==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-07 3BDG . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.C.GRIGG,M.E.MURPHY . 867 6 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 578 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 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 . 50 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 3 2 6 2 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 . 6 0 2 6 0 5 1 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 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 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 2 A P 0 0 181 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.8 -11.2 -24.9 9.5 2 3 A E - 0 0 116 1,-0.1 349,-0.1 3,-0.0 350,-0.1 -0.622 360.0-129.5-100.3 136.4 -10.5 -21.5 11.0 3 4 A M - 0 0 25 -2,-0.3 2,-0.2 348,-0.1 32,-0.2 -0.507 52.0-104.9 -60.7 136.7 -7.5 -19.7 12.5 4 5 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 406,-0.1 -0.452 24.0-152.5 -81.9 145.7 -8.7 -18.4 15.9 5 6 A V - 0 0 18 -2,-0.2 2,-0.5 72,-0.1 72,-0.2 -0.875 40.0-100.8 -99.6 142.5 -9.7 -14.9 16.9 6 7 A L - 0 0 23 70,-2.5 3,-0.2 -2,-0.4 69,-0.0 -0.530 39.4-170.9 -66.8 116.4 -9.2 -14.2 20.7 7 8 A E + 0 0 174 -2,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.783 66.1 5.7 -82.8 -32.5 -12.7 -14.5 22.0 8 9 A N + 0 0 89 15,-0.1 -1,-0.2 67,-0.1 64,-0.0 -0.613 51.6 156.0-161.6 97.5 -12.2 -13.2 25.6 9 10 A R + 0 0 12 -3,-0.2 2,-0.1 -2,-0.2 62,-0.1 -0.103 41.4 126.0-111.2 35.5 -9.1 -11.6 27.2 10 11 A A S S- 0 0 21 1,-0.1 59,-0.2 60,-0.1 60,-0.1 -0.401 83.0 -73.9 -69.9 162.4 -11.0 -9.7 29.8 11 12 A A - 0 0 21 57,-3.1 12,-0.2 1,-0.1 10,-0.2 -0.441 48.4-141.1 -54.6 136.4 -9.9 -10.2 33.4 12 13 A Q - 0 0 81 10,-2.4 9,-0.2 7,-0.3 -1,-0.1 0.685 65.0 -11.4 -89.4 -12.3 -11.3 -13.7 34.1 13 14 A G S S- 0 0 47 7,-2.6 2,-0.7 9,-0.2 7,-0.1 -0.450 107.3 -17.0-150.6-144.1 -12.5 -13.2 37.7 14 15 A D > - 0 0 99 1,-0.1 3,-2.3 -2,-0.1 6,-0.3 -0.738 52.4-149.0 -80.4 113.0 -12.5 -10.9 40.8 15 16 A I T 3 S+ 0 0 33 -2,-0.7 533,-0.5 1,-0.3 6,-0.2 0.652 94.4 58.9 -64.3 -14.3 -9.5 -8.6 40.2 16 17 A T T 3 S+ 0 0 25 4,-0.1 542,-0.4 531,-0.1 -1,-0.3 0.572 97.1 76.4 -85.8 -7.8 -8.9 -8.4 44.0 17 18 A A S X S- 0 0 34 -3,-2.3 3,-2.4 1,-0.1 4,-0.4 -0.669 99.6 -81.3-104.4 154.4 -8.4 -12.1 44.3 18 19 A P T 3 S+ 0 0 70 0, 0.0 529,-0.2 0, 0.0 -4,-0.1 -0.280 117.6 1.9 -52.2 128.4 -5.4 -14.3 43.4 19 20 A G T > S+ 0 