==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-13 4KM4 . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.D.ANDREWS,T.D.FENN,D.HERSCHLAG . 890 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 587 66.0 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 8.7 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 . 45 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 22.8 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 3 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 . 10 5 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 0 0 0 0 0 0 0 0 0 0 1 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 62 0, 0.0 2,-0.2 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 83.4 34.2 -19.9 20.1 2 5 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 418,-0.2 -0.581 360.0-125.1 -89.6 168.6 36.4 -20.7 23.2 3 6 A V - 0 0 12 -2,-0.2 2,-1.1 72,-0.1 72,-0.2 -0.653 45.3 -89.0 -93.0 169.2 39.4 -23.1 23.4 4 7 A L - 0 0 17 70,-2.7 3,-0.2 -2,-0.2 69,-0.0 -0.737 43.7-164.1 -78.4 100.5 39.2 -25.9 26.1 5 8 A E S S- 0 0 133 -2,-1.1 2,-0.2 1,-0.3 -1,-0.2 0.771 71.2 -2.2 -63.2 -30.2 40.8 -23.7 28.9 6 9 A N + 0 0 80 15,-0.1 -1,-0.3 -3,-0.1 64,-0.0 -0.845 53.8 163.6-162.5 130.7 41.5 -26.9 31.0 7 10 A R + 0 0 4 -2,-0.2 2,-0.1 -3,-0.2 62,-0.1 -0.081 41.7 123.4-136.4 32.3 40.7 -30.6 30.4 8 11 A A S S- 0 0 22 1,-0.2 59,-0.2 60,-0.1 60,-0.1 -0.392 81.8 -71.7 -71.8 166.8 43.1 -32.2 33.0 9 12 A A - 0 0 23 57,-2.4 12,-0.2 1,-0.1 10,-0.2 -0.412 46.5-137.4 -56.2 135.9 41.7 -34.6 35.6 10 13 A Q - 0 0 82 10,-1.7 2,-0.2 7,-0.3 9,-0.2 0.451 65.5 -32.2 -88.9 -5.0 39.7 -32.3 38.0 11 14 A G S S+ 0 0 48 7,-1.8 2,-0.5 9,-0.1 -2,-0.1 -0.798 108.2 4.5-171.3-144.1 40.9 -33.8 41.4 12 15 A D > - 0 0 92 -2,-0.2 3,-1.0 1,-0.1 6,-0.5 -0.552 51.2-153.9 -64.3 115.9 41.9 -37.1 43.1 13 16 A I T 3 S+ 0 0 27 -2,-0.5 544,-0.5 1,-0.2 6,-0.2 0.591 93.9 57.9 -72.2 -8.3 42.0 -39.8 40.3 14 17 A T T 3 S+ 0 0 23 4,-0.1 553,-0.3 542,-0.1 -1,-0.2 0.637 97.9 72.4 -90.9 -20.5 41.4 -42.5 43.1 15 18 A A S X S- 0 0 36 -3,-1.0 3,-1.5 1,-0.1 542,-0.4 -0.495 102.3 -76.0 -92.0 163.7 38.0 -40.9 44.3 16 19 A P T 3 S- 0 0 70 0, 0.0 540,-0.2 0, 0.0 -1,-0.1 -0.409 115.5 -2.2 -56.8 124.0 34.6 -40.8 42.5 17 20 A G T > S+ 0 0 16 538,-2.3 3,-0.9 -2,-0.2 -7,-0.3 0.416 96.2 114.4 76.5 2.9 34.7 -38.2 39.7 18 21 A G T < S+ 0 0 8 -3,-1.5 -7,-1.8 -6,-0.5 -5,-0.2 0.548 73.9 56.2 -89.0 -2.2 38.3 -37.0 40.3 19 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.2 536,-0.3 861,-0.2 0.361 82.4 123.9 -95.6 -1.5 39.5 -38.4 36.9 20 23 A R < - 0 0 63 -3,-0.9 -10,-1.7 859,-0.2 -9,-0.1 -0.367 44.7-168.5 -60.0 143.2 36.9 -36.3 35.1 21 24 A R S S+ 0 0 2 -12,-0.2 2,-0.4 856,-0.1 -1,-0.1 0.572 70.6 74.5 -99.6 -20.0 38.1 -33.9 32.4 22 25 A L - 0 0 10 1,-0.1 -12,-0.1 855,-0.1 3,-0.1 -0.849 53.4-171.6-101.5 135.4 34.6 -32.2 32.1 23 26 A T S S- 0 0 110 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.828 73.1 -22.5 -86.4 -36.2 33.2 -29.8 34.7 24 27 A G S S- 0 0 35 1,-0.1 -1,-0.2 847,-0.0 860,-0.0 -0.898 95.9 -34.6-161.1-177.2 29.7 -29.7 33.1 25 28 A D - 0 0 70 -2,-0.2 4,-0.3 1,-0.1 3,-0.1 -0.151 41.5-157.6 -51.6 138.7 27.5 -30.2 30.0 26 29 A Q > + 0 0 27 842,-0.2 4,-2.1 1,-0.1 5,-0.2 0.521 68.0 94.7-100.5 -9.3 29.3 -29.2 26.7 27 30 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.878 88.0 47.3 -52.1 -48.7 26.3 -28.6 24.4 28 31 A A H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.962 114.0 45.8 -60.2 -51.9 26.3 -24.8 25.1 29 32 A A H 4 S+ 0 0 34 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.739 112.0 52.6 -64.5 -29.3 30.1 -24.4 24.6 30 33 A L H >X S+ 0 0 3 -4,-2.1 3,-1.2 2,-0.2 4,-0.8 0.924 105.5 53.0 -74.0 -41.8 30.0 -26.5 21.4 31 34 A R H >< S+ 0 0 97 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.906 108.9 51.1 -55.8 -41.8 27.1 -24.4 19.8 32 35 A D T 3< S+ 0 0 106 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.611 105.0 57.8 -73.0 -15.2 29.3 -21.3 20.5 33 36 A S T <4 S+ 0 0 5 -3,-1.2 2,-1.0 -4,-0.3 387,-0.3 0.621 86.8 90.3 -83.3 -18.3 32.3 -23.1 18.7 34 37 A L << + 0 0 8 -3,-1.1 2,-0.4 -4,-0.8 -1,-0.1 -0.713 49.7 154.8 -92.0 95.8 30.2 -23.6 15.4 35 38 A S - 0 0 21 -2,-1.0 387,-2.5 385,-0.4 388,-0.3 -0.974 27.9-171.2-120.2 139.8 30.8 -20.6 13.1 36 39 A D + 0 0 82 -2,-0.4 3,-0.1 385,-0.2 -1,-0.1 0.224 50.9 119.5-106.9 -1.3 30.4 -20.6 9.2 37 40 A K S S- 0 0 75 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.142 76.0 -74.6 -58.3 166.5 31.9 -17.1 8.7 38 41 A P - 0 0 99 0, 0.0 2,-0.6 0, 0.0 405,-0.2 -0.275 35.5-129.5 -61.6 149.3 35.0 -16.7 6.6 39 42 A A - 0 0 5 403,-2.5 320,-0.2 1,-0.1 3,-0.1 -0.916 15.5-168.2 -89.3 122.4 38.5 -17.7 7.8 40 43 A K S S+ 0 0 68 318,-2.3 274,-0.7 -2,-0.6 2,-0.3 0.808 76.7 13.2 -72.3 -34.9 40.8 -14.7 7.2 41 44 A N E -ab 314 359A 2 317,-1.2 319,-2.0 272,-0.2 2,-0.4 -0.959 64.6-151.0-139.8 160.7 43.7 -17.0 8.0 42 45 A I E -ab 315 360A 0 272,-1.6 274,-2.3 -2,-0.3 2,-0.5 -0.999 4.1-169.5-133.2 131.7 44.5 -20.7 8.4 43 46 A I E -ab 316 361A 0 317,-2.3 319,-2.2 -2,-0.4 2,-0.5 -0.994 8.9-171.0-117.1 