==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAY-11 2YIH . COMPND 2 MOLECULE: CEL44C; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA; . AUTHOR A.ARIZA,J.M.EKLOF,O.SPADIUT,W.A.OFFEN,S.M.ROBERTS,W.BESENMAT . 510 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 35 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 2 0 0 1 0 1 2 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 3 0 1 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 . 1 4 2 1 1 2 0 2 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 . 1 2 0 1 0 1 0 1 0 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 8 A K 0 0 127 0, 0.0 453,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.8 40.7 -4.7 -2.6 2 9 A T E -a 454 0A 80 451,-0.2 2,-0.4 495,-0.0 453,-0.2 -0.969 360.0-170.8-112.0 139.1 43.5 -3.0 -4.4 3 10 A I E -a 455 0A 1 451,-2.4 453,-2.9 -2,-0.4 2,-0.4 -0.941 16.4-137.0-120.1 149.1 43.1 -0.7 -7.4 4 11 A T E -a 456 0A 64 -2,-0.4 417,-1.9 451,-0.2 2,-0.4 -0.908 15.9-169.0-108.1 139.1 45.9 0.6 -9.5 5 12 A I E -aB 457 420A 1 451,-2.7 453,-2.6 -2,-0.4 2,-0.5 -0.993 3.9-161.9-129.6 124.5 46.1 4.2 -10.7 6 13 A K E -aB 458 419A 57 413,-2.4 413,-2.2 -2,-0.4 2,-0.5 -0.954 6.7-173.9-112.0 122.1 48.6 5.4 -13.3 7 14 A V E -aB 459 418A 2 451,-2.7 453,-2.4 -2,-0.5 2,-0.5 -0.979 3.7-175.2-118.3 126.4 49.2 9.2 -13.6 8 15 A D E > -aB 460 417A 45 409,-1.9 3,-1.5 -2,-0.5 409,-0.9 -0.929 9.3-168.9-125.0 101.7 51.5 10.5 -16.4 9 16 A T T 3 S+ 0 0 3 451,-2.5 452,-0.1 -2,-0.5 -1,-0.1 0.586 89.6 54.6 -67.7 -12.6 52.1 14.2 -16.1 10 17 A F T 3 S+ 0 0 116 450,-0.3 3,-0.4 407,-0.1 2,-0.3 0.644 96.2 85.6 -86.7 -18.8 53.6 14.2 -19.6 11 18 A K S < S- 0 0 80 -3,-1.5 406,-2.1 1,-0.2 -3,-0.2 -0.676 98.4 -10.6-103.5 136.0 50.6 12.6 -21.3 12 19 A D S S- 0 0 107 -2,-0.3 -1,-0.2 404,-0.2 2,-0.1 0.802 74.8-176.8 54.5 36.4 47.4 14.0 -22.7 13 20 A R + 0 0 119 -3,-0.4 403,-0.2 403,-0.1 -1,-0.2 -0.417 11.1 160.2 -61.5 134.6 48.0 17.5 -21.3 14 21 A K E -E 415 0B 58 401,-1.6 401,-2.7 -2,-0.1 2,-0.1 -0.978 42.0 -97.9-157.9 149.7 45.1 19.8 -22.0 15 22 A P E -E 414 0B 110 0, 0.0 2,-0.7 0, 0.0 399,-0.2 -0.413 25.5-144.4 -74.2 136.6 43.8 23.1 -20.6 16 23 A I - 0 0 11 397,-2.7 359,-0.1 -2,-0.1 358,-0.1 -0.927 21.5-130.2 -96.0 114.4 40.9 22.9 -18.1 17 24 A S > - 0 0 24 -2,-0.7 3,-1.8 361,-0.4 4,-0.2 -0.520 9.4-141.8 -63.6 127.0 38.7 26.0 -18.8 18 25 A P G > S+ 0 0 57 0, 0.0 3,-1.9 0, 0.0 16,-0.4 0.744 93.4 76.7 -66.1 -16.9 38.2 27.6 -15.4 19 26 A Y G 3 S+ 0 0 58 360,-0.4 362,-2.3 1,-0.3 360,-0.1 0.547 72.1 79.2 -76.9 0.3 34.6 28.3 -16.3 20 27 A I G < S+ 0 0 0 -3,-1.8 2,-1.2 360,-0.3 -1,-0.3 0.645 81.0 73.1 -70.9 -17.3 33.6 24.7 -15.7 21 28 A Y S < S+ 0 0 7 -3,-1.9 13,-3.0 -4,-0.2 14,-1.4 -0.685 82.5 126.1 -90.0 79.5 33.6 25.8 -12.1 22 29 A G E -kl 35 382C 0 -2,-1.2 361,-1.9 359,-0.6 2,-0.3 -0.910 38.4-169.1-140.9 161.5 30.4 27.8 -12.5 23 30 A T E -kl 36 383C 