -37.3 -52.0 89.7 51.0 52.3 169 172 A S H 3> S+ 0 0 75 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.890 114.9 41.9 -67.7 -38.4 88.5 49.4 55.5 170 173 A A H <> S+ 0 0 21 -3,-0.9 4,-1.8 2,-0.2 5,-0.4 0.890 113.4 54.1 -73.8 -35.7 87.0 46.3 54.0 171 174 A T H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 3,-0.3 0.930 100.3 59.5 -62.6 -46.3 89.9 45.9 51.6 172 175 A S H < S+ 0 0 28 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.848 120.2 27.9 -53.4 -35.3 92.5 45.9 54.3 173 176 A E H < S+ 0 0 130 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.590 131.1 35.2-104.4 -13.8 90.9 42.9 55.9 174 177 A K H < S+ 0 0 109 -4,-1.8 -3,-0.2 -3,-0.3 -2,-0.2 0.728 131.7 24.7-108.5 -29.9 89.3 41.1 53.0 175 178 A a >X + 0 0 0 -4,-2.8 3,-2.5 -5,-0.4 4,-1.4 -0.518 65.7 165.1-133.6 64.3 91.8 41.8 50.3 176 179 A P T 34 S+ 0 0 65 0, 0.0 3,-0.3 0, 0.0 8,-0.2 0.851 78.8 54.4 -53.3 -36.9 95.1 42.5 52.0 177 180 A G T 34 S+ 0 0 64 1,-0.2 8,-0.3 -3,-0.1 9,-0.1 0.524 110.6 44.2 -74.9 -7.2 97.0 42.1 48.7 178 181 A N T <4 S+ 0 0 20 -3,-2.5 8,-2.8 -7,-0.3 -1,-0.2 0.623 88.6 117.1-106.9 -14.8 94.9 44.7 47.0 179 182 A A ><> - 0 0 0 -4,-1.4 5,-2.4 -3,-0.3 3,-1.2 -0.268 66.4-135.4 -59.3 132.2 95.1 47.1 49.9 180 183 A L G > 5S+ 0 0 51 1,-0.3 3,-1.7 3,-0.2 35,-0.1 0.849 104.2 53.8 -56.6 -42.0 96.8 50.4 49.2 181 184 A E G 3 5S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.698 108.7 51.7 -64.4 -26.1 98.8 50.4 52.5 182 185 A K G < 5S- 0 0 125 -3,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 0.215 126.8 -99.8 -93.2 7.6 100.1 46.9 51.5 183 186 A G T < 5S+ 0 0 71 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.575 79.0 129.9 88.2 11.2 101.2 48.1 48.1 184 187 A G S - 0 0 0 -2,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.159 65.3 -92.5 -69.7 171.1 89.8 48.9 47.0 188 191 A I H > S+ 0 0 1 -23,-3.0 4,-2.3 1,-0.2 -21,-0.2 0.923 126.5 45.8 -51.7 -45.0 86.9 48.7 44.5 189 192 A T H > S+ 0 0 0 -23,-2.5 4,-2.5 -24,-0.2 -1,-0.2 0.879 112.0 49.7 -69.9 -40.3 86.1 52.5 45.0 190 193 A E H > S+ 0 0 8 -24,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.914 112.2 49.2 -67.2 -32.6 89.7 53.6 44.7 191 194 A Q H X S+ 0 0 10 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.886 107.8 53.7 -72.9 -35.3 90.0 51.5 41.6 192 195 A L H X S+ 0 0 5 -4,-2.3 4,-1.2 1,-0.3 5,-0.3 0.936 107.2 52.1 -61.5 -47.0 86.8 53.0 40.1 193 196 A L H < S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.815 112.4 45.7 -59.3 -32.7 88.3 56.5 40.8 194 197 A N H < S+ 0 0 82 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 103.1 62.1 -79.2 -35.9 91.5 55.5 38.9 195 198 