==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-07 3BDH . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.C.GRIGG,M.E.MURPHY . 898 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 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 . 1 0.1 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 . 90 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 6 2 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 . 8 0 2 6 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 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 . 2 4 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 1 A T 0 0 186 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 94.5 -10.4 -26.8 8.3 2 2 A P - 0 0 130 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.329 360.0 -89.8 -70.6 170.1 -11.5 -24.9 11.5 3 3 A E - 0 0 109 1,-0.1 354,-0.1 -2,-0.0 355,-0.1 -0.567 40.8-102.8 -78.2 144.0 -11.1 -21.1 11.5 4 4 A M - 0 0 27 -2,-0.2 32,-0.1 353,-0.1 356,-0.1 -0.492 57.2-103.5 -56.9 135.0 -7.8 -19.6 12.8 5 5 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 418,-0.1 -0.376 27.9-154.9 -76.6 145.2 -8.9 -18.4 16.3 6 6 A V - 0 0 17 72,-0.1 2,-0.5 -2,-0.1 72,-0.2 -0.880 40.0 -97.5-102.9 148.5 -9.7 -14.8 17.3 7 7 A L - 0 0 24 70,-2.6 3,-0.2 -2,-0.4 69,-0.0 -0.540 40.3-173.0 -68.1 115.0 -9.3 -14.0 21.0 8 8 A E + 0 0 149 -2,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.814 67.6 6.0 -81.1 -33.1 -12.8 -14.3 22.4 9 9 A N + 0 0 91 15,-0.1 -1,-0.2 1,-0.1 64,-0.0 -0.660 51.7 154.4-161.3 97.1 -12.2 -13.1 25.9 10 10 A R + 0 0 12 -3,-0.2 2,-0.1 -2,-0.2 62,-0.1 -0.112 41.3 126.4-114.2 34.4 -9.1 -11.6 27.5 11 11 A A S S- 0 0 22 1,-0.2 59,-0.2 60,-0.1 60,-0.1 -0.406 84.5 -72.8 -66.5 160.8 -10.9 -9.6 30.2 12 12 A A - 0 0 22 57,-3.3 12,-0.2 1,-0.1 10,-0.2 -0.429 50.2-141.5 -53.3 133.2 -9.8 -10.1 33.7 13 13 A Q - 0 0 82 10,-2.6 9,-0.2 7,-0.3 2,-0.2 0.605 65.8 -5.6 -86.6 -12.0 -11.2 -13.6 34.4 14 14 A G S S- 0 0 46 7,-2.6 2,-0.7 9,-0.2 7,-0.1 -0.498 107.4 -22.1-148.8-144.1 -12.3 -13.2 38.0 15 15 A D > - 0 0 97 -2,-0.2 3,-2.4 1,-0.1 6,-0.4 -0.768 51.4-148.6 -86.4 114.0 -12.3 -10.9 41.0 16 16 A I T 3 S+ 0 0 31 -2,-0.7 548,-0.6 1,-0.3 6,-0.3 0.672 94.8 58.7 -63.5 -16.6 -9.4 -8.5 40.5 17 17 A T T 3 S+ 0 0 25 4,-0.1 557,-0.3 546,-0.1 -1,-0.3 0.549 98.1 75.5 -84.4 -9.5 -8.8 -8.3 44.3 18 18 A A S X S- 0 0 31 -3,-2.4 3,-2.2 1,-0.1 4,-0.4 -0.674 99.7 -81.1-104.8 155.6 -8.3 -12.1 44.6 19 19 A P T 3 S+ 0 0 68 0, 0.0 544,-0.2 0, 