121.0 47.3 -22.2 10.6 44 47 A L E -ab 317 362A 0 272,-2.4 274,-2.4 -2,-0.5 2,-0.5 -0.981 2.0-167.5-115.8 110.8 47.8 -25.9 9.9 45 48 A L E -ab 318 363A 0 317,-2.7 319,-1.6 -2,-0.5 2,-0.4 -0.916 7.0-165.8 -99.1 126.8 50.1 -27.7 12.5 46 49 A I E -ab 319 364A 0 272,-2.6 274,-2.3 -2,-0.5 2,-0.7 -0.981 12.1-158.6-116.1 128.1 51.2 -31.2 11.3 47 50 A G E > -ab 320 365A 0 317,-2.3 3,-1.6 -2,-0.4 319,-0.5 -0.948 25.7-133.3-101.5 107.1 52.8 -33.7 13.7 48 51 A D T 3 S- 0 0 4 272,-2.0 276,-1.3 -2,-0.7 277,-0.1 -0.552 90.3 -2.5 -66.0 124.8 54.6 -36.1 11.3 49 52 A G T 3 S+ 0 0 0 -2,-0.3 2,-2.0 318,-0.2 320,-0.4 0.463 94.0 143.0 71.6 1.8 53.7 -39.6 12.6 50 53 A M < + 0 0 4 -3,-1.6 -3,-0.2 270,-0.2 -1,-0.2 -0.443 20.1 155.7 -83.7 71.7 51.7 -38.0 15.5 51 54 A G > - 0 0 2 -2,-2.0 4,-2.3 363,-0.1 5,-0.2 -0.148 63.1 -81.4 -79.3-177.7 48.8 -40.5 15.8 52 55 A D H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 807,-0.6 0.806 129.3 54.9 -60.5 -32.0 46.7 -41.1 18.9 53 56 A S H > S+ 0 0 16 2,-0.2 4,-2.5 805,-0.2 -1,-0.2 0.937 110.8 44.9 -64.5 -46.6 49.3 -43.5 20.4 54 57 A E H > S+ 0 0 3 -5,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.848 112.6 51.8 -68.1 -38.9 52.1 -40.8 20.1 55 58 A I H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.920 113.3 44.9 -60.3 -49.6 49.8 -38.1 21.5 56 59 A T H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.899 110.5 53.7 -67.0 -41.5 48.9 -40.3 24.5 57 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.932 112.4 43.7 -57.6 -51.1 52.6 -41.3 25.1 58 61 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.5 0.865 113.5 50.5 -66.7 -36.0 53.8 -37.7 25.3 59 62 A R H X>S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-1.2 0.969 112.4 48.0 -62.5 -49.8 50.8 -36.6 27.5 60 63 A N H <5S+ 0 0 3 -4,-2.7 330,-0.6 3,-0.2 331,-0.5 0.879 119.3 39.1 -55.8 -46.0 51.5 -39.5 29.9 61 64 A Y H <5S+ 0 0 20 -4,-2.3 329,-1.5 328,-0.2 -2,-0.2 0.970 127.3 27.7 -69.8 -58.7 55.3 -38.7 30.1 62 65 A A H <5S+ 0 0 30 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.733 139.0 18.2 -83.7 -31.0 55.4 -34.9 30.1 63 66 A E T <5S- 0 0 55 -4,-2.4 -3,-0.2 -5,-0.5 -1,-0.1 0.474 108.5-108.8-119.4 -8.1 52.0 -33.9 31.7 64 67 A G > < - 0 0 1 -5,-1.2 3,-1.9 -4,-0.4 -3,-0.2 0.021 40.2 -75.5 87.6 159.4 51.0 -37.2 33.5 65 68 A A T 3 S+ 0 0 0 -5,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.909 137.7 42.0 -55.7 -44.4 48.1 -39.6 32.4 66 69 A G T 3 S+ 0 0 13 -6,-0.1 -57,-2.4 -3,-0.1 -1,-0.3 0.332 100.1 110.4 -79.7 3.0 45.5 -37.2 33.8 67 70 A G < - 0 0 10 -3,-1.9 2,-0.3 -59,-0.2 -3,-0.1 0.093 56.3-142.9 -73.5-174.8 47.4 -34.2 32.3 68 71 A F - 0 0 12 -9,-0.1 2,-0.5 -5,-0.1 -60,-0.1 -0.929 12.9-126.5-162.6 125.4 46.5 -32.0 29.4 69 72 A F > - 0 0 2 -2,-0.3 4,-0.9 1,-0.1 5,-0.2 -0.699 16.0-147.7 -76.9 124.2 48.4 -30.3 26.5 70 73 A K T 4 S+ 0 0 110 -2,-0.5 -1,-0.1 3,-0.1 -66,-0.0 0.662 97.2 22.9 -74.2 -14.0 47.5 -26.5 26.6 71 74 A G T >> S+ 0 0 0 3,-0.1 3,-1.7 279,-0.0 4,-0.5 0.761 126.2 42.5-102.6 -76.0 47.9 -26.5 22.7 72 75 A I T 34 S+ 0 0 0 1,-0.3 3,-0.4 2,-0.2 -2,-0.1 0.797 124.2 35.8 -45.4 -47.3 47.4 -30.1 21.3 73 76 A D T 3< S+ 0 0 0 -4,-0.9 802,-0.4 1,-0.2 -1,-0.3 0.469 100.9 78.0 -90.9 -3.6 44.3 -31.0 23.6 74 77 A A T <4 + 0 0 0 -3,-1.7 -70,-2.7 -5,-0.2 -1,-0.2 0.590 63.4 102.6 -85.4 -15.2 42.7 -27.5 23.6 75 78 A L < - 0 0 0 -4,-0.5 344,-0.2 -3,-0.4 -72,-0.1 -0.612 60.0-155.8 -73.2 120.7 41.1 -27.6 20.1 76 79 A P S S+ 0 0 2 0, 0.0 2,-0.7 0, 0.0 343,-0.1 0.724 71.0 68.1 -77.5 -28.5 37.3 -28.2 20.7 77 80 A L E +C 418 0A 1 341,-1.8 341,-2.3 796,-0.1 2,-0.3 -0.874 66.7 170.9-103.9 107.4 36.2 -29.8 17.4 78 81 A T E +CD 417 524A 0 -2,-0.7 446,-0.5 446,-0.5 350,-0.5 -0.885 8.2 146.1-119.1 151.4 37.7 -33.3 16.9 79 82 A G E -Ce 416 428A 0 337,-2.2 337,-1.6 -2,-0.3 2,-0.4 -0.797 42.0 -99.0-154.3-163.8 37.3 -36.2 14.5 80 83 A Q E -Ce 415 429A 0 348,-2.0 350,-2.0 335,-0.2 2,-0.3 -0.999 31.3-165.5-130.6 136.8 39.2 -39.0 12.7 81 84 A Y E -Ce 414 430A 0 333,-2.1 333,-1.6 -2,-0.4 2,-0.3 -0.898 16.4-128.2-123.3 153.6 40.5 -38.9 9.2 82 85 A T E - e 0 431A 4 348,-1.6 350,-2.9 -2,-0.3 351,-0.3 -0.787 17.7-177.3 -97.1 143.0 41.9 -41.6 6.7 83 86 A H + 0 0 3 -2,-0.3 14,-0.2 328,-0.2 22,-0.1 -0.076 22.4 153.8-131.2 25.4 45.2 -41.0 5.0 84 87 A Y - 0 0 9 427,-0.1 11,-0.2 12,-0.1 12,-0.1 -0.362 30.2-147.1 -61.6 144.0 45.5 -44.1 2.7 85 88 A A E -T 94 0B 2 9,-2.0 9,-1.8 26,-0.1 2,-0.3 -0.060 15.1-109.1 -90.7-167.2 47.7 -43.7 -0.4 86 89 A L E -Tu 93 113B 1 26,-1.7 28,-0.6 7,-0.3 2,-0.5 -0.964 21.3-115.3-123.2 152.0 47.3 -45.3 -3.9 87 90 A N > - 0 0 51 5,-2.6 4,-2.3 -2,-0.3 5,-0.2 -0.753 25.6-138.8 -81.0 127.7 49.4 -47.9 -5.7 88 91 A K T 4 S+ 0 0 74 -2,-0.5 -1,-0.1 1,-0.2 25,-0.1 0.831 98.0 42.8 -53.3 -39.6 50.9 -46.1 -8.7 89 92 A K T 4 S+ 0 0 176 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.911 125.5 26.3 -78.1 -48.3 50.3 -49.2 -11.0 90 93 A T T 4 S- 0 0 89 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.767 87.9-135.3 -88.2 -33.3 46.8 -50.3 -10.0 91 94 A G < + 0 0 11 -4,-2.3 -3,-0.1 1,-0.3 3,-0.1 0.435 64.9 