A A H < S- 0 0 16 -4,-2.6 -2,-0.2 -38,-0.2 -1,-0.2 0.766 87.1-162.1 -60.4 -25.8 89.7 53.9 36.0 196 199 A R < - 0 0 50 -4,-1.2 2,-0.1 -5,-0.2 -3,-0.1 0.916 7.0-169.7 43.6 68.0 88.1 57.3 35.2 197 200 A A - 0 0 2 -5,-0.3 3,-0.1 1,-0.1 55,-0.1 -0.518 29.2-122.3 -76.4 155.5 85.2 56.3 33.0 198 201 A D S S+ 0 0 11 -58,-0.8 54,-3.2 1,-0.2 2,-0.4 0.956 96.6 26.0 -65.9 -42.4 83.7 59.5 31.4 199 202 A V E +fg 141 252A 0 -59,-1.8 -57,-2.3 52,-0.2 2,-0.4 -0.979 63.5 165.1-125.2 125.3 80.2 58.8 32.9 200 203 A T E +fg 142 253A 3 52,-1.4 54,-2.5 -2,-0.4 2,-0.4 -0.958 12.1 172.0-137.7 118.7 79.5 56.8 36.1 201 204 A L E +fg 143 254A 1 -59,-1.8 -57,-2.6 -2,-0.4 2,-0.3 -0.999 25.0 80.9-133.7 137.7 76.0 57.1 37.6 202 205 A G E - g 0 255A 0 52,-2.4 54,-3.1 -2,-0.4 55,-0.3 -0.977 68.1 -63.7 165.4-161.6 74.4 55.1 40.5 203 206 A G E S+f 147 0A 0 -57,-2.4 -55,-2.2 -2,-0.3 57,-0.2 -0.153 70.3 101.2-101.6-160.8 74.1 54.8 44.3 204 207 A G > + 0 0 0 55,-1.4 4,-0.6 53,-0.5 3,-0.3 0.807 30.0 147.7 90.1 35.2 76.8 54.0 46.8 205 208 A A T >4 + 0 0 13 52,-2.2 3,-0.6 1,-0.2 4,-0.4 0.811 60.6 76.1 -68.5 -33.4 77.7 57.4 48.3 206 209 A K G >4 S+ 0 0 133 52,-1.6 3,-2.1 1,-0.2 -1,-0.2 0.912 91.2 49.6 -44.5 -56.2 78.3 55.9 51.7 207 210 A T G >4 S+ 0 0 14 51,-0.3 3,-2.2 -3,-0.3 15,-0.3 0.828 96.5 70.4 -61.1 -30.3 81.7 54.3 50.8 208 211 A F G << S+ 0 0 1 -4,-0.6 15,-2.0 -3,-0.6 14,-0.4 0.616 84.7 72.7 -62.9 -10.2 83.0 57.6 49.3 209 212 A A G < S+ 0 0 64 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.371 79.1 98.8 -82.0 -1.5 83.1 58.9 52.9 210 213 A E S < S- 0 0 50 -3,-2.2 12,-2.3 -4,-0.1 2,-0.4 -0.445 71.0-126.3 -82.9 166.6 86.1 56.7 53.7 211 214 A T B -N 221 0E 67 10,-0.3 10,-0.2 -2,-0.1 7,-0.1 -0.935 21.4-109.4-120.5 134.6 89.6 58.0 53.7 212 215 A A B -o 218 0F 4 8,-1.9 7,-2.6 5,-0.6 3,-0.1 -0.311 19.0-153.9 -57.5 142.9 92.6 56.6 51.8 213 216 A T S S+ 0 0 55 5,-0.2 2,-0.3 6,-0.1 -1,-0.1 0.493 75.2 2.7 -97.2 -7.0 95.1 55.0 54.2 214 217 A A S S+ 0 0 19 3,-0.0 3,-0.1 -32,-0.0 -33,-0.1 -0.865 93.2 60.7-158.4-173.3 98.1 55.6 51.9 215 218 A G S > S- 0 0 47 -2,-0.3 3,-2.1 1,-0.2 -34,-0.0 0.088 97.7 -43.3 72.4 178.3 98.9 57.2 48.6 216 219 A E T 3 S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.0 0, 0.0 0.867 137.7 41.6 -47.1 -51.0 98.7 60.8 47.3 217 220 A W T > S+ 0 0 51 -3,-0.1 3,-1.9 3,-0.0 -5,-0.6 0.023 84.0 158.8 -92.1 32.3 95.2 61.5 48.7 218 221 A Q B < +o 212 0F 122 -3,-2.1 -5,-0.2 1,-0.3 -3,-0.1 -0.127 64.8 15.4 -53.7 149.0 96.0 59.8 52.0 219 222 A G T 3 S+ 0 0 55 -7,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.540 102.3 108.0 63.5 5.3 93.7 60.9 54.8 220 223 A