0.0 -4,-0.1 -0.316 117.8 1.4 -52.3 128.2 -5.3 -14.3 43.7 20 20 A G T > S+ 0 0 14 542,-2.3 3,-1.2 -4,-0.1 -7,-0.3 0.328 98.4 116.8 77.2 -7.4 -5.5 -15.0 39.9 21 21 A G T < S+ 0 0 6 -3,-2.2 -7,-2.6 -6,-0.4 -5,-0.3 0.740 73.4 49.6 -69.3 -25.0 -8.6 -12.9 39.5 22 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.3 540,-0.3 865,-0.2 0.399 81.2 125.6 -94.4 1.4 -7.0 -10.3 37.2 23 23 A R < - 0 0 63 -3,-1.2 -10,-2.6 539,-0.2 -9,-0.2 -0.338 44.3-164.7 -55.4 138.3 -5.5 -12.9 34.8 24 24 A R S S+ 0 0 2 -12,-0.2 2,-0.3 860,-0.1 -1,-0.1 0.569 71.6 68.6 -96.8 -15.3 -6.5 -12.4 31.2 25 25 A L - 0 0 9 1,-0.1 -12,-0.1 859,-0.1 3,-0.1 -0.772 56.3-166.2-105.2 148.8 -5.4 -16.0 30.3 26 26 A T S S- 0 0 107 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.494 71.5 -29.2-106.2 -9.2 -7.0 -19.3 31.3 27 27 A G S S- 0 0 29 851,-0.0 -1,-0.3 0, 0.0 864,-0.0 -0.987 93.8 -23.3 177.3-172.9 -4.1 -21.5 30.2 28 28 A D - 0 0 69 -2,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.251 40.1-161.0 -61.4 141.4 -1.1 -22.1 28.0 29 29 A Q > + 0 0 24 846,-0.2 4,-2.5 1,-0.1 5,-0.2 0.372 63.7 99.3-106.1 2.2 -1.1 -20.3 24.6 30 30 A T H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 88.2 43.9 -60.3 -47.4 1.4 -22.4 22.6 31 31 A A H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 112.4 52.5 -62.2 -45.7 -1.3 -24.4 20.8 32 32 A A H 4 S+ 0 0 30 -4,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.901 112.4 45.7 -56.6 -43.5 -3.5 -21.3 20.1 33 33 A L H >< S+ 0 0 5 -4,-2.5 3,-1.4 2,-0.2 4,-0.5 0.910 109.4 53.3 -69.4 -42.6 -0.5 -19.5 18.5 34 34 A R H >< S+ 0 0 115 -4,-2.3 3,-0.9 1,-0.3 -2,-0.2 0.890 110.3 49.8 -58.3 -36.2 0.5 -22.5 16.4 35 35 A D T 3< S+ 0 0 107 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.602 104.0 61.6 -73.0 -11.6 -3.1 -22.5 15.2 36 36 A S T < S+ 0 0 4 -3,-1.4 2,-0.6 -4,-0.3 387,-0.3 0.496 86.7 91.4 -91.7 -6.1 -2.7 -18.8 14.4 37 37 A L < + 0 0 23 -3,-0.9 2,-0.3 -4,-0.5 385,-0.0 -0.833 40.8 144.4-107.1 119.1 0.1 -19.2 11.9 38 38 A S - 0 0 28 -2,-0.6 387,-3.2 385,-0.3 388,-0.3 -0.967 29.1-169.1-146.2 137.5 -0.4 -19.6 8.1 39 39 A D + 0 0 85 -2,-0.3 3,-0.1 385,-0.2 439,-0.0 0.069 50.6 126.4-110.3 23.1 1.7 -18.4 5.1 40 40 A K S S- 0 0 81 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.295 76.6 -74.1 -61.7 158.4 -1.0 -19.4 2.6 41 41 A P - 0 0 99 0, 0.0 2,-0.6 0, 0.0 405,-0.2 -0.263 39.5-128.5 -57.3 142.7 -2.1 -16.5 0.3 42 42 A A - 0 0 4 403,-2.7 320,-0.2 1,-0.2 3,-0.1 -0.880 18.4-170.0 -83.5 123.4 -4.2 -13.7 