==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ALKALINE PHOSPHATASE) 30-NOV-95 1HQA . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.MA,E.R.KANTROWITZ . 892 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 8.6 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 0.4 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 . 51 5.7 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 . 208 23.3 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 4 2 2 7 3 0 2 2 4 0 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 2 4 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 3 1 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 . 2 2 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 81 0, 0.0 32,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 106.0 67.4 47.2 10.6 2 5 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 418,-0.1 -0.418 360.0-145.2 -79.8 150.1 63.9 46.9 12.2 3 6 A V - 0 0 31 -2,-0.1 2,-0.8 72,-0.1 72,-0.2 -0.787 42.9 -93.3-103.9 156.0 62.9 46.5 15.9 4 7 A L - 0 0 22 70,-2.5 3,-0.2 -2,-0.3 69,-0.0 -0.642 42.9-169.9 -69.8 107.9 59.8 44.3 16.6 5 8 A E + 0 0 175 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.822 67.3 4.6 -72.8 -35.2 57.2 47.0 16.8 6 9 A N + 0 0 78 -3,-0.1 -1,-0.3 15,-0.1 64,-0.0 -0.761 51.6 157.1-159.0 111.7 54.4 44.9 18.1 7 10 A R + 0 0 10 -2,-0.3 2,-0.2 -3,-0.2 62,-0.1 -0.126 40.3 125.7-123.3 34.8 54.3 41.3 19.2 8 11 A A S S- 0 0 21 1,-0.2 59,-0.2 60,-0.1 60,-0.1 -0.487 82.3 -73.1 -82.7 157.0 51.3 41.5 21.5 9 12 A A - 0 0 21 57,-2.8 12,-0.2 -2,-0.2 10,-0.2 -0.324 47.5-135.9 -48.0 133.8 48.4 39.0 20.8 10 13 A Q - 0 0 83 10,-2.9 9,-0.2 7,-0.3 2,-0.2 0.640 66.8 -27.4 -76.9 -10.2 46.9 40.3 17.6 11 14 A G S S+ 0 0 48 7,-2.7 2,-0.9 9,-0.2 7,-0.1 -0.500 107.0 3.9-162.2-131.2 43.2 39.9 18.6 12 15 A D > - 0 0 93 1,-0.2 3,-2.5 -2,-0.2 6,-0.3 -0.733 50.6-151.2 -87.5 113.8 40.8 38.0 20.7 13 16 A I T 3 S+ 0 0 31 -2,-0.9 545,-0.6 1,-0.3 6,-0.2 0.672 95.1 53.6 -48.7 -34.1 42.7 35.6 22.9 14 17 A T T 3 S+ 0 0 26 4,-0.1 554,-0.4 543,-0.1 -1,-0.3 0.569 99.0 79.5 -82.2 -11.6 39.7 33.2 22.9 15 18 A A S X S- 0 0 32 -3,-2.5 3,-2.8 1,-0.1 4,-0.5 -0.694 96.0 -82.5-102.2 155.3 39.3 33.1 19.2 16 19 A P T 3 S- 0 0 72 0, 0.0 541,-0.2 0, 0.0 -4,-0.1 -0.210 116.9 -0.8 -51.9 127.9 41.2 31.1 16.4 17 20 A G T > S+ 0 0 16 539,-2.4 3,-0.8 1,-0.1 -7,-0.3 0.417 100.7 114.5 70.0 -2.0 44.4 33.0 15.6 18 21 A G T < S+ 0 0 7 -3,-2.8 -7,-2.7 -6,-0.3 -5,-0.3 0.752 73.8 50.8 -73.3 -21.9 43.5 35.8 18.1 19 22 A A T 3 S+ 0 0 3 -4,-0.5 -1,-0.2 537,-0.3 862,-0.2 0.454 82.2 122.7 -91.7 -4.2 46.5 35.0 20.4 20 23 A R < - 0 0 67 -3,-0.8 -10,-2.9 536,-0.2 -9,-0.2 -0.314 45.6-164.9 -58.3 142.0 49.1 35.1 17.6 21 24 A R S S+ 0 0 2 -12,-0.2 2,-0.3 857,-0.1 -1,-0.1 0.534 70.5 71.0-102.9 -12.7 51.9 37.5 18.0 22 25 A L - 0 0 6 1,-0.1 -12,-0.1 -15,-0.1 3,-0.1 -0.829 54.4-170.5-104.7 149.4 53.0 37.4 14.4 23 26 A T S S- 0 0 106 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.382 70.2 -14.4-117.0 0.5 51.1 38.8 11.4 24 27 A G S S- 0 0 34 848,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.973 95.8 -38.4 179.9-177.0 53.1 37.2 8.6 25 28 A D - 0 0 72 -2,-0.3 4,-0.3 1,-0.1 3,-0.1 -0.375 40.0-157.2 -68.4 138.5 56.3 35.5 7.6 26 29 A Q > + 0 0 26 843,-0.2 4,-2.0 1,-0.1 5,-0.2 0.525 64.7 97.1 -96.2 -7.4 59.4 36.7 9.4 27 30 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.909 86.3 44.7 -49.7 -53.7 62.2 35.6 7.0 28 31 A A H > S+ 0 0 55 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.921 112.4 52.3 -62.5 -43.0 62.6 38.9 5.2 29 32 A A H 4 S+ 0 0 35 -4,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.827 109.5 49.6 -61.2 -33.7 62.5 40.9 8.4 30 33 A L H >X S+ 0 0 4 -4,-2.0 3,-1.4 -3,-0.5 4,-0.6 0.908 106.9 55.2 -73.0 -37.1 65.3 38.6 9.9 31 34 A R H >< S+ 0 0 98 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.938 106.5 51.5 -59.8 -44.5 67.4 39.0 6.8 32 35 A D T 3< S+ 0 0 105 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.582 103.4 59.7 -68.8 -10.9 67.2 42.8 7.3 33 36 A S T <4 S+ 0 0 6 -3,-1.4 2,-0.6 -4,-0.2 387,-0.3 0.593 86.2 94.8 -89.8 -12.5 68.3 42.4 10.9 34 37 A L << + 0 0 13 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.0 -0.751 44.8 148.1 -86.7 113.5 71.6 40.8 9.9 35 38 A S - 0 0 21 -2,-0.6 387,-2.9 385,-0.4 388,-0.3 -0.949 31.9-170.5-150.4 130.2 74.7 43.0 9.6 36 39 A D + 0 0 74 -2,-0.3 3,-0.1 385,-0.2 -1,-0.1 0.219 49.1 128.6 -98.8 10.6 78.4 42.5 10.1 37 40 A K S S- 0 0 129 1,-0.1 -2,-0.1 0, 0.0 2,-0.0 -0.253 72.8 -90.8 -61.3 156.1 79.3 46.2 9.8 38 41 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 405,-0.2 -0.413 38.1-125.8 -67.4 150.2 81.3 47.5 12.7 39 42 A A - 0 0 8 403,-2.2 320,-0.2 1,-0.2 3,-0.1 -0.783 13.0-162.1 -94.9 141.7 79.4 48.9 15.6 40 43 A K S S+ 0 0 76 318,-2.8 274,-0.6 -2,-0.4 2,-0.3 0.817 76.2 20.0 -91.7 -29.9 80.3 52.4 16.6 41 44 A N E -ab 314 359A 5 317,-1.9 319,-2.0 272,-0.2 2,-0.4 -0.905 62.2-153.5-136.2 162.5 78.7 52.1 20.0 42 45 A I E -ab 315 360A 0 272,-2.1 274,-2.4 -2,-0.3 2,-0.5 -0.998 4.5-172.3-137.9 127.8 77.5 49.4 22.4 43 46 A I E -ab 316 361A 0 317,-2.4 319,-2.1 -2,-0.4 2,-0.6 -0.989 10.8-168.8-117.4 113.2 74.8 49.7 25.0 44 47 A L E -ab 317 362A 0 272,-2.9 274,-3.2 -2,-0.5 2,-0.6 -0.938 2.7-165.2-103.8 118.6 74.7 46.6 27.2 45 48 A L E -ab 318 363A 0 317,-3.5 319,-2.5 -2,-0.6 2,-0.5 -0.924 3.1-166.3-111.2 126.0 71.6 46.3 29.5 46 49 A I E -ab 319 364A 0 272,-2.9 274,-2.8 -2,-0.6 2,-0.8 -0.904 14.3-164.1-114.3 120.3 71.6 43.9 32.4 47 50 A G E > -ab 320 365A 0 317,-3.0 3,-1.6 -2,-0.5 319,-0.5 -0.915 31.5-132.1 -94.7 112.1 68.6 42.8 34.3 48 51 A D T 3 S- 0 0 1 272,-2.0 276,-0.7 -2,-0.8 3,-0.1 -0.546 87.9 -4.0 -69.8 120.3 70.3 41.3 37.4 49 52 A G T 3 S+ 0 0 0 -2,-0.4 2,-2.1 318,-0.3 -1,-0.3 0.516 92.5 144.3 77.2 5.0 68.6 37.9 38.0 50 53 A M < + 0 0 4 -3,-1.6 -1,-0.2 314,-0.1 -3,-0.2 -0.495 21.1 161.4 -81.2 76.4 66.2 38.6 35.1 51 54 A G > - 0 0 1 -2,-2.1 4,-1.9 -3,-0.1 5,-0.2 -0.184 60.6 -82.7 -81.6-175.6 65.8 35.1 33.7 52 55 A D H > S+ 0 0 8 1,-0.2 4,-2.6 361,-0.2 808,-0.5 0.892 129.7 56.6 -60.0 -33.5 63.0 34.0 31.5 53 56 A S H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 106.5 48.2 -65.1 -45.2 60.8 33.4 34.5 54 57 A E H > S+ 0 0 2 -5,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 111.6 50.2 -62.6 -38.3 61.2 36.9 35.8 55 58 A I H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.938 111.9 47.7 -66.6 -44.5 60.4 38.4 32.3 56 59 A T H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.949 112.1 49.7 -61.2 -44.4 57.2 36.3 31.9 57 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.890 112.6 46.0 -63.9 -43.1 56.0 37.2 35.4 58 61 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.840 113.9 49.4 -69.2 -35.3 56.5 41.0 34.9 59 62 A R H X>S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-1.2 0.967 110.7 48.9 -67.5 -54.2 54.9 40.9 31.4 60 63 A N H X5S+ 0 0 5 -4,-2.9 4,-0.7 3,-0.2 330,-0.5 0.915 118.4 41.6 -48.9 -48.3 51.8 38.9 32.7 61 64 A Y H <5S+ 0 0 23 -4,-2.1 329,-2.1 -5,-0.2 -2,-0.2 0.966 126.9 27.5 -68.2 -53.6 51.4 41.4 35.6 62 65 A A H <5S+ 0 0 24 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.790 137.7 18.8 -82.5 -33.9 52.1 44.7 33.8 63 66 A E H <5S- 0 0 56 -4,-3.3 -3,-0.2 -5,-0.4 -2,-0.1 0.472 105.9-110.5-117.9 -4.0 51.1 44.1 30.2 64 67 A G ><< - 0 0 0 -5,-1.2 3,-2.4 -4,-0.7 -3,-0.1 0.162 41.8 -75.3 87.3 151.1 48.9 41.0 30.5 65 68 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.2 -5,-0.3 -5,-0.1 0.817 136.5 42.7 -50.5 -39.8 49.8 37.6 29.2 66 69 A G T 3 S+ 0 0 14 -6,-0.1 -57,-2.8 -3,-0.1 -1,-0.3 0.353 99.4 103.9 -90.2 3.9 49.2 38.6 25.6 67 70 A G < - 0 0 10 -3,-2.4 2,-0.3 -59,-0.2 -3,-0.1 -0.023 61.2-138.9 -74.0-169.0 50.9 41.9 26.1 68 71 A F - 0 0 2 -5,-0.1 2,-0.7 -9,-0.1 -60,-0.1 -0.987 13.0-124.7-157.5 132.0 54.3 42.9 25.0 69 72 A F > - 0 0 1 -2,-0.3 4,-1.5 1,-0.2 5,-0.4 -0.747 20.3-148.6 -80.1 114.8 57.3 44.9 26.6 70 73 A K T 4 S+ 0 0 93 -2,-0.7 -1,-0.2 3,-0.1 -66,-0.0 0.701 93.9 25.6 -55.6 -27.8 58.0 47.7 24.1 71 74 A G T >4 S+ 0 0 0 2,-0.1 3,-1.4 3,-0.1 4,-0.4 0.797 125.1 40.3 -98.1 -68.5 61.7 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 0.780 123.4 38.4 -52.1 -36.2 62.6 44.1 26.5 73 76 A D T 3< S+ 0 0 0 -4,-1.5 803,-0.5 1,-0.2 -1,-0.3 0.532 98.7 79.2 -96.1 -6.1 60.6 42.0 23.9 74 77 A A < + 0 0 3 -3,-1.4 -70,-2.5 -5,-0.4 -1,-0.2 0.594 62.8 106.6 -81.7 -8.2 61.3 44.2 21.0 75 78 A L - 0 0 0 -3,-0.4 801,-0.2 -4,-0.4 344,-0.1 -0.523 57.5-155.5 -73.1 126.6 64.8 42.9 20.3 76 79 A P S S+ 0 0 4 0, 0.0 2,-0.6 0, 0.0 343,-0.1 0.743 70.4 63.8 -78.6 -21.9 64.7 40.7 17.2 77 80 A L E +C 418 0A 1 341,-1.6 341,-2.6 797,-0.1 2,-0.3 -0.916 67.3 174.4-108.0 122.9 67.7 38.3 17.6 78 81 A T E +C 417 0A 0 -2,-0.6 350,-0.7 447,-0.5 447,-0.5 -0.953 10.4 149.2-130.5 153.8 67.4 36.0 20.5 79 82 A G E -Cd 416 428A 0 337,-2.6 337,-1.8 -2,-0.3 2,-0.4 -0.820 38.6-104.2-159.7-170.2 69.3 33.1 22.0 80 83 A Q E -Cd 415 429A 0 348,-2.1 350,-1.8 -2,-0.2 2,-0.3 -0.990 31.0-163.8-129.9 137.6 70.1 31.4 25.3 81 84 A Y E -Cd 414 430A 0 333,-2.5 333,-1.6 -2,-0.4 2,-0.3 -0.926 14.9-129.9-129.3 151.8 73.4 31.6 27.1 82 85 A T E - d 0 431A 6 348,-1.8 350,-2.4 -2,-0.3 351,-0.2 -0.777 17.9-179.7 -94.0 146.4 75.1 29.6 29.9 83 86 A H + 0 0 3 -2,-0.3 14,-0.2 