K S < S- 0 0 89 -3,-1.9 -8,-1.9 -8,-0.1 -1,-0.2 -0.858 77.6-106.0-110.2 150.9 91.2 62.5 52.6 221 224 A T B > -N 211 0E 32 -2,-0.3 4,-2.4 -10,-0.2 -10,-0.3 -0.398 30.3-113.7 -70.1 160.0 87.8 61.0 51.9 222 225 A L H > S+ 0 0 0 -12,-2.3 4,-1.9 -14,-0.4 -13,-0.2 0.765 119.5 59.6 -68.1 -16.4 87.3 59.3 48.5 223 226 A R H > S+ 0 0 79 -15,-2.0 4,-2.1 -13,-0.3 -1,-0.2 0.939 105.7 46.1 -74.5 -42.1 84.8 62.1 47.8 224 227 A E H > S+ 0 0 88 -16,-0.3 4,-3.1 -3,-0.3 -2,-0.2 0.928 110.7 54.3 -64.5 -44.2 87.5 64.7 48.4 225 228 A Q H X S+ 0 0 8 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.906 107.2 51.3 -55.3 -42.0 89.8 62.7 46.2 226 229 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 4,-0.2 0.951 113.0 42.6 -63.2 -47.4 87.2 62.7 43.4 227 230 A Q H ><5S+ 0 0 106 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.946 113.8 53.3 -61.9 -48.3 86.7 66.4 43.4 228 231 A A H 3<5S+ 0 0 61 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.769 107.0 53.0 -58.6 -28.8 90.5 66.9 43.7 229 232 A R T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.389 124.3-100.2 -89.5 3.3 91.0 64.7 40.7 230 233 A G T < 5 + 0 0 36 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.581 67.3 152.1 96.1 8.8 88.6 66.7 38.5 231 234 A Y < - 0 0 10 -5,-2.4 2,-0.9 -6,-0.2 -1,-0.3 -0.525 47.3-126.4 -75.0 139.6 85.4 64.6 38.6 232 235 A Q E -h 252 0A 42 19,-4.0 21,-2.9 -2,-0.2 2,-0.4 -0.778 29.0-151.9 -82.5 105.3 82.1 66.5 38.2 233 236 A L E +h 253 0A 45 -2,-0.9 2,-0.3 19,-0.2 21,-0.2 -0.734 21.3 172.0 -83.2 132.9 80.2 65.4 41.3 234 237 A V E +h 254 0A 11 19,-1.9 21,-1.9 -2,-0.4 3,-0.1 -0.984 14.9 174.8-135.2 148.5 76.4 65.3 40.9 235 238 A S + 0 0 64 -2,-0.3 2,-0.3 19,-0.2 19,-0.1 0.403 58.6 43.0-140.5 4.6 73.7 64.0 43.3 236 239 A D S > S- 0 0 60 57,-0.1 4,-2.2 1,-0.1 57,-0.2 -0.956 82.3-103.6-145.8 168.7 70.2 64.7 42.0 237 240 A A H > S+ 0 0 19 55,-2.8 4,-1.9 -2,-0.3 5,-0.1 0.833 116.1 53.3 -61.8 -34.2 68.3 64.7 38.8 238 241 A A H > S+ 0 0 62 54,-0.2 4,-1.8 2,-0.2 3,-0.2 0.973 112.0 41.2 -68.6 -54.7 68.4 68.5 38.5 239 242 A S H > S+ 0 0 35 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.846 114.5 55.3 -60.2 -31.4 72.2 68.8 38.7 240 243 A L H < S+ 0 0 7 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.863 105.9 51.1 -67.4 -37.4 72.5 65.7 36.6 241 244 A N H < S+ 0 0 123 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.843 102.3 62.2 -68.2 -30.7 70.3 67.4 33.9 242 245 A S H < S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.823 77.0 109.2 -65.4 -35.7 72.6 70.5 34.0 243 246 A V < + 0 0 8 -4,-1.0 3,-0.1 -3,-0.3 63,-0.0 -0.184 37.1 170.7 -50.2 123.2 75.6 