==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-01 1KHN . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.H.LE DU,C.LAMOURE,B. H.MULLER,O.V.BULGAKOV,E.LAJEUNESSE, . 888 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 583 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 48 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 1 3 5 5 0 2 1 5 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 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 PARALLEL BRIDGES PER LADDER . 9 5 2 2 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 6 A V 0 0 44 0, 0.0 2,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -56.3 98.5 100.6 59.5 2 7 A L + 0 0 14 1,-0.1 70,-0.1 70,-0.1 3,-0.1 -0.341 360.0 133.3 -89.0 171.6 101.0 98.0 60.9 3 8 A E S S+ 0 0 101 -2,-0.1 2,-0.4 68,-0.1 -1,-0.1 -0.117 86.1 39.9 177.1 -37.6 104.4 98.4 62.5 4 9 A N + 0 0 84 15,-0.1 17,-0.1 1,-0.1 64,-0.0 -0.904 55.1 152.9-134.9 104.8 103.8 96.1 65.4 5 10 A R + 0 0 6 -2,-0.4 2,-0.1 15,-0.1 15,-0.1 0.034 36.7 121.9-116.7 18.8 101.8 93.0 64.8 6 11 A A S S- 0 0 25 1,-0.1 59,-0.2 13,-0.1 60,-0.1 -0.499 80.7 -82.5 -78.4 154.9 103.3 91.0 67.6 7 12 A A - 0 0 23 57,-2.8 12,-0.2 -2,-0.1 10,-0.2 -0.261 40.5-128.3 -56.5 147.3 100.8 89.6 70.1 8 13 A Q - 0 0 79 10,-2.2 9,-0.2 7,-0.2 8,-0.1 0.897 65.3 -48.4 -69.6 -42.3 99.9 92.3 72.7 9 14 A G S S+ 0 0 51 7,-2.4 2,-0.8 9,-0.2 7,-0.1 -0.287 106.5 13.9-155.1-122.2 100.6 90.4 75.9 10 15 A N > - 0 0 95 1,-0.2 3,-1.7 4,-0.1 6,-0.3 -0.703 54.5-154.9 -79.4 113.9 99.8 87.1 77.6 11 16 A I T 3 S+ 0 0 28 -2,-0.8 543,-0.6 1,-0.3 6,-0.2 0.593 92.0 60.1 -65.4 -10.9 98.5 84.9 74.9 12 17 A T T 3 S+ 0 0 17 4,-0.1 552,-0.4 541,-0.1 -1,-0.3 0.546 98.0 72.3 -92.4 -10.0 96.6 82.8 77.5 13 18 A A S X S- 0 0 35 -3,-1.7 3,-2.3 1,-0.1 4,-0.4 -0.769 102.0 -79.1-105.7 153.7 94.6 85.9 78.6 14 19 A P T 3 S+ 0 0 66 0, 0.0 539,-0.2 0, 0.0 -4,-0.1 -0.181 115.7 0.6 -51.4 127.6 91.7 87.7 76.7 15 20 A G T 3 S+ 0 0 12 537,-2.4 -7,-0.2 -4,-0.1 538,-0.1 0.650 100.2 112.0 66.2 15.6 93.1 89.9 74.0 16 21 A G S < S+ 0 0 6 -3,-2.3 -7,-2.4 -6,-0.3 -5,-0.2 0.677 78.1 47.3 -90.0 -22.9 96.7 89.0 74.9 17 22 A A S S+ 0 0 2 -4,-0.4 -1,-0.1 535,-0.3 860,-0.1 0.639 87.0 117.5 -89.0 -20.1 97.1 87.2 71.6 18 23 A R - 0 0 62 534,-0.2 -10,-2.2 -11,-0.2 -9,-0.2 -0.101 46.1-166.9 -46.4 147.9 95.6 90.1 69.6 19 24 A R + 0 0 0 -12,-0.2 2,-0.3 855,-0.1 -13,-0.1 0.529 62.4 90.2-113.2 -22.5 98.0 91.8 67.1 20 25 A L - 0 0 9 1,-0.2 -12,-0.1 -15,-0.1 3,-0.1 -0.641 51.1-171.6 -82.5 137.8 95.9 94.8 66.4 21 26 A T - 0 0 110 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.859 68.6 -34.7 -89.8 -47.4 96.5 97.8 68.7 22 27 A G S S- 0 0 43 846,-0.0 2,-0.4 1,-0.0 -1,-0.2 -0.663 