1.7 43 43 A K S S+ 0 0 74 318,-2.6 274,-0.4 -2,-0.6 2,-0.3 0.889 75.0 20.0 -73.7 -41.3 -7.1 -13.3 -0.7 44 44 A N E -a 362 0A 3 317,-1.6 319,-2.5 272,-0.2 2,-0.4 -0.913 64.6-158.5-129.2 149.5 -8.1 -10.1 1.1 45 45 A I E -ab 363 318A 0 272,-2.1 274,-2.2 -2,-0.3 2,-0.5 -0.998 3.1-171.5-125.8 137.7 -6.5 -7.5 3.4 46 46 A I E -ab 364 319A 0 317,-2.4 319,-2.3 -2,-0.4 2,-0.6 -0.983 8.4-168.7-123.3 115.4 -8.3 -5.2 5.7 47 47 A L E -ab 365 320A 0 272,-2.7 274,-2.7 -2,-0.5 2,-0.5 -0.929 2.0-166.2-107.6 119.1 -6.0 -2.6 7.3 48 48 A L E -ab 366 321A 0 317,-3.4 319,-2.3 -2,-0.6 2,-0.5 -0.910 3.2-168.1-109.7 125.8 -7.5 -0.6 10.2 49 49 A I E -ab 367 322A 0 272,-2.9 274,-2.6 -2,-0.5 2,-0.7 -0.961 10.1-159.0-115.7 123.9 -5.7 2.6 11.3 50 50 A G E > - b 0 323A 3 317,-2.7 3,-2.3 -2,-0.5 319,-0.4 -0.907 27.6-125.9 -97.9 112.8 -6.6 4.4 14.5 51 51 A D T 3 S- 0 0 15 272,-2.1 320,-0.1 -2,-0.7 321,-0.1 -0.408 94.0 -5.2 -57.0 116.7 -5.3 8.0 14.2 52 52 A G B 3 S+t 371 0B 0 318,-0.7 320,-3.0 -2,-0.3 2,-2.3 0.493 91.9 146.5 75.2 6.3 -3.1 8.5 17.3 53 53 A M < + 0 0 4 -3,-2.3 318,-0.2 318,-0.2 -3,-0.2 -0.337 17.4 149.0 -81.5 63.3 -4.0 5.1 18.7 54 54 A G > - 0 0 0 -2,-2.3 4,-2.1 316,-0.1 5,-0.2 -0.170 68.1 -80.8 -78.7-175.4 -0.8 4.1 20.4 55 55 A D H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 811,-0.6 0.848 130.6 53.5 -60.8 -36.5 -0.6 1.9 23.5 56 56 A S H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 109.7 47.8 -63.2 -44.9 -1.5 4.8 25.8 57 57 A E H > S+ 0 0 3 -5,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.822 111.8 49.6 -67.2 -34.6 -4.6 5.7 23.8 58 58 A I H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.944 113.3 47.7 -65.0 -48.3 -5.8 2.0 23.7 59 59 A T H X S+ 0 0 4 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.907 111.9 48.6 -61.6 -45.4 -5.3 1.8 27.5 60 60 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.904 114.5 45.5 -62.5 -44.3 -7.1 5.1 28.3 61 61 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.4 0.893 113.9 48.6 -69.6 -41.2 -10.0 4.1 26.1 62 62 A R H X>S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-1.4 0.956 111.9 50.4 -58.6 -51.9 -10.2 0.6 27.6 63 63 A N H X5S+ 0 0 5 -4,-3.2 4,-0.7 3,-0.2 330,-0.6 0.922 118.4 38.2 -49.1 -53.4 -10.0 2.0 31.1 64 64 A Y H <5S+ 0 0 24 -4,-2.5 329,-1.7 328,-0.2 -2,-0.2 0.949 128.2 28.5 -65.8 -53.8 -12.9 4.5 30.4 65 65 A A H <5S+ 0 0 13 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.786 138.1 17.4 -86.5 -29.5 -15.2 2.4 28.2 66 66 A E