68.5 32.9 244 247 A T + 0 0 97 1,-0.3 2,-0.3 62,-0.0 -1,-0.1 0.540 61.8 25.2-112.6 -18.0 76.6 69.5 29.3 245 248 A E - 0 0 79 5,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.988 54.0-177.7-146.4 150.5 79.9 67.8 28.8 246 249 A A + 0 0 16 -2,-0.3 2,-0.3 60,-0.2 -47,-0.1 -0.928 25.7 130.5-148.9 123.7 81.6 64.8 30.2 247 250 A N - 0 0 37 3,-1.2 -2,-0.0 -2,-0.3 60,-0.0 -0.910 68.7 -70.7-155.3-171.3 85.1 63.6 29.3 248 251 A Q S S+ 0 0 57 -2,-0.3 -1,-0.0 1,-0.2 -51,-0.0 0.818 132.2 42.8 -62.4 -30.1 88.5 62.6 30.5 249 252 A Q S S+ 0 0 138 1,-0.2 -1,-0.2 -18,-0.0 -51,-0.0 0.888 129.3 28.4 -84.7 -35.6 89.3 66.1 31.6 250 253 A K S S- 0 0 81 -19,-0.1 -3,-1.2 2,-0.0 -1,-0.2 -0.557 82.6-177.1-125.0 66.3 85.8 66.5 33.1 251 254 A P - 0 0 0 0, 0.0 -19,-4.0 0, 0.0 2,-0.5 -0.355 20.2-132.0 -63.5 138.8 84.6 63.0 34.2 252 255 A L E -gh 199 232A 0 -54,-3.2 -52,-1.4 -21,-0.2 2,-0.4 -0.837 22.2-177.3 -99.5 133.1 81.1 62.8 35.6 253 256 A L E -gh 200 233A 0 -21,-2.9 -19,-1.9 -2,-0.5 2,-0.7 -0.898 3.8-170.7-130.3 105.6 80.3 61.0 38.8 254 257 A G E -gh 201 234A 0 -54,-2.5 -52,-2.4 -2,-0.4 2,-0.8 -0.822 5.2-177.0 -99.5 114.7 76.6 60.8 40.0 255 258 A L E +g 202 0A 5 -21,-1.9 -52,-0.2 -2,-0.7 -51,-0.1 -0.900 7.9 172.0-107.7 101.8 76.0 59.4 43.5 256 259 A F + 0 0 16 -54,-3.1 2,-0.3 -2,-0.8 -53,-0.2 0.234 60.6 12.1 -95.7 12.2 72.2 59.3 43.8 257 260 A A S S- 0 0 26 -55,-0.3 -52,-2.2 1,-0.1 -53,-0.5 -0.915 70.9-113.6-176.1 156.2 71.8 57.4 47.1 258 261 A D S S- 0 0 92 -2,-0.3 -52,-1.6 -54,-0.2 -51,-0.3 0.871 104.9 -3.6 -67.4 -40.6 73.8 56.2 50.0 259 262 A G S S- 0 0 24 1,-0.4 -55,-1.4 -55,-0.2 2,-0.2 0.107 125.9 -12.0-117.9-128.5 73.2 52.6 49.0 260 263 A N S S- 0 0 58 -57,-0.2 -1,-0.4 -113,-0.1 -114,-0.2 -0.574 79.5-103.0 -78.2 143.4 71.0 51.3 46.2 261 264 A M - 0 0 13 -116,-2.5 -4,-0.1 -2,-0.2 -1,-0.1 -0.256 54.7 -78.3 -61.9 152.1 68.7 53.8 44.6 262 265 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.236 46.8-113.3 -54.7 147.2 65.0 53.5 45.6 263 266 A V - 0 0 18 -3,-0.1 25,-0.2 1,-0.1 23,-0.1 -0.435 18.9-130.5 -79.4 151.1 62.9 50.7 44.2 264 267 A R S S+ 0 0 39 70,-0.2 22,-2.1 -2,-0.1 2,-0.3 0.789 81.0 31.4 -75.7 -31.2 60.0 51.7 41.9 265 268 A W E -P 285 0G 39 20,-0.3 2,-0.3 69,-0.1 72,-0.1 -0.975 65.8-145.4-132.6 152.0 57.0 49.7 43.4 266 269 A L E +P 284 0G 65 18,-3.8 18,-2.1 -2,-0.3 -2,-0.0 -0.850 28.7 143.8-114.4 151.4 56.0 48.6 46.8 267 270 A G - 0 0 24 -2,-0.3 67,-0.1 16,-0.2 16,-0.1 -0.944 49.6 -83.3-170.9 167.1 54.2 45.4 47.9 268 271 A P - 0 0 75 0, 0.0 65,-0.4 0, 0.0 2,-0.2 -0.330 50.8 -98.5 -76.9 166.1 54.3 43.0 50.7 269 272 A K - 0 0 100 62,-0.1 62,-0.2 