124.0 82.9 3.0 45.2 -47.0 -8.7 92 95 A K S S- 0 0 102 -5,-0.2 -5,-2.6 1,-0.2 -1,-0.3 -0.378 71.5 -68.0 -89.4 167.1 43.8 -49.0 -5.7 93 96 A P E -T 86 0B 4 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.357 31.0-157.7 -61.6 140.2 44.4 -48.1 -2.0 94 97 A D E -T 85 0B 25 -9,-1.8 -9,-2.0 1,-0.1 747,-0.1 -0.979 15.2-152.2-108.0 115.4 47.8 -48.5 -0.4 95 98 A Y S S+ 0 0 6 -2,-0.5 2,-0.6 745,-0.3 -12,-0.2 0.780 80.2 52.9 -74.5 -22.1 46.7 -48.7 3.3 96 99 A V S S- 0 0 10 724,-0.1 2,-0.2 -12,-0.1 -1,-0.2 -0.960 76.7-163.7-116.4 113.5 50.0 -47.3 4.6 97 100 A T - 0 0 3 -2,-0.6 2,-0.1 -14,-0.2 16,-0.1 -0.565 11.4-137.0 -81.8 157.2 51.0 -44.0 3.1 98 101 A D > - 0 0 36 -2,-0.2 4,-1.7 311,-0.0 5,-0.1 -0.350 38.5 -95.5 -92.4-175.7 54.4 -42.2 3.3 99 102 A G H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.792 120.0 58.4 -76.4 -31.0 54.7 -38.5 4.0 100 103 A A H > S+ 0 0 0 2,-0.2 4,-2.1 3,-0.2 18,-0.3 0.958 111.4 40.2 -65.4 -46.5 54.9 -37.4 0.3 101 104 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.934 117.9 47.4 -68.4 -46.9 51.5 -39.0 -0.6 102 105 A S H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.896 114.9 45.0 -59.5 -47.4 49.8 -37.9 2.7 103 106 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.896 111.3 53.9 -66.7 -38.3 51.0 -34.3 2.5 104 107 A T H X>S+ 0 0 0 -4,-2.1 4,-2.5 12,-0.3 5,-0.6 0.892 103.2 59.9 -58.4 -40.2 50.1 -34.2 -1.3 105 108 A A H X5S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.2 331,-0.3 0.912 114.5 32.0 -58.2 -47.0 46.6 -35.3 -0.3 106 109 A W H <5S+ 0 0 0 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.827 121.1 50.9 -79.8 -31.7 45.9 -32.3 2.0 107 110 A S H <5S+ 0 0 0 -4,-2.5 22,-2.0 -5,-0.2 -2,-0.2 0.807 129.8 16.3 -74.5 -30.9 48.0 -29.8 -0.1 108 111 A T H <5S- 0 0 7 -4,-2.5 -3,-0.2 20,-0.2 -2,-0.2 0.596 92.2-125.7-120.4 -22.8 46.4 -30.7 -3.5 109 112 A G S < -u 86 0B 16 -2,-0.3 3,-1.9 -28,-0.2 -26,-0.2 -0.594 58.7 -81.7 -93.1 151.0 51.3 -42.9 -4.7 114 117 A N T 3 S+ 0 0 58 -28,-0.6 -1,-0.1 1,-0.2 -26,-0.1 -0.302 117.7 24.7 -55.6 128.3 54.0 -43.1 -2.0 115 118 A G T 3 S+ 0 0 10 1,-0.3 48,-1.2 47,-0.1 2,-0.4 0.318 91.3 127.3 96.4 -4.2 57.0 -40.8 -2.9 116 119 A A < - 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0 0 0 -4,-2.0 2,-0.5 -5,-0.1 -1,-0.1 -0.983 49.3-160.4-138.4 144.7 57.2 -28.7 -5.5 159 162 A H + 0 0 7 -2,-0.3 2,-0.3 27,-0.2 -41,-0.2 -0.967 35.5 149.3-123.4 101.1 55.6 -31.1 -8.0 160 163 A V B -V 117 0C 0 -43,-1.9 -43,-2.2 -2,-0.5 -41,-0.3 -0.972 52.7-128.1-138.4 155.4 58.0 -34.1 -8.6 161 