328,-0.3 22,-0.1 0.048 20.2 153.0-135.5 26.2 76.7 31.4 32.9 84 87 A Y - 0 0 11 428,-0.1 11,-0.2 12,-0.1 2,-0.1 -0.215 30.8-145.4 -57.1 150.6 78.2 28.8 35.1 85 88 A A E -J 94 0B 2 9,-2.6 9,-2.6 26,-0.1 2,-0.3 -0.274 17.1-102.9-102.9-171.7 81.2 29.8 37.3 86 89 A L E -Jk 93 113B 1 26,-2.2 2,-0.6 7,-0.3 28,-0.6 -0.891 21.7-117.0-117.3 150.4 84.3 27.9 38.4 87 90 A N > - 0 0 63 5,-3.5 4,-2.6 -2,-0.3 5,-0.1 -0.777 27.1-143.5 -79.7 125.6 85.3 26.2 41.7 88 91 A K T 4 S+ 0 0 79 -2,-0.6 -1,-0.2 1,-0.2 25,-0.1 0.882 93.9 43.9 -58.9 -39.7 88.3 28.2 42.8 89 92 A K T 4 S+ 0 0 190 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.945 128.0 23.0 -71.5 -51.6 90.1 25.2 44.2 90 93 A T T 4 S- 0 0 81 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.639 89.0-132.2 -93.7 -19.4 89.5 22.6 41.6 91 94 A G < + 0 0 15 -4,-2.6 -3,-0.1 1,-0.3 3,-0.1 0.556 64.3 130.3 77.7 0.4 88.9 24.7 38.5 92 95 A K - 0 0 86 -5,-0.1 -5,-3.5 1,-0.1 -1,-0.3 -0.491 69.6 -77.8 -81.1 164.7 85.8 22.5 37.7 93 96 A P E -J 86 0B 12 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.296 30.9-154.4 -66.6 144.7 82.4 24.2 37.0 94 97 A D E -J 85 0B 36 -9,-2.6 -9,-2.6 1,-0.1 748,-0.1 -0.988 16.7-147.4-115.9 108.7 80.3 25.6 39.8 95 98 A Y S S+ 0 0 6 -2,-0.6 2,-0.5 746,-0.3 -12,-0.2 0.614 79.1 52.7 -61.1 -15.7 76.8 25.4 38.3 96 99 A V S S- 0 0 6 725,-0.1 -1,-0.2 -12,-0.1 315,-0.1 -0.922 74.1-161.0-129.1 111.1 75.4 28.4 40.0 97 100 A T - 0 0 2 -2,-0.5 2,-0.2 -14,-0.2 312,-0.1 -0.332 10.0-136.5 -81.2 159.6 77.2 31.7 39.6 98 101 A D > - 0 0 20 -2,-0.1 4,-1.5 269,-0.0 5,-0.2 -0.505 39.7 -92.5-101.8-179.4 76.9 34.8 41.8 99 102 A S H > S+ 0 0 4 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.805 121.2 56.0 -64.5 -28.7 76.8 38.4 40.2 100 103 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 18,-0.3 0.964 107.2 43.1 -74.9 -50.4 80.5 38.8 40.5 101 104 A A H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 118.2 48.0 -61.9 -37.3 81.8 35.8 38.6 102 105 A S H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 5,-0.3 0.911 110.0 49.4 -71.1 -43.0 79.2 36.4 35.9 103 106 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.896 111.3 51.9 -62.3 -37.1 79.9 40.1 35.5 104 107 A T H X>S+ 0 0 0 -4,-2.2 4,-2.2 12,-0.3 6,-0.5 0.886 105.3 57.3 -63.5 -40.7 83.6 39.3 35.3 105 108 A A H X5S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 331,-0.2 0.952 112.5 36.7 -58.9 -52.6 82.9 36.7 32.5 106 109 A W H <5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.752 119.9 51.0 -76.8 -21.1 81.2 39.1 30.1 107 110 A S H <5S+ 0 0 0 -4,-1.5 22,-1.8 -5,-0.3 -2,-0.2 0.779 129.3 12.9 -88.6 -16.3 83.5 41.9 31.0 108 111 A T H <5S- 0 0 8 -4,-2.2 -3,-0.2 20,-0.2 -2,-0.2 0.543 94.2-121.3-127.6 -17.4 86.9 40.1 30.6 109 112 A G S < -k 86 0B 18 -2,-0.2 3,-2.2 -28,-0.2 -26,-0.1 -0.584 58.1 -82.6 -94.9 156.4 85.1 31.9 41.0 114 117 A N T 3 S+ 0 0 52 -28,-0.6 -1,-0.1 1,-0.3 3,-0.1 -0.281 116.0 24.5 -58.3 130.6 82.1 33.2 42.9 115 118 A G T 3 S+ 0 0 13 1,-0.3 48,-2.1 47,-0.1 -1,-0.3 0.142 93.0 122.5 103.3 -17.7 82.9 36.5 44.6 116 119 A A < - 0 0 0 -3,-2.2 2,-0.5 46,-0.2 -1,-0.3 -0.482 43.1-161.0 -82.9 148.0 85.7 37.5 42.3 117 120 A L B -L 160 0C 0 43,-2.2 43,-2.0 -2,-0.2 45,-0.1 -0.962 69.7 -20.0-131.9 115.2 85.8 40.7 40.4 118 121 A G S S+ 0 0 0 -2,-0.5 8,-1.9 -18,-0.3 2,-0.3 0.577 112.0 92.6 70.7 15.2 88.2 41.2 37.4 119 122 A V B -M 125 0D 1 6,-0.2 6,-0.2 41,-0.2 -1,-0.2 -0.919 67.2-129.6-134.9 157.2 90.6 38.4 38.3 120 123 A D > - 0 0 7 4,-1.9 3,-2.0 -2,-0.3 -8,-0.2 -0.162 49.3 -74.9 -95.1-166.6 90.7 34.7 37.3 121 124 A I T 3 S+ 0 0 18 -10,-0.4 -9,-0.1 340,-0.3 -30,-0.0 0.676 134.9 53.3 -66.8 -13.6 91.0 31.7 39.5 122 125 A H T 3 S- 0 0 141 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.240 119.9-112.9 -97.1 8.7 94.7 32.4 40.1 123 126 A E < + 0 0 95 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.749 66.4 151.6 66.5 26.0 93.7 35.9 41.1 124 127 A K - 0 0 119 1,-0.0 -4,-1.9 0, 0.0 -1,-0.3 -0.713 46.1-117.5 -87.0 142.0 95.3 37.4 38.1 125 128 A D B -M 119 0D 56 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.455 27.0-169.1 -74.9 145.9 93.9 40.6 36.7 126 129 A H - 0 0 19 -8,-1.9 -17,-0.1 -2,-0.1 -16,-0.1 -0.998 29.3-106.9-134.3 136.6 92.4 40.8 33.2 127 130 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 30,-0.1 -0.361 34.2-131.9 -63.7 143.6 91.4 44.0 31.5 128 131 A T > - 0 0 0 28,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.568 21.9-108.9 -92.5 163.8 87.7 44.7 31.2 129 132 A I H > S+ 0 0 0 -22,-1.8 4,-2.4 1,-0.2 5,-0.2 0.805 120.9 53.9 -58.4 -31.4 85.8 45.8 28.1 130 133 A L H > S+ 0 0 0 2,-0.2 4,-2.6 26,-0.2 -1,-0.2 0.937 108.5 