H <5S- 0 0 76 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.490 106.1-108.2-119.0 -11.9 -14.5 -1.2 29.4 67 67 A G ><< - 0 0 0 -5,-1.4 3,-2.1 -4,-0.7 -3,-0.1 0.027 42.7 -75.0 87.9 157.4 -12.8 -0.8 32.8 68 68 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.864 136.8 40.4 -56.1 -41.2 -9.1 -1.5 33.4 69 69 A G T 3 S+ 0 0 14 -6,-0.1 -57,-3.3 -3,-0.1 -1,-0.3 0.168 98.7 111.5 -94.8 17.9 -9.6 -5.3 33.3 70 70 A G < - 0 0 9 -3,-2.1 2,-0.3 -59,-0.2 -3,-0.1 -0.025 59.1-132.0 -79.9-169.9 -12.0 -5.0 30.4 71 71 A F - 0 0 16 -5,-0.1 2,-0.7 -9,-0.1 -60,-0.1 -0.960 7.4-135.0-155.8 120.1 -11.5 -6.2 26.8 72 72 A F > - 0 0 1 -2,-0.3 4,-1.0 1,-0.1 5,-0.3 -0.743 17.9-151.5 -76.4 113.8 -12.0 -4.6 23.4 73 73 A K T 4 S+ 0 0 128 -2,-0.7 -1,-0.1 3,-0.2 274,-0.0 0.655 93.4 26.5 -64.4 -15.3 -13.7 -7.4 21.4 74 74 A G T >4 S+ 0 0 0 2,-0.0 3,-1.7 3,-0.0 4,-0.4 0.764 127.2 37.1-104.3 -73.1 -12.1 -5.9 18.2 75 75 A I G >4 S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.852 124.3 39.1 -53.5 -47.2 -8.9 -4.1 19.1 76 76 A D G 3< S+ 0 0 0 -4,-1.0 806,-0.5 1,-0.2 -1,-0.3 0.531 100.8 78.5 -82.3 -2.3 -7.7 -6.5 21.8 77 77 A A G < + 0 0 0 -3,-1.7 -70,-2.6 -5,-0.3 -1,-0.2 0.489 60.9 104.3 -92.1 -6.6 -8.8 -9.6 20.0 78 78 A L < - 0 0 0 -3,-0.7 804,-0.2 -4,-0.4 344,-0.2 -0.663 58.8-152.8 -78.8 127.2 -6.0 -10.0 17.4 79 79 A P S S+ 0 0 5 0, 0.0 2,-0.5 0, 0.0 343,-0.1 0.693 73.7 65.7 -77.6 -21.9 -3.7 -12.9 18.5 80 80 A L E +C 421 0A 3 341,-1.7 341,-2.6 800,-0.1 2,-0.3 -0.912 66.5 169.9-111.4 121.9 -0.4 -11.8 16.9 81 81 A T E +CD 420 531A 0 -2,-0.5 350,-0.8 450,-0.5 450,-0.5 -0.951 10.1 149.9-135.1 151.4 1.2 -8.6 18.2 82 82 A G E -Ce 419 431A 0 337,-2.5 337,-2.0 -2,-0.3 2,-0.4 -0.808 39.2-102.2-155.7-166.1 4.4 -6.5 17.9 83 83 A Q E -Ce 418 432A 0 348,-1.8 350,-1.9 335,-0.2 2,-0.3 -0.995 32.2-163.1-132.3 133.8 5.7 -2.9 18.1 84 84 A Y E -Ce 417 433A 0 333,-2.6 333,-1.8 -2,-0.4 2,-0.3 -0.890 13.2-130.4-124.7 156.7 6.6 -0.9 15.1 85 85 A T E + e 0 434A 4 348,-1.8 350,-3.0 -2,-0.3 351,-0.3 -0.791 17.7 178.6-103.4 146.3 8.6 2.3 14.4 86 86 A H + 0 0 1 -2,-0.3 14,-0.2 328,-0.3 22,-0.1 0.067 19.5 153.0-139.1 25.8 7.4 5.2 12.3 87 87 A Y - 0 0 10 327,-0.1 11,-0.2 431,-0.1 2,-0.1 -0.213 31.3-146.6 -54.3 148.1 10.1 7.9 12.2 88 88 A A E -V 97 0C 2 9,-2.6 9,-2.5 26,-0.1 2,-0.4 -0.235 17.0-102.7-100.1-164.5 10.0 10.1 9.1 89 89 A L E -Vw 96 116C 1 26,-2.1 28,-0.5 7,-0.3 2,-0.4 -0.947 20.3-116.6-123.9 146.1 13.0 11.8 7.3 90 90 A N > - 0 0 68 5,-3.0 