94.2 -28.9-151.3-156.2 93.5 99.8 67.3 23 28 A D > - 0 0 70 -2,-0.2 4,-0.5 1,-0.1 3,-0.2 -0.582 39.4-163.8 -77.9 126.6 91.4 100.5 64.2 24 29 A Q H > + 0 0 5 -2,-0.4 4,-3.7 1,-0.1 5,-0.4 0.721 68.0 90.6 -79.3 -26.0 93.2 100.2 60.9 25 30 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 93.0 36.5 -38.3 -62.1 90.7 102.1 58.8 26 31 A A H > S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 120.8 47.1 -61.2 -46.9 92.1 105.6 59.2 27 32 A A H < S+ 0 0 43 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 112.8 49.3 -63.1 -38.3 95.7 104.5 59.1 28 33 A L H >X S+ 0 0 3 -4,-3.7 3,-1.7 1,-0.2 4,-0.7 0.876 107.2 56.1 -69.4 -36.6 95.1 102.3 56.1 29 34 A R H >< S+ 0 0 87 -4,-2.4 3,-0.6 -5,-0.4 -2,-0.2 0.861 105.5 51.6 -63.6 -33.4 93.4 105.3 54.5 30 35 A N T 3< S+ 0 0 144 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.123 105.5 56.8 -90.9 20.7 96.5 107.3 55.0 31 36 A S T <4 S+ 0 0 33 -3,-1.7 2,-0.7 -5,-0.1 387,-0.3 0.405 83.1 96.6-120.9 -14.4 98.6 104.5 53.4 32 37 A L << + 0 0 14 -4,-0.7 2,-0.4 -3,-0.6 -4,-0.0 -0.738 49.6 162.0 -85.0 111.4 96.7 104.5 50.1 33 38 A S - 0 0 37 -2,-0.7 387,-3.1 385,-0.5 389,-0.3 -0.996 29.5-175.2-134.6 138.5 98.5 106.6 47.5 34 39 A D + 0 0 80 -2,-0.4 3,-0.1 385,-0.2 -1,-0.1 0.365 51.3 117.1-108.7 -1.4 98.2 106.7 43.7 35 40 A K S S- 0 0 75 1,-0.1 -2,-0.1 0, 0.0 385,-0.1 -0.354 80.1 -87.5 -62.0 152.1 101.0 109.3 43.2 36 41 A P - 0 0 82 0, 0.0 405,-0.2 0, 0.0 -1,-0.1 -0.324 35.9-121.8 -67.8 143.9 103.8 107.6 41.1 37 42 A A - 0 0 7 403,-1.6 320,-0.2 1,-0.2 3,-0.1 -0.429 12.5-159.6 -77.2 156.1 106.6 105.7 42.7 38 43 A K S S+ 0 0 66 318,-2.8 274,-0.6 1,-0.3 2,-0.2 0.720 78.2 17.1-101.8 -40.9 110.1 106.9 42.0 39 44 A N E -ab 312 357A 4 317,-1.1 319,-1.0 272,-0.2 2,-0.3 -0.771 67.3-156.0-125.6 169.4 111.8 103.6 42.9 40 45 A I E -ab 313 358A 0 272,-1.2 274,-2.6 -2,-0.2 2,-0.4 -0.988 5.0-170.1-150.6 135.7 110.6 100.0 43.3 41 46 A I E -ab 314 359A 0 317,-2.4 319,-2.1 -2,-0.3 2,-0.5 -1.000 5.6-169.2-129.5 125.4 112.0 97.1 45.3 42 47 A L E -ab 315 360A 0 272,-2.0 274,-2.9 -2,-0.4 2,-0.5 -0.988 3.1-165.7-119.3 115.0 110.6 93.7 44.8 43 48 A L E -ab 316 361A 0 317,-3.1 319,-1.7 -2,-0.5 2,-0.4 -0.913 8.0-169.0-100.6 129.1 111.7 91.1 47.2 44 49 A I E -ab 317 362A 0 272,-2.5 274,-2.7 -2,-0.5 2,-0.7 -0.979 13.5-158.3-122.8 132.1 110.9 87.6 46.1 45 50 A G E > -ab 318 363A 0 317,-2.5 3,-1.9 -2,-0.4 2,-0.7 -0.966 28.3-128.0-108.2 110.9 111.2 84.5 48.4 46 51 A D T 3 S- 0 0 1 272,-2.6 276,-0.6 -2,-0.7 3,-0.1 -0.488 90.1 -4.0 -65.2 107.9 111.5 81.6 46.0 47 52 A G T 3 S+ 0 0 0 -2,-0.7 2,-1.2 318,-0.2 -1,-0.3 0.622 92.3 145.5 85.2 19.1 108.9 79.1 47.2 48 53 A M < + 0 0 5 -3,-1.9 -1,-0.2 314,-0.1 -3,-0.2 -0.623 16.3 160.6 -96.1 80.5 107.7 81.2 50.1 49 54 A G >> - 0 0 2 -2,-1.2 4,-1.4 363,-0.1 3,-1.0 -0.069 60.0 -82.9 -83.4-171.4 104.0 80.7 50.6 50 55 A D H 3> S+ 0 0 7 1,-0.3 4,-2.5 2,-0.2 806,-0.6 0.858 129.2 59.0 -62.5 -38.0 102.0 81.4 53.7 51 56 A S H 3> S+ 0 0 16 1,-0.2 4,-1.0 804,-0.2 -1,-0.3 0.648 107.4 49.2 -65.7 -15.8 102.9 78.0 55.2 52 57 A E H <> S+ 0 0 4 -3,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.798 109.7 47.9 -91.4 -34.9 106.6 79.1 54.9 53 58 A I H X S+ 0 0 1 -4,-1.4 4,-1.8 2,-0.2 3,-0.3 0.935 114.3 48.8 -69.0 -45.9 106.2 82.5 56.5 54 59 A T H >X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 3,-0.6 0.968 110.4 48.4 -57.6 -59.5 104.2 80.9 59.4 55 60 A A H 3X S+ 0 0 0 -4,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.706 114.1 47.8 -56.7 -21.9 106.7 78.1 60.1 56 61 A A H 3X S+ 0 0 1 -4,-0.9 4,-2.5 -3,-0.3 5,-0.4 0.764 113.4 46.1 -88.2 -33.7 109.6 80.6 60.1 57 62 A R H S+ 0 0 0 -4,-1.8 4,-3.1 -3,-0.6 5,-1.5 0.959 110.7 53.6 -69.7 -54.7 107.9 83.1 62.4 58 63 A N H <5S+ 0 0 4 -4,-2.9 330,-1.0 3,-0.2 331,-0.5 0.845 119.8 34.4 -46.5 -42.8 106.9 80.3 64.8 59 64 A Y H <5S+ 0 0 22 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.918 128.8 30.8 -83.6 -48.3 110.5 79.1 65.0 60 65 A A H <5S+ 0 0 25 -4,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.858 142.0 14.4 -80.5 -37.5 112.5 82.3 64.8 61 66 A E T <5S- 0 0 73 -4,-3.1 -3,-0.2 -5,-0.4 -2,-0.1 0.396 105.7-116.9-117.5 -1.9 110.0 84.6 66.4 62 67 A G > < - 0 0 0 -5,-1.5 3,-3.8 -6,-0.2 -3,-0.2 0.366 42.4 -66.6 75.3 147.3 107.4 82.2 68.1 63 68 A A T 3 S+ 0 0 0 -5,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.771 137.2 41.0 -33.7 -51.8 103.7 81.9 67.3 64 69 A G T 3 S+ 0 0 14 -6,-0.1 -57,-2.8 -3,-0.1 -1,-0.3 0.234 99.8 114.1 -89.9 18.1 102.7 85.3 68.6 65 70 A G < - 0 0 10 -3,-3.8 2,-0.3 -59,-0.2 -3,-0.1 0.155 53.2-146.9 -74.5-168.7 105.8 86.7 67.0 66 71 A F - 0 0 18 -9,-0.1 2,-0.6 -60,-0.1 -60,-0.1 -0.845 15.8-125.9-170.4 122.6 106.2 89.2 64.1 67 72 A F > - 0 0 3 -2,-0.3 4,-1.1 1,-0.1 5,-0.4 -0.675 18.6-145.2 -73.9 117.3 108.8 89.6 61.3 68 73 A K T 4 S+ 0 0 101 -2,-0.6 -1,-0.1 3,-0.1 274,-0.0 0.658 95.3 21.3 -58.9 -17.3 109.9 93.2 61.5 69 74 A G T >4 S+ 0 0 0 2,-0.1 3,-1.8 4,-0.0 4,-0.2 0.685 124.2 43.2-112.3 -79.3 110.2 93.1 57.7 70 75 A I T 34 S+ 0 0 0 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.744 124.3 37.9 -41.6 -37.0 108.2 90.4 56.0 71 76 A D T 3< S+ 0 0 0 -4,-1.1 801,-0.4 1,-0.2 -1,-0.3 0.559 97.9 78.9 -96.4 -9.2 105.1 91.1 58.2 72 77 A A < + 0 0 4 -3,-1.8 -1,-0.2 -5,-0.4 -2,-0.1 0.239 62.6 110.4 -82.8 7.2 105.4 94.9 58.4 73 78 A L - 0 0 0 -3,-0.4 344,-0.1 -4,-0.2 343,-0.1 -0.808 56.2-156.5 -90.3 113.3 103.9 95.5 55.0 74 79 A P S S+ 0 