0 15 527,-2.1 3,-1.2 -4,-0.1 -7,-0.3 0.351 98.2 116.4 76.9 -6.9 -5.6 -15.0 39.7 20 21 A G T < S+ 0 0 6 -3,-2.4 -7,-2.6 -6,-0.3 -5,-0.2 0.680 72.9 50.7 -70.2 -22.4 -8.7 -12.9 39.2 21 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.3 525,-0.3 839,-0.2 0.429 80.7 125.6 -96.1 1.2 -7.1 -10.3 36.9 22 23 A R < - 0 0 66 -3,-1.2 -10,-2.4 524,-0.2 -9,-0.2 -0.312 43.7-165.5 -55.1 138.8 -5.6 -13.0 34.5 23 24 A R S S+ 0 0 2 -12,-0.2 2,-0.3 834,-0.1 -1,-0.2 0.567 70.6 71.5 -98.0 -14.0 -6.6 -12.5 30.9 24 25 A L - 0 0 7 1,-0.1 -12,-0.1 -15,-0.1 3,-0.1 -0.794 55.8-167.3-101.4 148.1 -5.4 -16.0 30.0 25 26 A T S S- 0 0 111 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.456 71.4 -29.4-105.8 -3.1 -7.1 -19.2 30.9 26 27 A G S S- 0 0 30 825,-0.0 -1,-0.3 0, 0.0 838,-0.0 -0.976 94.8 -26.2 171.9-175.6 -4.3 -21.5 29.9 27 28 A D - 0 0 63 -2,-0.3 4,-0.3 1,-0.1 3,-0.1 -0.268 39.8-161.0 -63.2 141.1 -1.3 -22.0 27.6 28 29 A Q > + 0 0 24 820,-0.2 4,-2.5 1,-0.1 5,-0.2 0.374 63.7 98.7-104.7 3.7 -1.3 -20.2 24.3 29 30 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 86.7 44.8 -62.3 -43.4 1.3 -22.2 22.3 30 31 A A H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 113.4 50.8 -67.7 -43.2 -1.2 -24.4 20.5 31 32 A A H 4 S+ 0 0 32 -4,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.915 112.3 46.6 -59.4 -42.2 -3.5 -21.4 19.7 32 33 A L H >< S+ 0 0 7 -4,-2.5 3,-1.2 2,-0.2 4,-0.3 0.914 109.4 53.3 -71.2 -37.8 -0.6 -19.4 18.3 33 34 A R H >< S+ 0 0 101 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.914 109.8 50.0 -58.8 -38.9 0.7 -22.4 16.2 34 35 A D T 3< S+ 0 0 113 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.548 103.0 62.7 -76.7 -6.8 -2.8 -22.6 14.8 35 36 A S T < S+ 0 0 4 -3,-1.2 2,-0.6 -4,-0.4 375,-0.3 0.450 85.7 92.9 -91.2 -2.1 -2.7 -18.9 14.0 36 37 A L < + 0 0 24 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.0 -0.857 41.5 143.7-107.1 116.4 0.2 -19.2 11.6 37 38 A S - 0 0 29 -2,-0.6 375,-3.0 373,-0.4 376,-0.3 -0.975 30.9-167.3-144.5 141.5 -0.2 -19.6 7.9 38 39 A D + 0 0 86 -2,-0.3 3,-0.1 373,-0.2 424,-0.0 0.058 50.1 127.9-110.4 23.5 1.8 -18.4 4.9 39 40 A K S S- 0 0 79 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.287 75.4 -75.5 -63.2 160.6 -0.9 -19.3 2.3 40 41 A P - 0 0 99 0, 0.0 2,-0.7 0, 0.0 393,-0.2 -0.265 39.4-126.6 -59.7 145.0 -1.9 -16.4 0.1 41 42 A A - 0 0 5 391,-2.4 315,-0.2 1,-0.2 3,-0.1 -0.873 18.4-169.3 -83.7 121.9 -4.1 -13.7 1.4 42 43 A K