4,-2.2 -2,-0.4 5,-0.1 -0.691 30.2-138.9 -72.6 129.9 14.3 15.3 7.3 91 91 A K T 4 S+ 0 0 57 -2,-0.4 -1,-0.1 1,-0.2 25,-0.1 0.875 95.4 41.5 -63.8 -38.7 13.8 16.3 3.6 92 92 A K T 4 S+ 0 0 169 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.904 127.5 26.8 -76.6 -42.5 17.2 18.1 3.2 93 93 A T T 4 S- 0 0 83 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.710 88.1-134.3 -97.0 -24.1 19.5 15.7 5.1 94 94 A G < + 0 0 10 -4,-2.2 -3,-0.1 1,-0.3 3,-0.1 0.471 61.5 134.2 76.6 2.6 17.8 12.3 4.8 95 95 A K - 0 0 85 1,-0.1 -5,-3.0 -5,-0.1 -1,-0.3 -0.379 67.9 -79.3 -76.8 159.2 18.4 11.7 8.5 96 96 A P E -V 89 0C 8 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.314 31.3-153.6 -57.7 140.9 15.6 10.4 10.7 97 97 A D E -V 88 0C 34 -9,-2.5 -9,-2.6 -3,-0.1 751,-0.1 -0.988 15.1-149.5-111.2 110.3 13.0 12.9 11.9 98 98 A Y S S+ 0 0 7 -2,-0.6 2,-0.5 749,-0.4 -12,-0.2 0.649 79.5 52.7 -65.7 -18.0 11.9 11.2 15.2 99 99 A V S S- 0 0 14 728,-0.1 -1,-0.2 -12,-0.1 315,-0.1 -0.932 75.2-163.9-125.9 104.6 8.3 12.5 15.2 100 100 A T - 0 0 6 -2,-0.5 2,-0.2 313,-0.2 312,-0.1 -0.359 11.4-133.8 -77.4 159.3 6.3 11.8 11.9 101 101 A D > - 0 0 30 -2,-0.1 4,-1.7 269,-0.0 5,-0.2 -0.502 37.1 -95.3 -97.1-177.0 3.1 13.4 10.8 102 102 A S H > S+ 0 0 10 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.738 121.0 55.3 -72.3 -26.6 0.1 11.5 9.4 103 103 A A H > S+ 0 0 0 2,-0.2 4,-2.4 3,-0.2 18,-0.3 0.940 108.8 43.5 -72.4 -47.8 1.2 12.0 5.8 104 104 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.885 116.4 48.7 -67.7 -37.0 4.7 10.6 6.1 105 105 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 5,-0.3 0.935 111.5 47.8 -67.8 -46.6 3.5 7.6 8.1 106 106 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.910 110.6 53.5 -61.2 -39.4 0.7 6.8 5.7 107 107 A T H X>S+ 0 0 0 -4,-2.4 4,-2.1 12,-0.3 6,-0.6 0.904 105.3 56.8 -57.5 -42.5 3.2 7.1 2.8 108 108 A A H X5S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 331,-0.3 0.929 113.5 34.7 -59.0 -52.5 5.4 4.6 4.6 109 109 A W H <5S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.775 120.0 51.2 -76.4 -23.7 2.9 1.8 4.8 110 110 A S H <5S+ 0 0 0 -4,-2.1 22,-2.0 -5,-0.3 -2,-0.2 0.749 130.0 13.2 -85.6 -22.1 1.3 2.5 1.5 111 111 A T H <5S- 0 0 6 -4,-2.1 -3,-0.2 20,-0.2 -2,-0.2 0.505 92.6-123.5-125.4 -17.9 4.5 2.7 -0.7 112 112 A G S < -w 89 0C 21 -2,-0.3 3,-2.1 -28,-0.2 -26,-0.1 -0.548 59.5 -82.3 -90.2 156.1 9.4 13.8 4.9 117 117 A N T 3 S+ 0 0 54 -28,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.314 