46.6 -71.2 -44.5 85.4 49.3 29.7 131 134 A E H > S+ 0 0 57 25,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.910 115.8 47.6 -63.8 -37.3 89.2 49.7 30.3 132 135 A M H X S+ 0 0 36 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.917 110.4 50.1 -69.7 -41.1 89.8 48.5 26.7 133 136 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.2 4,-0.2 0.932 112.6 48.2 -62.7 -42.8 87.2 50.8 25.2 134 137 A K H ><5S+ 0 0 55 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.935 107.0 55.3 -63.7 -43.1 88.8 53.7 27.1 135 138 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.875 106.3 52.8 -59.9 -36.4 92.3 52.7 25.9 136 139 A A T 3<5S- 0 0 52 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.436 124.7-102.1 -78.3 -1.3 91.0 52.9 22.3 137 140 A G T < 5S+ 0 0 32 -3,-2.2 175,-0.3 1,-0.3 -3,-0.2 0.569 74.7 138.8 94.3 5.0 89.6 56.4 22.8 138 141 A L < - 0 0 18 -5,-2.3 -1,-0.3 -6,-0.2 176,-0.3 -0.465 57.0-111.7 -82.2 153.3 85.9 55.5 23.2 139 142 A A E -e 314 0A 6 174,-2.6 176,-1.9 168,-0.2 2,-0.4 -0.520 37.3-156.4 -78.4 153.6 83.7 57.3 25.7 140 143 A T E -e 315 0A 0 174,-0.2 59,-2.0 -2,-0.2 58,-0.9 -0.998 14.6-177.0-138.9 141.1 82.5 54.9 28.5 141 144 A G E -ef 316 199A 0 174,-2.0 176,-1.6 -2,-0.4 2,-0.4 -0.988 10.4-166.4-138.6 153.4 79.6 54.9 30.9 142 145 A N E +ef 317 200A 0 57,-2.2 59,-2.0 -2,-0.3 2,-0.4 -0.978 17.9 177.9-142.3 110.9 78.6 52.6 33.8 143 146 A V E +ef 318 201A 0 174,-2.9 176,-2.3 -2,-0.4 2,-0.3 -0.973 7.1 154.7-124.2 135.6 75.0 53.1 35.0 144 147 A S E -e 319 0A 0 57,-2.5 176,-0.2 -2,-0.4 4,-0.1 -0.995 45.5-138.9-156.4 154.7 73.2 51.2 37.7 145 148 A T E S+ 0 0 7 174,-1.3 116,-2.8 -2,-0.3 57,-0.1 0.456 87.9 76.3 -89.3 -7.5 70.4 51.4 40.3 146 149 A A E S- 0 0 0 114,-0.2 57,-2.8 173,-0.2 2,-0.2 -0.278 105.2 -68.0 -88.9-176.3 72.6 49.6 42.9 147 150 A E E > - f 0 203A 35 55,-0.2 3,-2.0 1,-0.1 57,-0.3 -0.538 47.8-123.7 -67.0 143.0 75.5 50.9 44.9 148 151 A L T 3 S+ 0 0 0 55,-1.9 -1,-0.1 1,-0.3 56,-0.1 0.664 111.5 60.4 -65.9 -16.2 78.3 51.5 42.5 149 152 A Q T 3 S+ 0 0 0 4,-0.1 -1,-0.3 5,-0.1 39,-0.1 0.500 82.5 110.4 -86.6 -7.7 80.5 49.2 44.6 150 153 A D S <> S- 0 0 7 -3,-2.0 4,-2.1 1,-0.1 5,-0.3 -0.335 86.5 -96.3 -66.7 158.6 78.1 46.3 44.0 151 154 A A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.774 112.7 53.2 -41.0 -53.2 79.2 43.4 41.7 152 155 A T H 4 S+ 0 0 0 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.878 118.4 29.1 -60.8 -55.5 77.7 44.4 38.4 153 156 A P H >4 S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.809 118.5 60.2 -76.4 -24.3 79.0 47.9 37.9 154 157 A A H >X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-1.7 0.873 90.7 66.8 -69.7 -36.7 82.2 47.2 39.9 155 158 A A T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.1 0.702 95.3 59.6 -58.7 -18.7 83.4 44.4 37.6 156 159 A L T <4 S+ 0 0 0 -3,-0.8 -25,-0.4 -4,-0.2 -1,-0.3 0.755 121.6 19.2 -82.8 -19.5 84.0 46.9 34.8 157 160 A V T <4 S+ 0 0 4 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.366 114.1 64.3-131.3 -1.2 86.5 49.0 36.8 158 161 A A < - 0 0 0 -4,-1.9 2,-0.4 2,-0.1 30,-0.1 -0.935 46.7-164.1-133.4 157.9 87.9 46.9 39.7 159 162 A H + 0 0 10 -2,-0.3 2,-0.3 27,-0.2 -41,-0.2 -0.921 33.8 142.5-138.8 100.8 90.0 43.8 40.2 160 163 A V B -L 117 0C 0 -43,-2.0 -43,-2.2 -2,-0.4 -41,-0.2 -0.959 55.5-122.7-141.2 155.2 89.7 42.5 43.8 161 164 A T S S+ 0 0 31 -2,-0.3 2,-0.3 -45,-0.2 -43,-0.1 0.559 97.8 36.4 -77.2 -14.2 89.7 39.0 45.1 162 165 A S > - 0 0 27 -45,-0.1 3,-2.2 -46,-0.1 -46,-0.2 -0.958 67.9-140.8-144.7 130.6 86.3 39.5 46.9 163 166 A R T 3 S+ 0 0 59 -48,-2.1 -47,-0.1 -2,-0.3 -1,-0.1 0.693 99.3 72.1 -58.4 -20.4 83.2 41.5 45.9 164 167 A K T 3 + 0 0 126 1,-0.2 2,-2.5 -49,-0.2 3,-0.3 0.574 66.1 99.3 -73.5 -8.7 83.0 42.6 49.6 165 168 A a < + 0 0 0 -3,-2.2 23,-2.5 1,-0.2 24,-0.2 -0.324 43.5 152.6 -80.6 64.2 86.0 44.9 49.4 166 169 A Y - 0 0 48 -2,-2.5 23,-2.1 21,-0.2 -1,-0.2 0.884 60.9 -9.2 -57.6 -55.4 83.9 48.0 49.0 167 170 A G S > S- 0 0 0 -3,-0.3 4,-2.3 21,-0.2 5,-0.2 -0.709 93.0 -65.1-133.9-171.0 86.2 50.6 50.5 168 171 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.893 124.2 47.8 -47.9 -48.9 89.4 51.0 52.4 169 172 A S H > S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.923 114.4 41.8 -66.1 -49.2 88.2 49.3 55.6 170 173 A A H > S+ 0 0 21 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.885 114.4 56.2 -64.6 -35.2 86.6 46.2 54.2 171 174 A T H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 8,-0.3 0.918 103.1 50.8 -63.4 -48.4 89.5 45.9 51.8 172 175 A S H < S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.876 119.7 39.7 -55.7 -35.0 92.3 45.8 54.4 173 176 A