S S+ 0 0 72 313,-2.5 274,-0.4 -2,-0.7 2,-0.3 0.881 75.9 17.8 -70.9 -40.9 -7.0 -13.4 -1.0 43 44 A N E -a 356 0A 3 312,-1.6 314,-2.6 272,-0.2 2,-0.4 -0.931 64.5-157.2-131.0 154.8 -8.0 -10.1 0.8 44 45 A I E -ab 357 317A 0 272,-2.0 274,-2.5 -2,-0.3 2,-0.5 -0.999 3.3-171.2-130.8 134.3 -6.4 -7.6 3.1 45 46 A I E -ab 358 318A 0 312,-2.6 314,-2.4 -2,-0.4 2,-0.5 -0.983 8.7-169.4-121.8 116.5 -8.3 -5.2 5.4 46 47 A L E -ab 359 319A 0 272,-2.6 274,-2.8 -2,-0.5 2,-0.5 -0.937 2.3-165.6-108.1 119.8 -6.0 -2.6 7.0 47 48 A L E -ab 360 320A 0 312,-3.3 314,-2.5 -2,-0.5 2,-0.5 -0.940 2.7-167.7-110.3 129.4 -7.5 -0.6 9.9 48 49 A I E -ab 361 321A 0 272,-2.9 274,-2.7 -2,-0.5 2,-0.7 -0.955 9.5-160.0-118.4 121.6 -5.8 2.6 11.0 49 50 A G E > -ab 362 322A 4 312,-2.6 3,-2.2 -2,-0.5 314,-0.5 -0.913 29.5-124.1 -97.6 113.6 -6.7 4.4 14.2 50 51 A D T 3 S- 0 0 21 272,-2.3 316,-0.1 -2,-0.7 3,-0.1 -0.392 93.3 -4.2 -53.4 124.4 -5.4 8.0 13.9 51 52 A G T 3 S+ 0 0 0 313,-0.4 2,-2.1 1,-0.2 315,-1.8 0.553 91.0 150.8 71.6 8.1 -3.1 8.6 16.9 52 53 A M < + 0 0 6 -3,-2.2 -1,-0.2 313,-0.2 -3,-0.2 -0.400 14.0 155.3 -87.1 70.3 -3.9 5.2 18.4 53 54 A G > - 0 0 1 -2,-2.1 4,-2.4 311,-0.1 5,-0.2 -0.148 63.7 -86.1 -76.8 177.3 -0.8 4.3 20.3 54 55 A D H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 785,-0.5 0.872 129.0 55.4 -60.1 -33.9 -0.7 1.9 23.2 55 56 A S H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.915 107.8 47.7 -64.4 -43.3 -1.6 4.7 25.6 56 57 A E H > S+ 0 0 14 -5,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 111.4 50.8 -65.9 -41.4 -4.7 5.6 23.6 57 58 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.948 113.0 46.6 -60.0 -45.9 -5.8 2.0 23.5 58 59 A T H X S+ 0 0 3 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.918 112.4 49.1 -63.8 -43.9 -5.3 1.6 27.2 59 60 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.915 113.6 46.3 -63.5 -42.7 -7.2 4.9 28.1 60 61 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.5 0.887 113.2 49.0 -67.3 -40.5 -10.1 4.0 25.9 61 62 A R H X>S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-1.4 0.971 112.1 49.3 -62.8 -48.8 -10.2 0.4 27.3 62 63 A N H X5S+ 0 0 4 -4,-3.1 4,-0.7 3,-0.2 325,-0.6 0.928 118.8 38.9 -53.7 -47.3 -10.1 1.8 30.8 63 64 A Y H <5S+ 0 0 22 -4,-2.5 324,-1.8 -5,-0.2 -1,-0.2 0.952 127.4 28.5 -69.5 -53.9 -12.9 4.3 30.1 64 65 A A H <5S+ 0 0 14 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.766 138.4 18.0 -86.4 -28.4 -15.3 2.3 