1,-0.1 61,-0.1 -0.528 41.9 -99.8 -81.1 149.7 56.8 40.1 50.8 270 273 A A - 0 0 1 60,-3.4 2,-0.3 59,-0.2 115,-0.2 -0.294 47.4-169.9 -62.7 158.7 55.7 36.6 49.7 271 274 A T E > -Q 384 0H 44 113,-2.0 113,-2.8 -3,-0.1 3,-2.1 -0.936 34.0 -68.0-147.6 169.5 54.8 34.3 52.6 272 275 A Y E 3 S-Q 383 0H 118 1,-0.3 111,-0.2 -2,-0.3 5,-0.1 -0.425 121.6 -5.3 -65.4 126.4 54.1 30.6 53.4 273 276 A H T >> S+ 0 0 24 109,-0.6 4,-3.0 107,-0.4 3,-1.7 0.672 89.7 151.5 57.5 25.4 50.7 29.7 51.8 274 277 A G H <> + 0 0 4 -3,-2.1 4,-0.6 1,-0.3 112,-0.4 0.730 66.0 52.3 -57.6 -27.3 50.3 33.4 50.9 275 278 A N H 34 S+ 0 0 19 -4,-0.2 -1,-0.3 110,-0.2 110,-0.1 0.690 117.2 38.8 -83.9 -18.8 48.2 32.7 47.8 276 279 A I H <4 S+ 0 0 71 -3,-1.7 -2,-0.2 108,-0.1 -1,-0.1 0.850 125.6 32.9 -91.2 -54.8 45.8 30.6 49.9 277 280 A D H < S+ 0 0 110 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.1 0.976 113.8 53.2 -70.8 -57.2 45.7 32.6 53.0 278 281 A K S < S- 0 0 126 -4,-0.6 108,-0.1 -5,-0.3 3,-0.1 -0.465 84.1-109.5 -87.6 156.9 46.1 36.2 52.0 279 282 A P - 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0 0 22 -2,-0.6 387,-3.4 385,-0.4 389,-0.2 -0.973 30.3-173.8-147.9 132.6 64.9 30.5 3.6 483 39 B D + 0 0 79 -2,-0.4 3,-0.1 385,-0.2 -1,-0.1 0.247 49.1 125.3-105.9 14.3 61.3 31.2 2.8 484 40 B K S S- 0 0 71 1,-0.1 -2,-0.1 0, 0.0 385,-0.0 -0.308 75.0 -82.7 -68.2 155.4 61.1 28.5 0.2 485 41 B P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 405,-0.2 -0.217 38.5-124.4 -57.3 153.5 58.3 26.0 0.9 486 42 B A - 0 0 6 403,-2.8 320,-0.2 1,-0.2 3,-0.1 -0.849 14.8-165.5-100.7 131.5 58.8 23.1 3.3 487 43 B K S S+ 0 0 82 318,-2.6 2,-0.3 -2,-0.5 319,-0.2 0.884 76.0 14.0 -82.1 -39.2 58.1 19.7 1.9 488 44 B N E -v 806 0J 3 317,-1.9 319,-2.1 272,-0.2 2,-0.4 -0.878 63.2-151.5-131.3 164.4 58.1 18.1 5.3 489 45 B I E -vw 807 762J 0 272,-2.5 274,-2.2 -2,-0.3 2,-0.5 -0.991 5.1-171.6-140.1 129.3 57.9 19.1 8.9 490 46 B I E -vw 808 763J 0 317,-2.5 319,-2.0 -2,-0.4 2,-0.5 -0.994 10.9-167.7-119.3 117.2 59.3 17.2 12.0 491 47 B L E -vw 809 764J 0 272,-2.6 274,-2.8 -2,-0.5 2,-0.6 -0.926 2.7-162.0-107.6 119.2 58.2 18.7 15.3 492 48 B L E -vw 810 765J 0 317,-3.8 319,-2.5 -2,-0.5 2,-0.5 -0.914 5.4-165.9-109.7 122.3 60.0 17.5 18.4 493 49 B I E -vw 811 766J 0 272,-2.9 274,-2.4 -2,-0.6 2,-0.7 -0.884 13.1-163.8-110.3 123.9 58.4 18.0 21.8 494 50 B G E > -vw 812 767J 0 317,-2.8 3,-2.0 -2,-0.5 2,-0.7 -0.869 29.4-132.0 -94.9 110.9 60.1 17.7 25.2 495 51 B D T 3 S- 0 0 0 272,-2.0 276,-0.6 -2,-0.7 3,-0.1 -0.528 90.3 -4.6 -70.0 115.7 57.2 17.5 27.7 496 52 B G T 3 S+ 0 0 0 -2,-0.7 2,-2.1 318,-0.3 -1,-0.3 0.557 92.4 150.1 79.0 6.2 