E H < S+ 0 0 143 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.868 131.3 21.0 -84.8 -37.5 90.4 43.1 56.2 174 177 A K H < S+ 0 0 95 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.713 130.0 36.1-108.0 -23.6 89.1 41.0 53.3 175 178 A a >X + 0 0 0 -4,-2.8 3,-2.4 -5,-0.4 4,-1.4 -0.480 62.9 162.5-129.9 64.8 91.4 41.8 50.4 176 179 A P T 34 S+ 0 0 61 0, 0.0 3,-0.4 0, 0.0 8,-0.3 0.846 76.8 56.5 -50.3 -44.7 94.8 42.3 52.0 177 180 A G T 34 S+ 0 0 63 1,-0.2 8,-0.3 -3,-0.1 9,-0.1 0.638 112.8 40.9 -65.5 -12.8 96.6 41.8 48.7 178 181 A N T <4 S+ 0 0 12 -3,-2.4 8,-2.4 -7,-0.3 -1,-0.2 0.615 84.6 120.9-108.5 -14.2 94.5 44.7 47.2 179 182 A A ><> - 0 0 0 -4,-1.4 3,-2.3 -3,-0.4 5,-2.0 -0.279 64.0-136.7 -57.3 121.9 94.7 47.0 50.2 180 183 A L G > 5S+ 0 0 49 1,-0.3 3,-1.7 3,-0.2 -1,-0.2 0.862 102.6 56.5 -47.4 -43.7 96.3 50.3 49.2 181 184 A E G 3 5S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.624 104.8 52.4 -68.4 -12.7 98.4 50.4 52.3 182 185 A K G < 5S- 0 0 128 -3,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 0.009 129.2 -93.0-106.6 23.1 99.9 47.0 51.6 183 186 A G T < 5S+ 0 0 75 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.428 83.4 134.1 83.3 -1.7 100.9 48.0 48.1 184 187 A G S - 0 0 0 -2,-0.2 4,-3.2 -3,-0.1 5,-0.3 -0.289 63.9 -93.7 -76.8 169.8 89.4 48.9 47.1 188 191 A I H > S+ 0 0 0 -23,-2.5 4,-2.3 1,-0.2 -21,-0.2 0.927 127.6 46.7 -51.5 -49.4 86.6 48.8 44.7 189 192 A T H > S+ 0 0 0 -23,-2.1 4,-2.3 -24,-0.2 -1,-0.2 0.887 113.0 49.5 -64.1 -37.0 85.8 52.5 45.2 190 193 A E H > S+ 0 0 8 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.936 112.4 46.1 -68.2 -42.5 89.4 53.5 44.9 191 194 A Q H X S+ 0 0 10 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.852 110.4 55.7 -68.9 -31.5 89.9 51.5 41.6 192 195 A L H X S+ 0 0 5 -4,-2.3 4,-0.9 -5,-0.3 5,-0.4 0.908 106.6 49.1 -64.3 -46.0 86.6 53.0 40.4 193 196 A L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 113.7 47.5 -63.3 -31.9 88.0 56.5 41.0 194 197 A N H < S+ 0 0 81 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.830 102.0 62.3 -76.3 -36.9 91.2 55.5 39.1 195 198 A A H < S- 0 0 15 -4,-2.5 -1,-0.2 -38,-0.2 -2,-0.2 0.738 85.5-162.1 -61.1 -27.7 89.4 53.9 36.1 196 199 A R < - 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0 0 111 0, 0.0 107,-0.3 0, 0.0 -1,-0.1 -0.356 52.0 -82.3 -72.0 161.2 43.9 38.2 49.4 280 283 A A - 0 0 38 105,-0.1 2,-0.3 107,-0.1 107,-0.3 -0.346 47.8-125.9 -66.7 151.0 45.5 39.0 46.0 281 284 A V B -r 387 0H 22 105,-2.8 107,-2.7 -3,-0.1 2,-0.5 -0.731 14.3-160.1-103.2 145.6 47.9 41.9 45.9 282 285 A T - 0 0 93 -2,-0.3 107,-0.1 105,-0.2 105,-0.0 -0.994 27.9-128.1-119.1 122.7 48.0 45.0 43.7 283 286 A b - 0 0 14 -2,-0.5 -16,-0.2 105,-0.3 -18,-0.0 -0.331 23.4-155.4 -68.7 156.5 51.4 46.6 43.6 284 287 A T E -P 266 0G 75 -18,-2.0 -18,-3.8 -2,-0.0 -1,-0.0 -0.992 22.5 -98.4-136.1 143.9 51.6 50.3 44.4 285 288 A P E -P 265 0G 71 0, 0.0 -20,-0.3 0, 0.0 -21,-0.1 -0.268 42.2-111.4 -59.9 139.8 54.2 53.0 43.4 286 289 A N > - 0 0 9 -22,-2.5 3,-1.0 1,-0.2 4,-0.3 -0.645 17.2-152.9 -77.1 118.8 56.8 53.8 46.0 287 290 A P G > S+ 0 0 111 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.811 95.7 56.6 -63.0 -27.9 56.1 57.3 47.4 288 291 A Q G 3 S+ 0 0 134 1,-0.2 -24,-0.1 2,-0.1 -2,-0.0 0.613 77.5 90.5 -77.1 -16.7 59.9 57.5 48.3 289 292 A R G < S- 0 0 89 -3,-1.0 4,-0.3 -25,-0.1 -1,-0.2 0.788 82.5-166.0 -48.9 -35.4 61.0 56.8 44.7 290 293 A N X - 0 0 91 -3,-0.7 3,-0.6 -4,-0.3 -2,-0.1 0.759 42.4-111.4 64.3 148.9 60.9 60.7 44.2 291 294 A D T 3 S+ 0 0 161 1,-0.2 -1,-0.1 3,-0.0 4,-0.1 0.482 118.7 61.5 -83.3 -11.2 61.0 63.5 41.5 292 295 A S T 3 S+ 0 0 59 -55,-0.1 -55,-2.6 -56,-0.1 -1,-0.2 0.578 93.4 68.3 -85.1 -29.4 64.4 64.2 43.0 293 296 A V S < S- 0 0 27 -3,-0.6 -57,-0.1 -4,-0.3 -1,-0.1 -0.918 85.8-127.2-101.8 121.8 65.9 60.8 42.1 294 297 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.263 24.0-124.4 -65.0 151.7 66.4 60.1 38.4 295 298 A T > - 0 0 49 1,-0.1 4,-2.9 -4,-0.1 5,-0.3 -0.575 26.3-103.4 -89.2 171.7 65.0 57.0 37.1 296 299 A L H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 124.8 53.0 -60.8 -39.2 66.9 54.3 35.3 297 300 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 110.1 47.2 -66.0 -35.4 65.4 55.6 32.1 298 301 A Q H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.955 111.1 49.7 -69.6 -47.2 66.5 59.1 32.8 299 302 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.914 111.4 51.4 -55.6 -40.4 70.1 58.1 33.8 300 303 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.922 111.0 46.8 -64.4 -41.8 70.3 56.1 30.6 301 304 A D H X S+ 0 0 67 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.914 