0 4 0, 0.0 2,-0.4 0, 0.0 343,-0.2 0.820 70.0 64.3 -53.6 -50.5 100.4 97.1 55.4 75 80 A L E +C 416 0A 5 341,-1.6 341,-2.1 -44,-0.1 2,-0.3 -0.740 67.6 174.5 -87.7 132.4 98.6 96.3 52.2 76 81 A T E +C 415 0A 0 445,-0.5 350,-0.8 -2,-0.4 445,-0.5 -0.968 13.3 147.8-140.3 155.4 98.0 92.6 51.5 77 82 A G E -Cd 414 426A 0 337,-2.3 337,-2.5 -2,-0.3 2,-0.4 -0.920 38.5-108.8-164.6 179.8 96.3 90.2 49.1 78 83 A Q E -Cd 413 427A 0 348,-1.2 350,-0.9 -2,-0.3 2,-0.3 -0.938 33.2-162.4-121.1 144.8 96.7 86.8 47.6 79 84 A Y E -Cd 412 428A 1 333,-2.1 333,-1.6 -2,-0.4 2,-0.3 -0.946 15.5-120.4-134.6 155.3 97.6 86.2 43.9 80 85 A T E + d 0 429A 5 348,-2.0 350,-2.9 -2,-0.3 351,-0.2 -0.645 21.4 176.0 -93.2 145.2 97.5 83.4 41.3 81 86 A H + 0 0 4 328,-0.3 14,-0.2 -2,-0.3 22,-0.1 0.064 19.1 152.2-138.6 29.9 100.6 82.0 39.5 82 87 A Y - 0 0 9 426,-0.2 11,-0.2 12,-0.1 12,-0.1 -0.350 31.4-145.9 -66.3 140.4 99.5 79.1 37.2 83 88 A A E -J 92 0B 3 9,-2.4 9,-2.3 26,-0.1 2,-0.3 -0.077 17.1-107.5 -89.7-165.6 101.6 78.5 34.1 84 89 A L E -Jk 91 111B 2 26,-1.9 28,-0.6 7,-0.3 2,-0.6 -0.943 18.3-115.3-130.3 153.6 100.5 77.3 30.7 85 90 A N > - 0 0 66 5,-3.0 4,-2.4 -2,-0.3 5,-0.2 -0.790 28.3-140.1 -85.1 121.0 100.8 74.1 28.7 86 91 A K T 4 S+ 0 0 84 -2,-0.6 -1,-0.1 2,-0.2 25,-0.1 0.869 94.7 39.4 -49.5 -48.7 103.1 75.0 25.7 87 92 A K T 4 S+ 0 0 194 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.985 128.6 24.5 -64.7 -80.0 101.1 72.9 23.2 88 93 A T T 4 S- 0 0 95 1,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.748 90.1-132.6 -60.8 -32.8 97.4 73.4 24.2 89 94 A G < + 0 0 15 -4,-2.4 -3,-0.1 1,-0.3 367,-0.1 0.758 58.7 143.5 80.0 19.3 97.8 76.7 25.9 90 95 A K - 0 0 88 -5,-0.2 -5,-3.0 1,-0.1 -1,-0.3 -0.652 61.6 -88.1 -86.4 154.0 95.7 75.3 28.8 91 96 A P E -J 84 0B 9 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.273 29.4-151.0 -66.9 144.9 96.6 76.3 32.3 92 97 A D E -J 83 0B 35 -9,-2.3 -9,-2.4 744,-0.1 746,-0.1 -0.982 12.4-150.9-116.3 104.6 99.2 74.2 34.1 93 98 A Y S S+ 0 0 7 -2,-0.6 2,-0.6 744,-0.4 -12,-0.2 0.631 80.2 57.0 -55.3 -19.5 98.2 74.7 37.7 94 99 A V S S- 0 0 11 -12,-0.1 -1,-0.2 723,-0.1 315,-0.1 -0.905 75.6-162.6-120.7 102.2 101.7 74.3 39.1 95 100 A T - 0 0 3 -2,-0.6 2,-0.2 -14,-0.2 312,-0.1 -0.258 8.8-135.8 -78.8 164.8 104.2 76.8 37.7 96 101 A D > - 0 0 21 311,-0.0 4,-1.3 268,-0.0 5,-0.2 -0.426 37.4 -87.7-106.4-171.7 108.0 76.5 37.9 97 102 A S H > S+ 0 0 17 -2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.802 123.3 45.4 -69.7 -30.4 110.5 79.2 38.8 98 103 A A H > S+ 0 0 0 2,-0.2 4,-2.7 3,-0.2 18,-0.3 0.920 109.9 47.6 -81.2 -52.2 110.8 80.4 35.2 99 104 A A H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.897 118.2 45.4 -58.1 -40.6 107.3 80.6 34.0 