27.9 65 66 A E H <5S- 0 0 80 -4,-2.7 -3,-0.2 -5,-0.5 -2,-0.1 0.510 106.7-109.2-119.6 -10.6 -14.6 -1.3 29.1 66 67 A G ><< - 0 0 1 -5,-1.4 3,-2.3 -4,-0.7 -3,-0.1 0.025 42.5 -74.0 85.9 157.0 -12.9 -0.9 32.5 67 68 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.870 136.8 41.7 -55.7 -39.4 -9.3 -1.7 33.3 68 69 A G T 3 S+ 0 0 16 -6,-0.1 -57,-3.1 -3,-0.1 -1,-0.3 0.236 97.7 107.3 -93.4 12.1 -10.0 -5.4 33.1 69 70 A G < - 0 0 11 -3,-2.3 2,-0.3 -59,-0.2 -3,-0.1 -0.032 59.5-132.7 -80.7-168.8 -12.2 -5.2 30.1 70 71 A F - 0 0 17 -5,-0.1 2,-0.8 -60,-0.1 -60,-0.1 -0.987 8.9-132.8-152.9 126.4 -11.5 -6.3 26.5 71 72 A F > - 0 0 1 -2,-0.3 4,-1.6 1,-0.1 5,-0.3 -0.784 19.0-151.9 -82.7 114.7 -12.0 -4.7 23.1 72 73 A K T 4 S+ 0 0 141 -2,-0.8 -1,-0.1 3,-0.1 269,-0.0 0.686 92.5 27.5 -64.7 -17.4 -13.6 -7.5 21.1 73 74 A G T >4 S+ 0 0 0 2,-0.1 3,-1.8 3,-0.1 4,-0.4 0.781 126.7 36.8-100.1 -73.3 -12.1 -6.0 18.0 74 75 A I G >4 S+ 0 0 0 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.826 123.9 40.6 -56.1 -37.6 -8.8 -4.2 18.8 75 76 A D G 3< S+ 0 0 1 -4,-1.6 780,-0.5 1,-0.2 -1,-0.3 0.459 101.2 76.0 -91.8 1.0 -7.6 -6.6 21.6 76 77 A A G < + 0 0 0 -3,-1.8 -70,-2.5 -5,-0.3 -1,-0.2 0.497 61.4 106.4 -95.3 -5.2 -8.7 -9.7 19.7 77 78 A L < - 0 0 0 -3,-0.5 778,-0.2 -4,-0.4 332,-0.2 -0.619 58.5-152.5 -80.4 127.4 -5.9 -10.0 17.1 78 79 A P S S+ 0 0 3 0, 0.0 2,-0.5 0, 0.0 331,-0.1 0.686 73.5 63.2 -78.7 -19.0 -3.6 -12.8 18.2 79 80 A L E +C 408 0A 2 329,-1.7 329,-2.7 774,-0.1 2,-0.3 -0.936 66.5 169.4-115.9 122.5 -0.3 -11.7 16.6 80 81 A T E +CD 407 515A 0 435,-0.5 338,-0.8 -2,-0.5 435,-0.5 -0.965 9.2 147.7-137.1 145.5 1.2 -8.5 17.8 81 82 A G E -Ce 406 418A 0 325,-2.8 325,-2.1 -2,-0.3 2,-0.4 -0.805 39.1-100.9-152.3-161.4 4.3 -6.5 17.6 82 83 A Q E -Ce 405 419A 0 336,-2.1 338,-1.9 323,-0.2 2,-0.3 -0.999 29.5-161.8-133.4 135.7 5.6 -2.9 17.6 83 84 A Y E -Ce 404 420A 0 321,-2.6 321,-1.9 -2,-0.4 2,-0.4 -0.866 14.9-126.8-124.5 157.1 6.7 -0.8 14.6 84 85 A T E - e 0 421A 4 336,-1.8 338,-2.8 -2,-0.3 339,-0.3 -0.765 18.2-177.8-100.6 141.3 8.8 2.3 14.1 85 86 A H + 0 0 2 -2,-0.4 14,-0.2 316,-0.3 22,-0.1 0.138 21.5 150.8-130.5 22.7 7.4 5.3 12.1 86 87 A Y - 0 0 9 315,-0.1 11,-0.2 416,-0.1 2,-0.1 -0.195 30.7-148.3 -52.6 145.4 10.2 7.9 12.0 87 88 A A E -T 96 0B 1 9,-2.3 9,-2.7 26,-0.1 2,-0.3 -0.224 16.8-105.0 -97.0-167.3 10.2 10.2 8.9 88 89 A L E -Tu 95 115B 1 26,-2.2 28,-0.5 7,-0.3 2,-0.4 -0.947 21.2-114.9-123.7 