58.1 20.0 30.4 497 53 B M < + 0 0 6 -3,-2.0 -1,-0.1 318,-0.1 -3,-0.1 -0.380 17.6 163.9 -73.2 67.1 61.5 20.6 28.7 498 54 B G > - 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0 0 24 -2,-0.2 4,-1.4 1,-0.0 5,-0.2 -0.479 39.2 -97.4 -94.1 179.8 48.5 21.8 31.5 546 102 B S H > S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.694 118.3 58.3 -77.3 -13.8 49.7 19.6 28.6 547 103 B A H > S+ 0 0 0 2,-0.2 4,-2.4 3,-0.1 18,-0.3 0.949 105.9 44.0 -78.2 -48.8 46.3 19.4 27.0 548 104 B A H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.905 115.6 48.4 -67.3 -35.1 45.7 23.1 26.4 549 105 B S H X S+ 0 0 1 -4,-1.4 4,-1.8 1,-0.2 5,-0.3 0.933 110.3 50.2 -71.3 -44.5 49.2 23.7 25.1 550 106 B A H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.905 108.9 52.6 -59.5 -38.7 49.2 20.9 22.7 551 107 B T H X>S+ 0 0 0 -4,-2.4 4,-2.6 12,-0.3 5,-0.7 0.857 104.4 60.3 -65.1 -35.8 45.9 22.1 21.4 552 108 B A H X5S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 331,-0.3 0.927 111.1 34.9 -58.2 -50.1 47.5 25.5 20.9 553 109 B W H <5S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.725 120.9 50.4 -81.1 -19.8 50.2 24.4 18.5 554 110 B S H <5S+ 0 0 0 -4,-1.7 22,-1.7 -5,-0.3 -2,-0.2 0.790 129.6 13.8 -91.4 -15.8 48.0 21.8 16.9 555 111 B T H <5S- 0 0 8 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.586 93.5-122.6-127.1 -20.6 44.9 24.0 16.1 556 112 B G S < - 0 0 23 -2,-0.2 3,-2.1 -28,-0.2 -26,-0.1 -0.574 56.3 -88.7 -89.8 155.4 41.3 25.7 28.8 561 117 B N T 3 S+ 0 0 55 -28,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.326 115.2 26.5 -60.2 126.2 43.4 23.2 30.8 562 118 B G T 3 S+ 0 0 11 1,-0.4 48,-1.5 47,-0.1 -1,-0.3 0.120 93.7 122.1 107.4 -20.0 42.1 19.7 30.2 563 119 B A < - 0 0 0 -3,-2.1 2,-0.4 46,-0.2 -1,-0.4 -0.419 43.9-161.1 -80.6 151.0 40.7 20.4 26.7 564 120 B L B -F 607 0L 0 43,-1.9 43,-1.8 -2,-0.1 45,-0.1 -0.933 68.9 -22.6-137.1 111.2 41.7 18.6 23.6 565 121 B G S S+ 0 0 0 -2,-0.4 8,-1.6 -18,-0.3 2,-0.3 0.601 113.4 91.4 69.9 13.9 41.1 20.0 20.2 566 122 B V B -G 572 0M 1 6,-0.2 6,-0.2 41,-0.2 -1,-0.2 -0.901 67.3-128.1-133.5 161.2 38.2 22.2 21.2 567 123 B D > - 0 0 7 4,-1.5 3,-2.3 -2,-0.3 -8,-0.2 -0.185 47.1 -76.6 -98.1-164.1 38.0 25.9 22.4 568 124 B I T 3 S+ 0 0 17 -10,-0.4 -9,-0.1 -554,-0.4 -553,-0.1 0.672 134.6 54.3 -73.3 -13.4 36.5 27.4 25.4 569 125 B H T 3 S- 0 0 134 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.440 118.4-114.8 -93.8 4.3 33.1 27.1 23.8 570 126 B E < + 0 0 90 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.730 66.0 149.1 65.0 29.2 33.9 23.3 23.3 571 127 B K - 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