100 105 A S H X S+ 0 0 0 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.902 112.4 49.0 -68.0 -47.8 106.4 82.5 37.2 101 106 A A H X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 3,-0.4 0.888 110.9 52.2 -60.1 -40.3 109.4 84.8 37.1 102 107 A T H X>S+ 0 0 0 -4,-2.7 4,-2.2 12,-0.3 5,-0.6 0.865 102.6 61.1 -63.5 -38.5 108.6 85.6 33.4 103 108 A A H X5S+ 0 0 0 -4,-1.5 4,-1.0 1,-0.2 331,-0.4 0.803 108.5 38.5 -63.2 -35.0 105.0 86.5 34.3 104 109 A W H <5S+ 0 0 1 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.740 121.5 43.8 -89.7 -22.4 105.8 89.4 36.7 105 110 A S H <5S+ 0 0 0 -4,-1.3 22,-0.9 -5,-0.2 -2,-0.2 0.719 130.0 25.0 -91.0 -19.1 108.7 90.7 34.6 106 111 A T H <5S- 0 0 7 -4,-2.2 -3,-0.2 20,-0.2 -2,-0.2 0.752 91.0-131.3-112.9 -41.7 106.9 90.4 31.2 107 112 A G S < -k 84 0B 17 -2,-0.3 3,-1.6 -28,-0.2 2,-0.4 -0.421 58.5 -88.3 -78.6 159.9 105.1 77.4 29.7 112 117 A N T 3 S+ 0 0 49 -28,-0.6 -1,-0.1 1,-0.2 -26,-0.1 -0.541 114.7 32.9 -71.9 121.9 107.3 76.0 32.4 113 118 A G T 3 S+ 0 0 11 -2,-0.4 48,-1.9 1,-0.4 -1,-0.2 -0.006 89.6 121.9 122.5 -22.1 110.9 76.2 31.4 114 119 A A < - 0 0 0 -3,-1.6 2,-0.5 46,-0.2 -1,-0.4 -0.501 43.5-162.1 -79.4 137.4 110.6 79.4 29.4 115 120 A L B S-L 158 0C 0 43,-1.1 43,-3.2 -2,-0.2 45,-0.1 -0.960 74.5 -20.2-120.1 112.9 112.6 82.6 30.2 116 121 A G S S+ 0 0 0 -2,-0.5 8,-1.5 -18,-0.3 2,-0.3 0.642 111.6 100.7 68.6 18.3 111.3 85.8 28.8 117 122 A V B -M 123 0D 1 6,-0.2 6,-0.2 41,-0.2 -6,-0.2 -0.983 65.0-130.5-137.1 142.6 109.2 84.3 26.0 118 123 A D > - 0 0 3 4,-2.2 3,-1.9 -2,-0.3 -8,-0.2 -0.111 51.2 -82.0 -75.4-175.9 105.5 83.5 25.6 119 124 A I T 3 S+ 0 0 16 338,-0.4 -9,-0.1 -10,-0.3 -1,-0.1 0.702 131.0 61.4 -66.2 -15.3 104.3 80.0 24.5 120 125 A H T 3 S- 0 0 119 337,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.315 116.8-114.3 -88.1 3.4 105.0 80.9 20.8 121 126 A E S < S+ 0 0 91 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.598 70.9 143.3 70.7 14.8 108.7 81.4 21.8 122 127 A K - 0 0 121 1,-0.1 -4,-2.2 0, 0.0 -1,-0.3 -0.654 49.5-118.9 -86.9 138.1 108.3 85.1 21.0 123 128 A D B -M 117 0D 54 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.499 26.5-175.8 -82.8 144.1 110.2 87.6 23.1 124 129 A H - 0 0 30 -8,-1.5 2,-0.2 -2,-0.2 -17,-0.1 -0.938 33.6-102.7-131.0 149.5 108.6 90.3 25.3 125 130 A P - 0 0 73 0, 0.0 2,-0.1 0, 0.0 30,-0.1 -0.540 30.4-130.1 -78.2 145.8 110.6 92.9 27.2 126 131 A T > - 0 0 0 28,-0.2 4,-2.0 -2,-0.2 3,-0.4 -0.444 26.3-108.0 -85.3 165.3 111.1 92.6 31.1 127 132 A I H > S+ 0 0 0 -22,-0.9 4,-1.4 1,-0.2 -21,-0.1 0.740 119.8 60.3 -68.8 -19.7 110.5 95.4 33.5 128 133 A L H > S+ 0 0 1 26,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.902 106.1 47.1 -72.1 -40.2 114.2 