116.8 22.1 -60.0 128.8 6.6 15.2 7.0 118 118 A G T 3 S+ 0 0 11 1,-0.3 48,-2.0 47,-0.1 -1,-0.3 0.171 92.4 126.1 100.1 -15.9 3.7 16.4 4.9 119 119 A A < - 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0 0 0 -4,-2.2 2,-0.5 -5,-0.1 -1,-0.1 -0.939 46.7-164.5-131.7 144.7 -2.5 10.7 -4.4 162 162 A H + 0 0 5 -2,-0.4 2,-0.3 27,-0.2 -41,-0.2 -0.917 35.5 144.2-126.3 99.2 1.1 11.7 -5.0 163 163 A V B -X 120 0D 0 -43,-1.9 -43,-2.4 -2,-0.5 -41,-0.2 -0.970 55.2-126.9-139.0 153.5 1.7 15.3 -4.0 164 164 A T S S+ 0 0 28 -2,-0.3 2,-0.3 -45,-0.2 -43,-0.1 0.644 98.4 32.8 -78.2 -14.8 4.6 17.2 -2.4 165 165 A S > - 0 0 27 -45,-0.1 3,-1.8 -46,-0.1 -46,-0.2 -0.983 68.3-140.1-142.7 133.0 2.4 18.6 0.4 166 166 A R T 3 S+ 0 0 61 -48,-2.0 -47,-0.1 -2,-0.3 -1,-0.1 0.624 98.4 76.2 -60.1 -14.8 -0.6 17.1 2.1 167 167 A K T 3 + 0 0 127 1,-0.2 2,-2.4 -49,-0.1 3,-0.3 0.653 65.9 99.4 -69.3 -12.2 -2.2 20.7 1.9 168 168 A a < + 0 0 0 -3,-1.8 23,-2.9 1,-0.2 24,-0.3 -0.270 39.7 145.6 -80.9 56.5 -3.0 20.1 -1.8 169 169 A Y - 0 0 45 -2,-2.4 23,-2.2 21,-0.2 -1,-0.2 0.913 66.3 -1.5 -62.8 -49.1 -6.7 19.2 -1.3 170 170 A G S > S- 0 0 0 -3,-0.3 4,-2.1 21,-0.2 5,-0.2 -0.701 91.5 -75.1-135.5-179.6 -8.1 20.7 -4.5 171 171 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.872 122.9 53.7 -48.0 -45.7 -7.0 22.8 -7.6 172 172 A S H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.944 113.3 39.4 -59.4 -55.0 -6.7 26.1 -5.7 173 173 A A H > S+ 0 0 21 1,-0.2 4,-3.5 2,-0.2 5,-0.5 0.828 115.5 54.4 -66.8 -31.3 -4.3 24.8 -2.9 174 174 A T H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 8,-0.3 0.948 106.4 49.2 -68.1 -50.0 -2.4 22.7 -5.4 175 175 A S H < S+ 0 0 32 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.857 120.7 39.5 -56.9 -36.2 -1.7 25.6 -7.8 176 176 A E H < S+ 0 0 136 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.956 131.3 20.4 -75.1 -56.4 -0.5 27.6 -4.7 177 177 A K H < S+ 0 0 95 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.709 134.3 29.0 -96.8 -25.2 1.4 25.0 -2.6 178 178 A a >X + 0 0 1 -4,-2.2 3,-2.2 -5,-0.5 4,-0.9 -0.475 65.0 162.9-131.0 57.8 2.4 22.2 -5.0 179 179 A P G >4 S+ 0 0 58 0, 0.0 3,-1.0 0, 0.0 8,-0.3 0.859 75.1 59.6 -54.9 -38.6 2.7 24.0 -8.4 180 180 A G G 34 S+ 0 0 61 1,-0.2 8,-0.1 -3,-0.1 9,-0.1 0.795 109.5 45.2 -52.3 -30.3 4.6 21.0 -9.9 181 181 A N G <4 S+ 0 0 18 -3,-2.2 8,-2.6 -7,-0.2 -1,-0.2 0.608 86.1 116.5 -88.4 -13.4 1.6 18.8 -9.1 182 182 A A X<> - 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