147.6 13.1 11.8 7.1 89 90 A N > - 0 0 45 5,-3.2 4,-2.5 -2,-0.3 5,-0.1 -0.678 29.0-139.6 -73.4 129.6 14.5 15.3 7.0 90 91 A K T 4 S+ 0 0 87 -2,-0.4 -1,-0.1 1,-0.2 25,-0.1 0.900 95.9 40.2 -62.2 -40.1 13.9 16.4 3.4 91 92 A K T 4 S+ 0 0 187 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.880 128.7 26.5 -78.0 -39.9 17.2 18.2 3.0 92 93 A T T 4 S- 0 0 81 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.692 87.7-136.2 -98.2 -23.8 19.6 15.9 4.9 93 94 A G < + 0 0 11 -4,-2.5 -3,-0.1 1,-0.3 3,-0.1 0.470 60.5 134.1 73.0 2.1 17.8 12.5 4.5 94 95 A K - 0 0 89 1,-0.2 -5,-3.2 -6,-0.1 -1,-0.3 -0.428 67.9 -79.7 -74.3 157.5 18.6 11.8 8.2 95 96 A P E -T 88 0B 10 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.241 31.1-153.6 -58.2 142.4 15.8 10.5 10.4 96 97 A D E -T 87 0B 34 -9,-2.7 -9,-2.3 -3,-0.1 732,-0.1 -0.994 13.8-150.2-112.2 113.4 13.2 12.9 11.7 97 98 A Y S S+ 0 0 7 -2,-0.5 2,-0.5 730,-0.4 -12,-0.2 0.613 78.9 55.7 -68.6 -14.6 12.1 11.1 14.9 98 99 A V S S- 0 0 11 709,-0.1 -1,-0.2 -12,-0.1 303,-0.1 -0.905 73.7-165.2-127.1 103.4 8.5 12.4 14.9 99 100 A T - 0 0 5 -2,-0.5 2,-0.2 301,-0.2 -13,-0.1 -0.327 12.2-134.9 -78.2 159.6 6.4 11.8 11.8 100 101 A D > - 0 0 28 -2,-0.1 4,-1.8 299,-0.0 5,-0.2 -0.524 37.8 -95.4 -98.7-178.6 3.2 13.4 10.7 101 102 A S H > S+ 0 0 9 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.786 121.0 55.1 -68.0 -29.2 0.2 11.4 9.3 102 103 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 18,-0.3 0.938 108.7 44.4 -72.8 -45.7 1.3 12.0 5.7 103 104 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.888 116.6 47.6 -68.1 -37.0 4.8 10.7 5.9 104 105 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.921 111.4 48.7 -70.7 -43.2 3.6 7.6 7.9 105 106 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.906 110.3 53.5 -61.1 -39.2 0.8 6.8 5.5 106 107 A T H X>S+ 0 0 0 -4,-2.3 4,-2.4 12,-0.3 6,-0.6 0.916 105.3 56.0 -58.8 -41.4 3.3 7.1 2.6 107 108 A A H X5S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 319,-0.3 0.929 113.9 35.8 -61.3 -49.0 5.5 4.6 4.4 108 109 A W H <5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.778 120.6 48.4 -76.9 -22.3 3.0 1.8 4.7 109 110 A S H <5S+ 0 0 0 -4,-2.0 22,-1.9 -5,-0.2 -2,-0.2 0.778 130.8 15.5 -87.3 -25.8 1.3 2.6 1.3 110 111 A T H <5S- 0 0 7 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.572 92.0-123.6-121.4 -15.5 4.5 2.8 -0.8 111 112 A G S < -u 88 0B 20 -2,-0.3 3,-2.2 -28,-0.2 -26,-0.1 -0.550 60.7 -81.4 -89.7 154.4 9.5 13.9 4.7 116 117 A N T 3 S+ 0 0 54 -28,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.322 117.5 21.1 -55.8 129.1 6.7 15.2 6.9 117 118 A G T 3 S+ 0 0 10 1,-0.3 48,-1.7 47,-0.1 -1,-0.3 0.159 91.7 127.3 97.9 -14.1 3.7 16.3 4.8 118 119 A A < - 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0 0 0 -4,-2.2 2,-0.6 -5,-0.1 -1,-0.1 -0.976 48.0-162.3-134.6 142.0 -2.5 10.8 -4.5 161 162 A H + 0 0 5 -2,-0.4 2,-0.3 27,-0.2 -41,-0.2 -0.939 35.6 146.2-121.8 101.8 1.1 11.7 -5.1 162 163 A V B -V 119 0C 0 -43,-2.1 -43,-2.4 -2,-0.6 -41,-0.2 -0.977 54.3-126.4-140.4 153.3 1.7 15.3 -4.0 163 164 A T S S+ 0 0 26 -2,-0.3 2,-0.3 -45,-0.2 -43,-0.1 0.641 97.7 30.1 -78.0 -12.4 4.5 17.2 -2.4 164 165 A S > - 0 0 28 -46,-0.1 3,-2.0 -45,-0.1 -46,-0.2 -0.980 68.9-138.0-146.4 133.8 2.3 18.6 0.4 165 166 A R T 3 S+ 0 0 65 -48,-1.7 -47,-0.1 -2,-0.3 -48,-0.1 0.636 99.9 74.2 -61.4 -13.2 -0.7 17.1 2.1 166 167 A K T 3 + 0 0 134 1,-0.2 2,-2.4 -49,-0.1 3,-0.3 0.604 67.2 97.9 -73.3 -11.1 -2.3 20.5 2.0 167 168 A a < + 0 0 0 -3,-2.0 23,-2.6 1,-0.2 24,-0.2 -0.327 42.2 146.9 -82.7 64.3 -2.9 20.2 -1.7 168 169 A Y + 0 0 50 -2,-2.4 23,-2.1 21,-0.2 -1,-0.2 0.878 63.8 0.1 -67.9 -46.5 -6.6 19.1 -1.3 169 170 A G S > S- 0 0 0 -3,-0.3 4,-2.3 21,-0.2 5,-0.2 -0.722 92.4 -73.1-136.4-177.7 -8.1 20.6 -4.5 170 171 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.884 124.2 48.8 -50.7 -45.4 -7.1 22.7 -7.5 171 172 A S H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.889 114.3 42.5 -70.5 -40.1 -6.7 26.0 -5.7 172 173 A A H > S+ 0 0 21 2,-0.2 4,-3.2 1,-0.2 5,-0.5 0.858 115.9 52.0 -70.3 -32.4 -4.5 24.7 -2.8 173 174 A T H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 8,-0.4 0.936 106.2 51.0 -70.7 -45.1 -2.5 22.6 -5.3 174 175 A S H < S+ 0 0 24 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.837 120.3 38.4 -60.4 -32.8 -1.8 25.5 -7.7 175 176 A E H < S+ 0 0 135 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.943 131.6 20.1 -78.2 -54.5 -0.6 27.5 -4.7 176 177 A K H < S+ 0 0 91 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.657 133.8 31.9 -99.9 -21.9 1.3 25.0 -2.5 177 178 A a >X + 0 0 0 -4,-2.1 3,-2.0 -5,-0.5 4,-1.1 -0.487 67.4 162.1-129.3 59.7 2.2 22.1 -4.9 178 179 A P G >4 S+ 0 0 60 0, 0.0 3,-0.7 0, 0.0 8,-0.3 0.864 73.3 57.0 -57.4 -35.7 2.6 24.0 -8.2 179 180 A G G 34 S+ 0 0 60 1,-0.2 8,-0.1 -3,-0.1 -5,-0.1 0.769 110.5 45.6 -63.8 -23.6 4.5 21.1 -9.9 180 181 A