164 A T S S+ 0 0 24 -2,-0.3 2,-0.3 1,-0.2 14,-0.1 0.685 99.0 29.7 -80.4 -18.5 57.6 -37.8 -9.4 162 165 A S S > S- 0 0 31 -46,-0.1 3,-1.4 -45,-0.1 -1,-0.2 -0.990 70.6-140.0-141.4 138.5 59.9 -39.0 -6.4 163 166 A S T 3 S+ 0 0 24 -48,-1.2 -47,-0.1 -2,-0.3 25,-0.1 0.677 97.5 73.0 -71.3 -16.6 60.4 -37.2 -3.1 164 167 A K T 3 + 0 0 142 1,-0.2 2,-1.8 -49,-0.1 3,-0.3 0.457 67.4 101.1 -71.7 -4.5 64.2 -38.0 -3.1 165 168 A a < + 0 0 0 -3,-1.4 23,-2.2 1,-0.2 24,-0.2 -0.408 41.1 147.6 -85.4 58.5 64.7 -35.3 -5.9 166 169 A Y + 0 0 58 -2,-1.8 23,-2.3 21,-0.2 24,-0.3 0.951 63.4 0.7 -59.9 -58.6 66.0 -32.7 -3.5 167 170 A G S > S- 0 0 0 -3,-0.3 4,-2.4 21,-0.2 3,-0.4 -0.677 91.9 -76.6-126.6 174.9 68.5 -30.9 -5.8 168 171 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.877 122.3 56.2 -39.1 -55.4 69.7 -31.0 -9.4 169 172 A S H > S+ 0 0 87 1,-0.2 4,-0.7 2,-0.2 5,-0.1 0.870 115.7 35.1 -50.8 -51.6 72.0 -34.0 -8.9 170 173 A A H > S+ 0 0 22 -3,-0.4 4,-2.0 2,-0.2 5,-0.5 0.857 117.5 53.2 -73.2 -36.1 69.2 -36.3 -7.6 171 174 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 8,-0.4 0.935 105.3 53.9 -66.9 -44.4 66.5 -34.8 -9.9 172 175 A S H < S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.743 120.1 34.3 -51.4 -36.1 68.5 -35.3 -13.1 173 176 A E H < S+ 0 0 122 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.595 132.3 22.8-106.4 -19.8 68.9 -39.0 -12.2 174 177 A K H < S+ 0 0 100 -4,-2.0 -3,-0.2 -3,-0.1 -2,-0.2 0.619 132.3 32.6-125.2 -21.3 65.6 -40.0 -10.4 175 178 A a >X + 0 0 0 -4,-1.9 3,-2.2 -5,-0.5 4,-1.4 -0.458 68.2 157.9-127.5 57.8 63.0 -37.5 -11.7 176 179 A P T 34 S+ 0 0 63 0, 0.0 8,-0.2 0, 0.0 6,-0.1 0.773 73.1 58.2 -64.7 -21.8 64.4 -36.9 -15.2 177 180 A G T 34 S+ 0 0 64 1,-0.2 8,-0.2 -3,-0.1 -5,-0.1 0.652 113.0 40.6 -72.2 -19.5 61.0 -35.6 -16.5 178 181 A N T <4 S+ 0 0 18 -3,-2.2 8,-2.3 -7,-0.3 -1,-0.2 0.583 88.5 116.8 -97.8 -21.4 61.2 -32.9 -13.7 179 182 A A ><> - 0 0 1 -4,-1.4 5,-2.2 -8,-0.4 3,-1.1 -0.282 68.4-131.5 -55.0 138.0 65.0 -32.1 -14.2 180 183 A L G > 5S+ 0 0 49 1,-0.3 3,-1.6 3,-0.2 35,-0.1 0.850 104.9 55.4 -65.1 -39.3 65.6 -28.5 -15.4 181 184 A E G 3 5S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.582 105.2 54.5 -74.2 -9.9 68.0 -29.4 -18.2 182 185 A K G < 5S- 0 0 115 -3,-1.1 -1,-0.3 -6,-0.1 -2,-0.2 0.125 129.3 -96.1-103.3 17.2 65.3 -31.8 -19.7 183 186 A G T < 5S+ 0 0 76 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.596 82.4 136.1 81.9 11.0 62.7 -28.9 -19.8 184 187 A G S - 0 0 0 -2,-0.2 4,-2.5 -3,-0.1 -21,-0.2 -0.105 66.4 -96.0 -60.2 