113.4 46.9 -66.8 -47.9 69.1 59.0 28.4 302 305 A K H X S+ 0 0 18 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.938 112.2 51.6 -61.7 -42.6 71.5 61.5 30.0 303 306 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.916 110.7 48.0 -61.7 -44.2 74.4 59.0 29.7 304 307 A I H X S+ 0 0 7 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.903 109.3 53.9 -63.4 -37.6 73.6 58.5 26.0 305 308 A E H < S+ 0 0 83 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.980 116.1 37.9 -59.8 -52.9 73.4 62.3 25.4 306 309 A L H >< S+ 0 0 7 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.926 116.4 48.2 -64.3 -51.5 76.9 62.9 27.0 307 310 A L H >< S+ 0 0 1 -4,-2.8 3,-1.2 1,-0.3 -168,-0.2 0.762 102.2 71.5 -60.9 -29.2 78.7 59.8 25.7 308 311 A S T 3< S+ 0 0 34 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.709 79.5 69.9 -55.5 -36.0 77.3 60.7 22.3 309 312 A K T < S+ 0 0 139 -3,-1.5 2,-0.5 -4,-0.5 -1,-0.2 0.746 76.6 99.5 -60.3 -21.0 79.5 63.7 21.8 310 313 A N < - 0 0 48 -3,-1.2 3,-0.5 -4,-0.3 -171,-0.1 -0.533 63.3-154.9 -74.0 119.0 82.5 61.4 21.4 311 314 A E S S+ 0 0 156 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.804 89.9 56.9 -62.3 -35.2 83.2 61.0 17.7 312 315 A K S S- 0 0 146 -175,-0.3 2,-0.2 1,-0.3 -1,-0.2 0.817 112.4-112.3 -66.9 -37.9 85.0 57.6 18.2 313 316 A G - 0 0 0 -3,-0.5 -174,-2.6 -6,-0.2 2,-0.3 -0.780 28.9-104.6 132.3-175.3 82.0 56.0 19.8 314 317 A F E -ae 41 139A 2 -274,-0.6 -272,-2.1 -176,-0.3 2,-0.4 -0.976 2.6-144.1-152.0 161.7 81.1 54.7 23.2 315 318 A F E -ae 42 140A 0 -176,-1.9 -174,-2.0 -2,-0.3 2,-0.4 -0.997 25.7-179.7-124.7 131.7 80.5 51.7 25.4 316 319 A L E -ae 43 141A 0 -274,-2.4 -272,-2.9 -2,-0.4 2,-0.5 -0.998 13.5-163.6-137.4 130.5 77.7 51.9 28.0 317 320 A Q E -ae 44 142A 0 -176,-1.6 -174,-2.9 -2,-0.4 2,-0.4 -0.974 9.4-172.4-111.9 131.0 76.6 49.4 30.5 318 321 A V E -ae 45 143A 0 -274,-3.2 -272,-2.9 -2,-0.5 2,-0.5 -0.981 4.8-161.9-122.9 129.6 73.2 49.9 32.2 319 322 A E E -ae 46 144A 0 -176,-2.3 2,-1.6 -2,-0.4 -174,-1.3 -0.935 20.8-158.4-121.2 125.5 72.0 47.7 35.1 320 323 A G E +a 47 0A 0 -274,-2.8 -272,-2.0 -2,-0.5 3,-0.5 -0.749 33.6 175.7 -88.1 87.8 68.4 47.2 36.4 321 324 A A > + 0 0 0 -2,-1.6 4,-0.8 1,-0.2 3,-0.5 0.785 55.5 59.7 -72.0 -35.1 69.9 46.0 39.7 322 325 A S H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.562 79.3 84.3 -80.9 -1.3 67.0 45.4 42.1 323 326 A I H > S+ 0 0 0 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.971 100.3 40.9 -58.8 -48.9 65.2 42.8 40.1 324 327 A D H > S+ 0 0 8 -276,-0.7 4,-2.5 -3,-0.5 -1,-0.2 0.928 114.1 51.8 -64.2 -49.3 67.7 40.3 41.7 325 328 A K H X S+ 0 0 48 -4,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.885 112.7 44.1 -58.6 -39.8 67.6 41.9 45.2 326 329 A Q H <>S+ 0 0 39 -4,-3.0 5,-2.4 2,-0.2 -1,-0.2 0.815 110.2 56.8 -75.3 -28.4 63.8 41.8 45.4 327 330 A D H ><5S+ 0 0 0 -4,-1.7 3,-1.6 -5,-0.3 -2,-0.2 0.928 107.4 48.1 -66.1 -43.4 63.8 38.3 44.0 328 331 A H H 3<5S+ 0 0 34 -4,-2.5 79,-2.8 1,-0.3 -1,-0.2 0.875 110.7 52.8 -62.8 -39.3 66.1 37.3 47.0 329 332 A A T 3<5S- 0 0 37 -4,-1.5 -1,-0.3 -5,-0.2 -59,-0.2 0.402 109.8-125.6 -75.1 -0.3 63.7 39.1 49.3 330 333 A A T < 5 + 0 0 0 -3,-1.6 -60,-3.3 1,-0.2 -3,-0.2 0.917 61.9 143.8 54.4 44.8 60.7 37.1 47.9 331 334 A N >< - 0 0 26 -5,-2.4 4,-2.5 -62,-0.2 3,-0.3 -0.832 32.4-171.2-119.7 94.7 58.9 40.4 47.1 332 335 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.881 84.6 49.7 -51.4 -45.9 56.9 40.1 43.8 333 336 A b H > S+ 0 0 0 -65,-0.4 4,-2.5 2,-0.2 5,-0.2 0.893 112.1 46.4 -65.7 -39.7 56.0 43.8 43.5 334 337 A G H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -70,-0.3 0.955 116.0 47.5 -66.0 -45.2 59.6 45.0 44.1 335 338 A Q H X S+ 0 0 0 -4,-2.5 4,-1.2 -9,-0.2 -2,-0.2 0.950 116.4 41.2 -59.5 -53.2 60.9 42.4 41.6 336 339 A I H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 3,-0.4 0.893 111.5 55.3 -65.5 -45.5 58.3 43.2 38.8 337 340 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.885 107.9 50.6 -56.4 -37.2 58.4 46.9 39.3 338 341 A E H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.788 108.2 52.4 -71.0 -27.8 62.2 46.8 38.7 339 342 A T H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.893 110.0 47.8 -72.9 -36.6 61.7 44.8 35.6 340 343 A V H X S+ 0 0 19 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.909 109.9 53.9 -65.9 -42.5 59.2 47.4 34.3 341 344 A D H >X S+ 0 0 10 -4,-2.1 4,-1.5 1,-0.2 3,-0.6 0.949 108.0 49.2 -57.2 -49.6 61.8 50.1 35.2 342 345 A L H 3X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.3 5,-0.2 0.902 104.6 59.8 -59.6 -42.5 64.5 48.3 33.1 343 346 A D H 3X S+ 0 0 7 -4,-2.0 4,-2.2 1,-0.3 -1,-0.3 0.852 102.4 52.4 -54.3 -39.7 62.1 48.0 30.1 344 347 A E H - 0 0 16 481,-0.4 3,-1.9 -2,-0.3 -1,-0.1 -0.139 47.0-116.3 -53.4 144.4 48.8 27.4 39.5 376 379 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.788 112.9 49.5 -54.8 -32.8 46.6 29.6 41.7 377 380 A D T 3 S+ 0 0 128 2,-0.1 2,-0.1 19,-0.1 -2,-0.1 0.065 79.8 143.0 -95.6 21.7 45.7 26.7 44.0 378 381 A T < - 0 0 0 -3,-1.9 2,-0.7 -4,-0.1 -103,-0.2 -0.434 40.0-155.7 -68.5 133.7 49.2 25.6 44.6 379 382 A K - 0 0 78 -2,-0.1 471,-3.2 469,-0.1 472,-0.4 -0.916 29.4-179.9-110.4 99.0 50.0 24.4 48.1 380 383 A A - 0 0 0 -2,-0.7 -107,-0.5 469,-0.3 468,-0.1 -0.786 40.3-132.9-109.4 153.6 53.7 25.0 48.3 381 384 A P S S+ 0 0 23 0, 0.0 467,-0.1 0, 0.0 -1,-0.1 0.716 89.7 46.6 -74.7 -19.0 56.5 24.5 50.9 382 385 A G S S- 0 0 7 465,-0.6 -109,-0.6 1,-0.1 2,-0.4 0.255 105.2 -50.2 -99.2-143.4 58.0 27.9 50.4 383 386 A L E +QT 272 399H 39 16,-2.2 16,-2.9 -111,-0.2 2,-0.3 -0.853 56.3 172.1 -99.7 133.0 56.8 31.5 50.1 384 387 A T E -QT 271 398H 0 -113,-2.7 -113,-2.5 -2,-0.4 2,-0.3 -0.889 11.6-174.5-135.4 165.8 53.9 32.4 47.7 385 388 A Q E - T 0 397H 12 12,-1.4 12,-2.6 -2,-0.3 2,-0.4 -0.959 19.8-133.5-161.5 142.7 51.7 35.4 46.8 386 389 A A E - T 0 396H 7 -112,-0.4 -105,-2.8 -107,-0.3 2,-0.4 -0.871 24.9-162.8-103.2 134.8 48.7 36.0 44.5 387 390 A L E -rT 281 395H 0 8,-2.8 8,-2.3 -2,-0.4 2,-0.8 -0.933 20.6-129.1-122.2 145.5 48.8 39.1 42.3 388 391 A N E - T 0 394H 67 -107,-2.7 -105,-0.3 -2,-0.4 6,-0.2 -0.844 36.9-155.8 -90.5 112.9 46.1 41.0 40.5 389 392 A T > - 0 0 10 4,-2.5 3,-2.5 -2,-0.8 -328,-0.2 -0.312 31.8-101.3 -87.4 172.8 47.3 41.4 36.9 390 393 A K T 3 S+ 0 0 133 -329,-2.1 -329,-0.1 -330,-0.5 -328,-0.1 0.713 121.0 63.7 -63.0 -19.5 46.6 43.8 34.2 391 394 A D T 3 S- 0 0 36 -331,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.460 115.5-114.9 -82.2 -6.5 44.4 41.1 32.7 392 395 A G S < S+ 0 0 52 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.817 82.6 109.0 79.6 21.6 42.1 41.2 35.7 393 396 A A S S- 0 0 18 -4,-0.1 -4,-2.5 -6,-0.0 2,-0.4 -0.809 72.4-102.9-122.1 170.9 43.1 37.6 36.6 394 397 A V E - T 0 388H 57 -2,-0.3 2,-0.4 -6,-0.2 148,-0.4 -0.776 28.3-169.8 -99.8 138.7 45.2 36.3 39.5 395 398 A M E - 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0 0 39 -4,-1.1 -56,-0.1 -3,-0.4 -3,-0.1 0.901 8.7-173.5 44.4 60.2 43.9 7.1 10.9 644 200 B A - 0 0 2 -5,-0.4 3,-0.1 1,-0.1 -56,-0.1 -0.484 32.5-120.3 -69.9 159.3 47.3 8.7 10.9 645 201 B D S S+ 0 0 9 -58,-1.0 54,-3.2 1,-0.2 2,-0.4 0.899 96.7 27.2 -72.9 -38.6 49.7 6.5 8.8 646 202 B V E +ab 588 699J 0 -59,-1.8 -57,-2.3 52,-0.2 2,-0.4 -0.985 63.7 168.4-128.1 120.0 52.1 5.9 11.7 647 203 B T E +ab 589 700J 4 52,-1.6 54,-2.8 -2,-0.4 2,-0.4 -0.988 11.1 169.9-129.9 120.5 51.1 5.9 15.4 648 204 B L E +ab 590 701J 0 -59,-2.0 -57,-2.3 -2,-0.4 2,-0.3 -0.996 24.6 82.7-135.6 134.2 53.7 4.6 17.9 649 205 B G E - b 0 702J 0 52,-2.1 54,-2.8 -2,-0.4 55,-0.3 -0.946 67.9 -65.6 170.0-157.8 53.7 4.8 21.7 650 206 B G E S+a 594 0J 0 -57,-2.8 -55,-2.2 -2,-0.3 57,-0.2 -0.278 71.3 99.0-105.2-160.2 52.4 3.1 24.8 651 207 B G > + 0 0 0 55,-1.6 4,-0.6 53,-0.7 3,-0.3 0.795 29.3 147.0 90.4 29.3 48.8 2.8 26.2 652 208 B A T >4 + 0 0 28 52,-2.5 3,-1.4 54,-0.2 4,-0.3 0.887 62.0 76.8 -64.4 -32.4 47.8 -0.7 25.1 653 209 B K G >4 S+ 0 0 150 52,-1.5 3,-2.2 1,-0.3 4,-0.2 0.875 91.5 48.0 -43.5 -59.2 45.7 -1.0 28.3 654 210 B T G >4 S+ 0 0 11 51,-0.4 3,-2.2 1,-0.3 15,-0.3 0.777 97.6 71.1 -57.9 -28.2 42.8 1.2 27.1 655 211 B F G << S+ 0 0 2 -3,-1.4 15,-2.4 -4,-0.6 -1,-0.3 0.496 85.6 70.5 -68.5 -4.4 42.6 -0.7 23.8 656 212 B A G < S+ 0 0 72 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.549 78.9 100.4 -83.6 -14.8 41.2 -3.6 25.9 657 213 B E S < S- 0 0 50 -3,-2.2 12,-2.4 -4,-0.2 2,-0.4 -0.284 72.2-126.8 -67.8 161.4 38.0 -1.7 26.4 658 214 B T B -I 668 0N 71 10,-0.3 10,-0.3 11,-0.1 2,-0.1 -0.921 23.0-105.1-114.0 140.8 35.0 -2.5 24.4 659 215 B A - 0 0 4 8,-2.3 7,-2.8 5,-0.5 8,-0.1 -0.369 17.2-153.0 -64.7 135.1 32.9 -0.1 22.3 660 216 B T S S- 0 0 51 5,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.525 74.9 -3.3 -83.3 -10.1 29.6 0.8 23.8 661 217 B A S S+ 0 0 19 -32,-0.0 3,-0.3 3,-0.0 -33,-0.1 -0.929 90.2 60.2-162.9-174.8 28.1 1.5 20.4 662 218 B G S > S- 0 0 49 -2,-0.3 3,-2.7 1,-0.2 -34,-0.0 0.035 99.0 -38.5 74.8-178.4 28.6 1.8 16.7 663 219 B E T 3 S+ 0 0 165 1,-0.3 -1,-0.2 3,-0.0 -4,-0.0 0.780 140.3 43.9 -47.7 -38.3 29.8 -0.7 14.1 664 220 B W T > S+ 0 0 59 -3,-0.3 3,-2.7 3,-0.1 -5,-0.5 0.180 77.1 151.1-102.5 22.7 32.2 -2.2 16.5 665 221 B Q T < S+ 0 0 121 -3,-2.7 -5,-0.2 1,-0.3 3,-0.1 -0.123 73.1 18.0 -50.1 138.2 30.0 -2.3 19.6 666 222 