N G <4 S+ 0 0 18 -3,-2.0 8,-2.6 -7,-0.3 -1,-0.2 0.592 84.9 116.6 -91.1 -14.4 1.5 18.8 -9.2 181 182 A A X<> - 0 0 0 -4,-1.1 5,-2.5 -3,-0.7 3,-1.3 -0.342 68.4-131.9 -62.4 135.8 -1.2 21.3 -10.3 182 183 A L G > 5S+ 0 0 55 1,-0.3 3,-1.5 3,-0.2 -1,-0.1 0.902 106.9 46.6 -55.2 -45.1 -3.1 20.0 -13.4 183 184 A E G 3 5S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.590 109.3 56.4 -79.4 -7.5 -2.7 23.2 -15.3 184 185 A K G < 5S- 0 0 116 -3,-1.3 -1,-0.3 -6,-0.2 -2,-0.2 0.196 129.4 -91.5-103.0 11.1 1.0 23.4 -14.5 185 186 A G T < 5S+ 0 0 74 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.433 87.2 117.7 99.6 4.0 1.7 20.0 -16.0 186 187 A G S - 0 0 0 -2,-0.2 4,-2.8 -3,-0.1 5,-0.3 -0.145 65.2 -95.5 -65.3 169.5 -4.7 17.8 -6.7 190 191 A I H > S+ 0 0 0 -23,-2.6 4,-2.6 1,-0.2 -21,-0.2 0.923 127.0 48.3 -52.3 -47.2 -5.4 15.1 -4.1 191 192 A T H > S+ 0 0 0 -23,-2.1 4,-2.1 -24,-0.2 -1,-0.2 0.891 111.8 48.9 -66.8 -38.0 -9.1 15.1 -5.1 192 193 A E H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 112.3 47.8 -67.3 -41.1 -8.3 14.9 -8.8 193 194 A Q H X S+ 0 0 9 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.901 108.6 55.6 -67.6 -36.6 -5.9 12.0 -8.3 194 195 A L H X S+ 0 0 2 -4,-2.6 4,-1.6 -5,-0.3 5,-0.4 0.938 107.9 48.8 -55.8 -45.9 -8.5 10.3 -6.2 195 196 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.8 48.0 -66.1 -35.3 -10.9 10.5 -9.0 196 197 A N H < S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 104.5 58.8 -66.9 -40.8 -8.3 9.1 -11.4 197 198 A A H < S- 0 0 19 -4,-2.8 -1,-0.2 -38,-0.2 -2,-0.2 0.839 87.6-163.8 -63.0 -35.5 -7.3 6.2 -9.1 198 199 A R < - 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0 0 16 -468,-0.3 -37,-0.3 1,-0.1 -783,-0.2 -0.296 62.9-113.1 -60.1 139.2 -0.2 2.8 29.3 839 416 B Q - 0 0 2 -785,-0.5 2,-0.3 -320,-0.1 -320,-0.2 -0.266 45.2-159.9 -56.7 156.1 -0.0 -0.9 28.6 840 417 B L E -M 518 0A 1 -322,-1.9 -322,-2.6 -352,-0.1 -352,-0.1 -0.943 17.4 -70.3-150.6 167.2 3.5 -1.8 27.5 841 418 B R E +M 517 0A 5 -2,-0.3 -43,-0.4 -324,-0.2 2,-0.4 -0.199 34.5 178.5 -60.1 136.6 5.7 -4.3 25.7 842 419 B I E -M 516 0A 2 -326,-2.0 -326,-2.8 10,-0.2 2,-0.3 -0.990 11.2-178.0-130.6 139.4 6.5 -7.7 27.0 843 420 B A E -MS 515 796A 0 -47,-2.1 -47,-2.8 -2,-0.4 2,-0.3 -0.963 1.8-176.2-138.8 151.1 8.7 -9.9 24.9 844 421 B A E -MS 514 795A 0 -330,-2.6 -330,-1.9 -2,-0.3 2,-0.3 -0.978 15.8-163.0-151.4 163.1 10.0 -13.5 25.2 845 422 B Y E + S 0 794A 7 -51,-2.1 -51,-2.8 -2,-0.3 -405,-0.1 -0.991 56.1 25.7-143.8 135.3 12.2 -16.2 23.8 846 423 B G S > S- 0 0 2 -376,-0.4 3,-2.0 -2,-0.3 -374,-0.4 -0.501 98.5 -2.1 109.5-174.5 12.1 -20.0 24.6 847 424 B P T 3 S+ 0 0 2 0, 0.0 -374,-0.2 0, 0.0 -2,-0.1 -0.255 130.0 8.1 -57.0 136.8 9.6 -22.6 25.8 848 425 B H T > S+ 0 0 16 -376,-2.6 3,-1.9 1,-0.1 -820,-0.2 0.462 82.6 133.1 70.9 9.5 6.2 -21.1 26.6 849 426 B A G X + 0 0 1 -3,-2.0 3,-1.9 1,-0.3 4,-0.3 0.699 54.3 80.5 -61.6 -20.3 7.0 -17.7 25.2 850 427 B A G > S+ 0 0 2 -378,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.768 76.4 75.3 -54.0 -25.6 3.6 -17.7 23.3 851 428 B N G < S+ 0 0 6 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.476 89.7 54.3 -76.9 1.5 2.0 -16.7 26.6 852 429 B V G < S+ 0 0 2 -3,-1.9 -1,-0.3 4,-0.1 -10,-0.2 0.451 85.8 104.2-102.6 -3.9 3.3 -13.1 26.3 853 430 B V S < S+ 0 0 2 -3,-1.7 -337,-0.3 -4,-0.3 -774,-0.1 -0.424 77.4 4.4 -81.0 150.4 1.8 -12.5 22.8 854 431 B G E S-n 516 0A 0 -339,-0.8 -337,-1.9 -2,-0.1 2,-0.5 -0.340 117.5 -22.5 75.1-165.2 -1.3 -10.4 22.4 855 432 B L E S+n 517 0A 1 -780,-0.5 2,-0.3 -778,-0.2 -337,-0.2 -0.728 74.1 156.6 -80.4 125.7 -3.0 -8.6 25.3 856 433 B T E -n 518 0A 4 -339,-1.8 -337,-1.8 -2,-0.5 2,-0.3 -0.842 37.8-114.0-133.1 175.0 -2.2 -10.1 28.7 857 434 B D E >> -n 519 0A 0 -2,-0.3 3,-1.2 -339,-0.3 4,-0.8 -0.833 28.1-115.5-105.4 156.2 -2.2 -8.8 32.3 858 435 B Q H >> S+ 0 0 1 -339,-2.9 3,-0.9 -2,-0.3 4,-0.6 0.858 117.4 60.0 -58.2 -31.7 0.9 -8.4 34.4 859 436 B T H >> S+ 0 0 0 -340,-0.3 4,-1.2 1,-0.2 3,-0.6 0.792 92.5 65.7 -66.1 -27.8 -0.6 -11.1 36.7 860 437 B D H <> S+ 0 0 2 -3,-1.2 4,-2.8 1,-0.2 -1,-0.2 0.804 90.1 66.9 -59.2 -30.0 -0.6 -13.5 33.8 861 438 B L H S+ 0 0 59 -4,-2.7 5,-2.7 -5,-0.2 4,-0.5 0.931 115.3 42.1 -54.7 -50.7 4.7 -21.0 37.3 867 444 B A H ><5S+ 0 0 63 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.887 110.7 55.4 -70.8 -38.9 3.4 -23.2 34.5 868 445 B A H 3<5S+ 0 0 3 -4,-2.4 -392,-2.3 -5,-0.3 -1,-0.2 0.889 114.2 40.1 -61.0 -39.0 6.5 -23.1 32.4 869 446 B L H 3<5S- 0 0 23 -4,-2.0 -1,-0.2 -394,-0.2 -2,-0.2 0.446 111.5-120.6 -87.2 -4.4 8.6 -24.3 35.3 870 447 B G T <<5 + 0 0 60 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.861 54.8 162.1 66.6 36.1 6.0 -26.8 36.4 871 448 B L < 0 0 14 -5,-2.7 -1,-0.2 -6,-0.2 -301,-0.1 -0.616 360.0 360.0 -86.5 146.9 5.6 -25.3 39.9 872 449 B K 0 0 223 -2,-0.3 -1,-0.1 -303,-0.2 -5,-0.1 0.607 360.0 360.0-106.4 360.0 2.6 -25.9 42.1