95.8 34.0 129 134 A E H > S+ 0 0 56 -3,-0.4 4,-2.2 25,-0.3 -2,-0.2 0.951 112.7 46.7 -65.3 -51.0 114.6 96.6 30.3 130 135 A M H X S+ 0 0 25 -4,-2.0 4,-1.7 2,-0.2 314,-0.2 0.831 112.2 54.6 -60.8 -32.3 111.8 99.1 30.2 131 136 A A H >X>S+ 0 0 0 -4,-1.4 5,-0.9 -5,-0.2 4,-0.7 0.997 107.8 46.2 -63.4 -62.0 113.3 100.5 33.3 132 137 A K H ><5S+ 0 0 63 -4,-2.7 3,-0.9 1,-0.3 -2,-0.2 0.811 110.2 54.7 -47.6 -43.3 116.8 101.0 31.7 133 138 A A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.917 104.3 54.4 -59.7 -44.5 115.3 102.6 28.6 134 139 A A H <<5S- 0 0 58 -4,-1.7 -1,-0.2 -3,-0.7 -2,-0.2 0.604 122.9-104.2 -67.1 -13.3 113.4 105.2 30.7 135 140 A G T <<5S+ 0 0 34 -3,-0.9 175,-0.2 -4,-0.7 -3,-0.2 0.074 76.5 133.3 112.9 -24.2 116.6 106.3 32.4 136 141 A L < - 0 0 17 -5,-0.9 -1,-0.3 174,-0.2 176,-0.2 -0.052 59.8-110.8 -58.1 157.7 116.2 104.6 35.7 137 142 A A E -e 312 0A 3 174,-2.0 176,-1.7 168,-0.2 2,-0.4 -0.612 35.2-151.0 -86.1 154.4 119.0 102.6 37.4 138 143 A T E -e 313 0A 0 -2,-0.2 59,-2.0 174,-0.2 58,-0.5 -0.978 13.6-174.7-132.8 145.6 118.4 98.9 37.6 139 144 A G E -ef 314 197A 0 174,-2.5 176,-1.1 -2,-0.4 2,-0.4 -0.984 10.4-171.8-140.2 151.7 119.5 96.2 40.0 140 145 A N E +ef 315 198A 1 57,-2.4 59,-2.2 -2,-0.3 2,-0.4 -0.939 15.1 169.1-143.9 109.8 119.3 92.5 40.3 141 146 A V E +ef 316 199A 0 174,-3.2 176,-0.8 -2,-0.4 2,-0.3 -0.960 5.8 151.2-124.8 145.7 120.4 90.7 43.4 142 147 A S E -e 317 0A 0 57,-1.8 176,-0.2 -2,-0.4 4,-0.1 -0.966 46.4-130.1-162.2 162.3 119.9 87.1 44.5 143 148 A T E S+ 0 0 2 174,-1.1 116,-2.6 -2,-0.3 2,-0.1 0.349 88.2 81.2 -96.9 -5.0 121.5 84.3 46.5 144 149 A A E S- 0 0 0 114,-0.2 57,-2.3 173,-0.2 2,-0.2 -0.444 104.8 -73.4 -92.8 171.2 121.2 81.8 43.7 145 150 A E E > - f 0 201A 21 55,-0.2 3,-3.0 1,-0.2 57,-0.3 -0.530 49.1-119.0 -65.5 132.1 123.5 81.5 40.7 146 151 A L T 3 S+ 0 0 0 55,-2.6 -1,-0.2 1,-0.3 56,-0.1 0.696 112.8 62.7 -46.3 -23.6 122.7 84.6 38.5 147 152 A Q T 3 S+ 0 0 1 4,-0.1 -1,-0.3 54,-0.1 39,-0.1 0.563 78.5 113.6 -81.0 -9.2 121.7 82.2 35.7 148 153 A H S <> S- 0 0 17 -3,-3.0 4,-2.3 1,-0.1 5,-0.2 -0.267 84.8-102.3 -61.3 151.2 118.9 80.7 37.8 149 154 A A H > S+ 0 0 4 1,-0.2 4,-2.6 3,-0.2 -1,-0.1 0.784 111.2 53.2 -44.0 -49.2 115.4 81.5 36.5 150 155 A T H 4 S+ 0 0 1 2,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.869 117.2 32.5 -63.5 -49.4 114.4 84.3 38.9 151 156 A P H >4 S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.929 121.7 53.2 -74.7 -36.0 117.2 86.7 38.5 152 157 A A H >X S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 4,-1.2 0.824 88.8 75.1 -63.3 -38.2 117.6 85.7 34.9 153 158 A A T 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.3 -37,-0.1 0.422 95.4 54.2 -58.0 1.7 114.0 86.2 33.8 