B G T 3 S+ 0 0 49 -7,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.321 101.3 108.0 81.3 -18.6 31.1 -5.2 21.8 667 223 B K S < S- 0 0 102 -3,-2.7 -8,-2.3 -8,-0.1 -1,-0.3 -0.702 76.0-114.8 -87.7 150.0 34.5 -5.5 20.1 668 224 B T B > -I 658 0N 30 -2,-0.3 4,-2.6 -10,-0.3 -10,-0.3 -0.491 29.9-108.6 -77.0 161.6 37.5 -4.4 22.1 669 225 B L H > S+ 0 0 0 -12,-2.4 4,-2.1 -15,-0.3 -13,-0.2 0.822 122.0 57.6 -60.0 -33.0 39.3 -1.4 20.6 670 226 B R H > S+ 0 0 105 -15,-2.4 4,-2.4 -13,-0.3 5,-0.2 0.976 107.6 46.8 -61.7 -50.2 42.2 -3.7 19.7 671 227 B E H > S+ 0 0 80 -16,-0.3 4,-3.6 1,-0.2 -2,-0.2 0.925 110.1 52.7 -55.6 -51.2 39.8 -5.9 17.6 672 228 B Q H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.888 108.4 51.8 -52.3 -40.3 38.3 -2.8 16.0 673 229 B A H X>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 4,-0.7 0.964 112.1 43.9 -64.0 -50.2 41.8 -1.7 15.0 674 230 B Q H ><5S+ 0 0 99 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.975 115.9 50.5 -57.0 -47.0 42.6 -5.1 13.4 675 231 B A H 3<5S+ 0 0 68 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.857 106.8 52.6 -58.6 -40.9 39.2 -5.0 11.8 676 232 B R H 3<5S- 0 0 54 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.538 126.3 -98.8 -77.7 -3.4 39.6 -1.5 10.4 677 233 B G T <<5 + 0 0 33 -3,-1.7 -3,-0.2 -4,-0.7 -2,-0.1 0.536 68.1 152.3 102.6 8.1 42.9 -2.6 8.8 678 234 B Y < - 0 0 15 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.391 43.3-131.1 -72.2 148.9 45.6 -1.4 11.2 679 235 B Q E -c 699 0J 49 19,-3.0 21,-3.1 -2,-0.1 2,-0.5 -0.907 27.0-155.3 -96.9 119.7 49.0 -3.2 11.4 680 236 B L E +c 700 0J 37 -2,-0.6 2,-0.3 19,-0.2 21,-0.2 -0.882 17.2 174.7-102.8 128.0 49.6 -3.8 15.0 681 237 B V E +c 701 0J 12 19,-1.7 21,-2.1 -2,-0.5 3,-0.1 -0.964 12.2 179.8-127.5 148.9 53.1 -4.2 16.3 682 238 B S + 0 0 68 -2,-0.3 2,-0.3 19,-0.2 19,-0.1 0.324 61.0 37.5-135.8 8.9 54.2 -4.5 19.9 683 239 B D S > S- 0 0 60 1,-0.1 4,-2.1 57,-0.1 57,-0.2 -0.952 84.5 -97.6-150.9 172.4 57.9 -4.9 20.0 684 240 B A H > S+ 0 0 7 55,-2.8 4,-3.0 -2,-0.3 5,-0.2 0.909 115.5 52.0 -61.9 -44.9 61.1 -3.7 18.3 685 241 B A H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.955 112.4 44.6 -62.9 -46.8 61.5 -6.6 15.9 686 242 B S H > S+ 0 0 37 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.886 111.7 54.6 -65.4 -32.7 58.0 -6.5 14.6 687 243 B L H >< S+ 0 0 1 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.934 108.1 49.9 -63.7 -41.1 58.4 -2.8 14.3 688 244 B N H 3< S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 102.6 61.5 -66.7 -29.1 61.5 -3.3 12.2 689 245 B S H 3< S+ 0 0 85 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.690 78.5 105.4 -71.3 -19.1 59.7 -5.7 10.0 690 246 B V << + 0 0 8 -3,-1.2 3,-0.1 -4,-0.7 63,-0.0 -0.448 37.6 167.3 -66.4 133.2 57.2 -3.1 8.9 691 247 B T + 0 0 109 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.573 61.3 36.6-119.7 -18.9 58.0 -2.0 5.4 692 248 B E + 0 0 83 5,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.983 54.3 177.2-139.5 143.1 55.0 -0.0 4.4 693 249 B A + 0 0 13 -2,-0.3 2,-0.3 60,-0.2 -48,-0.1 -0.912 28.1 122.2-149.4 117.4 52.6 2.3 6.3 694 250 B N S S- 0 0 36 3,-1.0 -2,-0.0 -2,-0.3 60,-0.0 -0.929 73.0 -66.4-160.1-173.6 49.8 4.1 4.7 695 251 B Q S S+ 0 0 62 -2,-0.3 -1,-0.0 1,-0.2 -51,-0.0 0.770 131.5 42.8 -59.0 -28.1 46.1 4.7 4.6 696 252 B Q S S+ 0 0 137 1,-0.2 -1,-0.2 -18,-0.0 -51,-0.0 0.836 131.3 24.3 -86.3 -35.9 45.4 1.2 3.5 697 253 B K S S- 0 0 77 -19,-0.0 -3,-1.0 -18,-0.0 -1,-0.2 -0.558 81.9-178.7-127.0 65.7 47.8 -0.3 6.0 698 254 B P - 0 0 0 0, 0.0 -19,-3.0 0, 0.0 2,-0.4 -0.364 24.0-126.9 -66.3 147.7 48.2 2.2 8.8 699 255 B L E -bc 646 679J 0 -54,-3.2 -52,-1.6 -21,-0.2 2,-0.4 -0.816 24.9-177.8 -99.7 134.1 50.6 1.2 11.5 700 256 B L E -bc 647 680J 0 -21,-3.1 -19,-1.7 -2,-0.4 2,-0.6 -0.943 6.2-170.4-133.1 108.9 49.7 1.2 15.2 701 257 B G E -bc 648 681J 0 -54,-2.8 -52,-2.1 -2,-0.4 2,-0.6 -0.910 5.4-176.6-105.2 117.7 52.6 0.3 17.6 702 258 B L E +b 649 0J 10 -21,-2.1 -52,-0.2 -2,-0.6 -51,-0.1 -0.913 9.7 167.6-112.8 106.8 51.6 -0.3 21.2 703 259 B F + 0 0 16 -54,-2.8 2,-0.3 -2,-0.6 -53,-0.2 0.386 61.3 21.6-104.4 5.3 54.8 -1.0 23.2 704 260 B A - 0 0 24 -55,-0.3 -52,-2.5 2,-0.1 -53,-0.7 -0.972 68.2-122.9-163.9 152.8 53.6 -0.8 26.8 705 261 B D S S- 0 0 119 -2,-0.3 -52,-1.5 -54,-0.2 -51,-0.4 0.927 103.1 -3.1 -65.5 -44.5 50.4 -1.0 28.7 706 262 B G S S- 0 0 23 1,-0.4 -55,-1.6 -55,-0.2 -54,-0.2 0.184 126.7 -12.4-112.4-126.2 50.9 2.4 30.1 707 263 B N S S- 0 0 61 -57,-0.2 -1,-0.4 1,-0.1 -114,-0.2 -0.514 78.5-102.3 -79.6 145.3 53.9 4.7 29.6 708 264 B M - 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