171.6 64.3 -30.0 -8.3 188 191 A I H > S+ 0 0 0 -23,-2.2 4,-2.1 1,-0.2 -21,-0.2 0.896 127.8 47.0 -58.9 -44.8 62.3 -29.6 -5.0 189 192 A T H > S+ 0 0 0 -23,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.908 112.6 47.2 -63.3 -49.9 64.7 -26.8 -4.0 190 193 A E H > S+ 0 0 6 -24,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.882 114.6 47.7 -63.2 -39.0 64.6 -25.0 -7.4 191 194 A Q H X S+ 0 0 8 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.888 106.8 57.2 -67.0 -39.2 60.8 -25.2 -7.3 192 195 A L H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 5,-0.4 0.897 107.9 48.0 -56.3 -45.1 60.7 -24.0 -3.7 193 196 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.895 111.8 49.0 -66.0 -38.4 62.5 -20.8 -4.9 194 197 A N H < S+ 0 0 89 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.805 106.7 57.5 -64.4 -33.5 60.0 -20.5 -7.9 195 198 A A H < S- 0 0 14 -4,-2.0 -2,-0.2 -38,-0.2 -1,-0.2 0.861 85.2-170.4 -66.7 -38.5 57.1 -20.9 -5.3 196 199 A R < - 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0 0 0 -4,-1.9 2,-0.5 2,-0.1 -1,-0.1 -0.971 48.5-161.0-134.9 147.5 28.8 -57.2 40.3 605 162 B H + 0 0 5 -2,-0.3 2,-0.3 27,-0.2 -41,-0.2 -0.951 36.9 146.6-126.7 96.1 31.1 -55.6 42.9 606 163 B V B -G 563 0K 0 -43,-2.0 -43,-2.0 -2,-0.5 -41,-0.2 -0.963 53.3-128.4-136.2 154.8 34.1 -58.1 43.4 607 164 B T S S+ 0 0 24 -2,-0.3 2,-0.3 1,-0.2 14,-0.1 0.759 97.5 31.8 -75.7 -28.5 37.8 -57.6 44.2 608 165 B S S > S- 0 0 25 -46,-0.1 3,-1.3 -45,-0.1 -46,-0.2 -0.998 70.3-139.8-133.5 137.1 39.0 -59.9 41.3 609 166 B S T 3 S+ 0 0 25 -48,-1.3 -47,-0.1 -2,-0.3 -9,-0.1 0.594 98.1 73.3 -70.6 -11.0 37.2 -60.4 37.9 610 167 B K T 3 + 0 0 149 -49,-0.2 2,-2.0 1,-0.2 3,-0.3 0.528 66.7 99.6 -75.2 -12.6 38.1 -64.2 38.1 611 168 B c < + 0 0 0 -3,-1.3 23,-2.2 1,-0.2 24,-0.2 -0.408 42.6 148.6 -82.7 59.9 35.3 -64.7 40.8 612 169 B Y - 0 0 55 -2,-2.0 23,-2.3 21,-0.2 24,-0.2 0.933 64.0 -0.8 -60.6 -59.9 32.7 -66.1 38.3 613 170 B G S >> S- 0 0 0 -3,-0.3 4,-2.3 21,-0.2 3,-1.0 -0.650 91.6 -79.8-123.6 179.3 30.8 -68.5 40.5 614 171 B P H 3> S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.909 123.8 61.3 -49.4 -45.9 30.9 -69.7 44.2 615 172 B S H 34 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 -4,-0.0 0.787 114.5 33.1 -52.8 -41.6 33.8 -72.1 43.5 616 173 B A H <> S+ 0 0 16 -3,-1.0 4,-2.4 2,-0.1 5,-0.5 0.823 114.8 57.8 -84.4 -35.4 36.1 -69.2 42.4 617 174 B T H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 8,-0.4 0.935 103.9 50.7 -66.2 -46.4 34.8 -66.5 44.7 618 175 B S H < S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.800 118.6 40.9 -55.6 -34.5 35.5 -68.5 48.0 619 176 B E H 4 S+ 0 0 145 -4,-0.4 -2,-0.2 -5,-0.3 -1,-0.2 0.801 132.1 17.2 -89.0 -37.0 39.1 -69.0 46.7 620 177 B K H < S+ 0 0 96 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.2 0.646 133.7 35.9-115.0 -23.7 40.1 -65.6 45.1 621 178 B c >X + 0 0 0 -4,-2.2 3,-2.0 -5,-0.5 4,-1.8 -0.461 65.3 160.9-124.2 62.2 37.5 -63.1 46.6 622 179 B P T 34 S+ 0 0 75 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 0.730 74.4 56.5 -62.8 -19.6 37.1 -64.5 50.2 623 180 B G T 34 S+ 0 0 60 1,-0.2 8,-0.1 -3,-0.1 -5,-0.1 0.648 113.0 39.3 -80.0 -19.6 35.6 -61.1 51.3 624 181 B N T <4 S+ 0 0 18 -3,-2.0 8,-2.5 -7,-0.2 -1,-0.2 0.616 88.2 116.8-102.1 -17.9 32.9 -61.2 48.6 625 182 B A S ><>S- 0 0 1 -4,-1.8 5,-2.0 -8,-0.4 3,-1.2 -0.200 70.1-129.6 -48.9 137.9 32.2 -65.0 49.0 626 183 B L G > 5S+ 0 0 50 1,-0.3 3,-1.7 3,-0.2 35,-0.1 0.887 104.5 58.6 -69.6 -39.1 28.6 -65.6 50.2 627 184 B E G 3 5S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.257 106.3 52.2 -76.1 13.2 29.5 -68.0 53.1 628 185 B K G < 5S- 0 0 142 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 0.208 128.7 -90.2-125.8 7.7 31.7 -65.2 54.6 629 186 B G T < 5S+ 0 0 77 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.589 84.1 134.7 89.5 12.9 29.1 -62.4 54.6 630 187 B G S - 0 0 0 -2,-0.2 4,-2.3 -3,-0.1 -21,-0.2 -0.097 66.2 -92.8 -61.1 174.5 30.1 -64.3 43.1 634 191 B I H > S+ 0 0 0 -23,-2.2 4,-1.9 2,-0.2 -21,-0.2 0.913 129.5 46.7 -58.2 -47.9 29.7 -62.3 39.8 635 192 B T H > S+ 0 0 0 -23,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.900 111.7 50.2 -62.9 -45.8 26.8 -64.7 38.8 636 193 B E H > S+ 0 0 6 -24,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.864 112.2 47.6 -63.2 -37.2 25.1 -64.5 42.2 637 194 B Q H X S+ 0 0 11 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.839 108.3 55.4 -73.2 -31.2 25.3 -60.7 42.0 638 195 B L H X S+ 0 0 3 -4,-1.9 4,-1.8 2,-0.2 5,-0.4 0.952 108.2 48.7 -60.4 -50.6 23.9 -60.7 38.4 639 196 B L H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.786 114.0 47.3 -60.7 -32.6 20.9 -62.7 39.7 640 197 B N H < S+ 0 0 79 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.847 105.5 57.2 -73.9 -39.1 20.5 -60.1 42.5 641 198 B A H < S- 0 0 16 -4,-2.3 -2,-0.2 -38,-0.3 -3,-0.1 0.909 87.4-162.8 -63.3 -39.4 20.8 -57.1 40.2 642 199 B R < - 0 0 47 -4,-1.8 2,-0.2 -5,-0.1 -3,-0.1 0.982 4.9-167.1 56.1 61.3 17.8 -58.4 38.1 643 200 B A - 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