154 159 A L T <4 S+ 0 0 0 -3,-1.1 -25,-0.3 -28,-0.1 -1,-0.3 0.588 118.3 28.6-108.1 -21.1 114.7 90.0 33.8 155 160 A V T <4 S+ 0 0 4 -3,-2.1 2,-0.3 -4,-0.3 38,-0.3 0.314 113.3 58.4-123.2 7.4 117.7 90.0 31.5 156 161 A A < - 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0 0 0 -4,-1.0 5,-2.2 -8,-0.4 7,-0.0 -0.299 67.9-134.0 -53.0 129.2 122.7 80.0 20.3 178 183 A L T > 5S+ 0 0 46 3,-0.2 3,-1.6 1,-0.2 4,-0.2 0.938 105.8 52.7 -54.0 -48.4 124.8 83.0 19.5 179 184 A E T 3 5S+ 0 0 76 1,-0.3 2,-0.8 2,-0.2 -1,-0.2 0.945 105.1 55.6 -51.4 -54.2 126.4 81.0 16.6 180 185 A K T 3 5S- 0 0 123 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.067 131.9 -91.3 -72.6 29.9 123.0 80.2 15.2 181 186 A G T < 5S+ 0 0 74 -3,-1.6 2,-0.2 -2,-0.8 -3,-0.2 0.778 84.4 137.6 67.7 29.8 122.1 83.9 15.1 182 187 A G < - 0 0 11 -5,-2.2 -1,-0.2 -4,-0.2 -6,-0.2 -0.659 68.7-109.6-105.6 164.1 120.6 84.0 18.5 183 188 A K - 0 0 118 -2,-0.2 2,-0.2 1,-0.2 -6,-0.1 0.772 69.4-115.7 -62.0 -26.8 120.8 86.6 21.3 184 189 A G - 0 0 0 -8,-1.7 -1,-0.2 -11,-0.1 -27,-0.2 -0.518 38.7 -36.8 118.4 172.4 122.9 84.2 23.4 185 190 A S > - 0 0 0 -2,-0.2 4,-2.5 -3,-0.1 5,-0.3 -0.135 66.5 -97.1 -63.1 165.2 123.0 82.1 26.5 186 191 A I H > S+ 0 0 0 -23,-2.5 4,-2.4 1,-0.2 5,-0.2 0.940 126.3 49.3 -50.9 -53.6 121.5 83.5 29.7 187 192 A T H > S+ 0 0 0 -23,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.886 112.0 49.0 -52.9 -46.6 124.9 84.7 31.0 188 193 A E H > S+ 0 0 6 -24,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.854 112.5 45.9 -64.9 -39.9 125.6 86.4 27.6 189 194 A Q H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.807 110.9 54.6 -74.1 -27.2 122.2 88.1 27.5 190 195 A L H X S+ 0 0 5 -4,-2.4 4,-1.7 -5,-0.3 5,-0.4 0.964 107.6 49.3 -66.0 -48.3 122.7 89.1 31.2 191 196 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.722 113.8 48.4 -61.7 -23.2 126.0 90.7 30.2 192 197 A N H < S+ 0 0 82 -4,-0.9 -1,-0.2 -37,-0.2 -2,-0.2 0.901 102.4 58.2 -83.6 -46.9 124.3 92.5 27.4 193 198 A A H < S- 0 0 18 -4,-2.6 -2,-0.2 -38,-0.3 -3,-0.1 0.868 88.5-162.3 -50.5 -41.3 121.3 93.9 29.4 194 199 A R < - 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0 0 15 -484,-0.2 -804,-0.2 -43,-0.1 -44,-0.2 -0.283 63.5-108.7 -61.3 137.2 99.7 77.8 57.8 856 416 B Q - 0 0 1 -806,-0.6 2,-0.3 -46,-0.1 -331,-0.2 -0.306 47.3-162.8 -61.7 148.8 98.3 81.3 58.2 857 417 B L E -X 524 0J 2 -333,-1.6 -333,-2.2 -49,-0.1 -363,-0.1 -0.876 18.7 -67.3-137.5 173.7 95.4 81.8 55.9 858 418 B R E -X 523 0J 10 -2,-0.3 -50,-0.6 -335,-0.2 2,-0.4 -0.183 32.4-179.3 -62.1 142.3 93.1 84.2 54.2 859 419 B I E -XD 522 807J 2 -337,-2.0 -337,-1.9 -52,-0.2 2,-0.4 -0.976 13.9-179.4-140.4 122.5 90.6 86.5 55.9 860 420 B A E +XD 521 806J 0 -54,-2.2 -54,-2.7 -2,-0.4 2,-0.3 -0.998 1.7 178.4-133.3 139.6 88.6 88.7 53.6 861 421 B A E -XD 520 805J 0 -341,-2.7 -341,-1.7 -2,-0.4 2,-0.3 -0.952 18.0-163.6-142.3 160.6 85.9 91.3 54.3 862 422 B Y E + D 0 804J 60 -58,-2.2 -58,-2.7 -2,-0.3 -344,-0.0 -1.000 55.5 30.7-139.2 133.3 83.5 93.8 52.8 863 423 B G S > S- 0 0 11 -2,-0.3 3,-1.5 -387,-0.3 -385,-0.5 -0.776 95.4 -5.9 122.5-167.5 81.7 96.6 54.7 864 424 B P T 3 S+ 0 0 3 0, 0.0 -385,-0.2 0, 0.0 -382,-0.1 -0.377 129.2 10.4 -65.4 144.6 82.1 98.9 57.7 865 425 B H T > S+ 0 0 18 -387,-3.0 3,-1.3 1,-0.1 -841,-0.1 0.546 87.4 129.2 65.3 9.1 85.2 98.2 59.8 866 426 B A G X + 0 0 1 -3,-1.5 3,-2.3 -388,-0.3 4,-0.4 0.745 53.2 76.9 -68.2 -23.3 86.6 95.8 57.2 867 427 B A G > S+ 0 0 2 -389,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.741 80.8 73.2 -56.5 -23.2 90.0 97.5 57.1 868 428 B N G < S+ 0 0 7 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.514 88.2 60.6 -71.6 -4.2 90.6 95.7 60.4 869 429 B V G < S+ 0 0 5 -3,-2.3 -1,-0.2 4,-0.1 -2,-0.2 0.687 86.7 98.4 -94.0 -22.5 90.9 92.4 58.4 870 430 B V S < S+ 0 0 1 -3,-1.0 -348,-0.3 -4,-0.4 2,-0.2 -0.315 75.5 12.1 -70.7 148.8 93.9 93.7 56.4 871 431 B G E S-y 522 0J 0 -350,-0.7 -348,-1.2 -2,-0.1 2,-0.4 -0.504 113.3 -31.7 84.1-163.7 97.6 92.9 57.1 872 432 B L E S+y 523 0J 2 -801,-0.4 2,-0.2 -350,-0.2 -348,-0.2 -0.790 75.3 151.4 -90.7 132.6 98.7 90.3 59.6 873 433 B T E -y 524 0J 5 -350,-1.3 -348,-1.7 -2,-0.4 2,-0.3 -0.758 38.9-106.8-141.9-168.7 96.2 89.7 62.5 874 434 B D E >> -y 525 0J 0 -350,-0.3 3,-1.0 -2,-0.2 4,-0.9 -0.912 27.6-112.8-128.3 155.6 95.2 86.9 64.8 875 435 B Q H >> S+ 0 0 1 -350,-2.2 4,-0.6 -2,-0.3 3,-0.5 0.837 119.1 55.0 -53.0 -36.8 92.0 84.9 64.9 876 436 B T H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.741 95.5 65.2 -68.9 -32.0 91.2 86.5 68.3 877 437 B D H <> S+ 0 0 1 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.825 91.7 66.6 -58.6 -34.7 91.5 90.0 66.8 878 438 B L H S+ 0 0 54 -4,-2.5 5,-2.4 -5,-0.2 4,-0.8 0.894 116.5 44.1 -56.7 -39.2 82.6 93.5 68.9 884 444 B A H <5S+ 0 0 54 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.887 109.9 54.2 -73.2 -42.8 83.8 97.0 67.9 885 445 B A H <5S+ 0 0 0 -4,-2.3 -403,-1.3 1,-0.2 -2,-0.2 0.890 113.3 42.4 -58.0 -45.1 82.0 97.1 64.6 886 446 B L H <5S- 0 0 25 -4,-2.5 -1,-0.2 -405,-0.2 -2,-0.2 0.643 111.7-119.7 -78.3 -16.3 78.6 96.4 66.3 887 447 B G T <5 + 0 0 63 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.793 52.1 168.5 79.6 28.1 79.4 98.8 69.2 888 448 B L < 0 0 19 -5,-2.4 -1,-0.2 -6,-0.2 -312,-0.1 -0.400 360.0 360.0 -73.2 151.4 79.1 96.0 71.8 889 449 B K 0 0 130 -314,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.886 360.0 360.0 -92.5 360.0 80.3 96.6 75.4