0 12,-1.9 14,-1.9 359,-0.3 361,-0.2 -0.919 24.4-148.1-147.2 166.8 27.0 28.2 -11.1 24 31 A N S S+ 0 0 12 359,-1.8 13,-0.2 1,-0.4 -1,-0.2 0.712 93.6 34.6 -93.1 -83.1 23.5 29.6 -11.5 25 32 A Q S S- 0 0 42 358,-0.3 -1,-0.4 1,-0.1 2,-0.1 -0.448 97.2-111.9 -67.2 134.7 22.4 30.3 -8.0 26 33 A D - 0 0 73 -2,-0.1 -1,-0.1 -3,-0.1 10,-0.0 -0.471 35.6-158.6 -60.2 142.6 25.2 31.3 -5.7 27 34 A L - 0 0 28 -2,-0.1 -1,-0.1 -3,-0.0 365,-0.1 0.385 57.6 -34.2 -95.9-125.8 25.9 28.6 -3.1 28 35 A A S S- 0 0 77 363,-0.1 -2,-0.1 1,-0.1 364,-0.0 0.861 79.0-120.7 -72.1 -29.6 27.7 29.0 0.2 29 36 A G S S+ 0 0 59 366,-0.0 3,-0.2 0, 0.0 -1,-0.1 0.321 95.7 81.7 108.8 -6.3 30.0 31.7 -1.2 30 37 A D + 0 0 67 1,-0.1 378,-0.1 2,-0.1 376,-0.1 0.070 57.3 99.3-115.9 26.9 33.3 30.0 -0.5 31 38 A E S S- 0 0 4 370,-0.0 -1,-0.1 377,-0.0 371,-0.1 0.556 82.3-134.3 -85.8 -11.2 33.4 27.7 -3.5 32 39 A N - 0 0 46 -3,-0.2 -2,-0.1 1,-0.1 2,-0.1 0.949 32.6-168.5 54.7 50.1 35.7 30.1 -5.4 33 40 A M - 0 0 17 1,-0.1 -11,-0.2 -4,-0.0 -1,-0.1 -0.368 21.9-158.2 -60.3 154.9 33.6 29.8 -8.6 34 41 A A S S+ 0 0 10 -13,-3.0 64,-2.5 -16,-0.4 2,-0.4 0.447 74.6 40.8-111.1 -8.5 35.1 31.2 -11.9 35 42 A A E -km 22 98C 0 -14,-1.4 -12,-1.9 62,-0.3 2,-0.4 -0.996 58.1-171.4-146.3 137.8 31.8 31.7 -13.7 36 43 A R E -km 23 99C 10 62,-2.5 64,-2.2 -2,-0.4 2,-0.4 -0.986 9.3-157.8-128.1 141.6 28.3 32.9 -12.8 37 44 A R E - m 0 100C 4 -14,-1.9 2,-0.7 -2,-0.4 64,-0.2 -0.955 12.0-159.1-120.9 138.4 25.1 32.8 -15.0 38 45 A L E + m 0 101C 18 62,-3.0 64,-2.0 -2,-0.4 2,-0.2 -0.910 57.6 101.1-110.0 99.9 21.9 34.9 -14.8 39 46 A G + 0 0 12 -2,-0.7 3,-0.3 62,-0.1 2,-0.1 -0.766 22.2 98.7-162.3-167.4 19.5 32.6 -16.6 40 47 A G S >> S- 0 0 4 -2,-0.2 3,-2.0 1,-0.2 4,-0.5 -0.369 88.9 -36.5 92.8-175.2 16.7 30.1 -16.4 41 48 A N H >> S+ 0 0 29 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.822 129.2 59.4 -60.0 -36.6 13.0 30.4 -16.7 42 49 A R H 34 S+ 0 0 34 -3,-0.3 12,-0.4 1,-0.2 -1,-0.3 0.712 97.1 62.6 -63.8 -21.9 12.7 33.9 -15.0 43 50 A M H X4 S+ 0 0 3 -3,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.725 84.1 74.2 -81.1 -16.5 15.0 35.5 -17.6 44 51 A T H << S+ 0 0 1 -3,-1.1 62,-0.3 -4,-0.5 63,-0.2 0.932 111.4 27.1 -59.0 -47.8 12.8 34.9 -20.6 45 52 A G T 3< S+ 0 0 0 -4,-0.5 65,-2.8 9,-0.4 2,-0.3 0.158 87.6 135.5-103.0 20.6 10.3 37.6 -19.6 46 53 A Y < - 0 0 10 -3,-0.9 2,-0.7 63,-0.2 7,-0.2 -0.533 42.2-153.7 -72.3 127.2 12.7 39.8 -17.6 47 54 A N >> - 0 0 0 5,-2.9 4,-2.0 -2,-0.3 3,-0.6 -0.914 3.1-160.4-104.0 109.6 12.2 43.5 -18.4 48 55 A W T 34 S+ 0 0 6 -2,-0.7 34,-3.5 1,-0.2 35,-0.3 0.768 84.7 65.0 -63.5 -27.7 15.5 45.4 -17.8 49 56 A E T 34 S+ 0 0 4 32,-0.2 -1,-0.2 1,-0.2 34,-0.1 0.876 125.2 9.3 -64.9 -39.3 13.7 48.8 -17.6 50 57 A N T <4 S- 0 0 41 -3,-0.6 -2,-0.2 60,-0.2 -1,-0.2 0.376 96.0-122.2-120.9 -2.1 11.7 48.0 -14.5 51 58 A N < + 0 0 0 -4,-2.0 17,-0.3 1,-0.2 16,-0.3 0.515 62.9 142.3 69.1 9.1 13.3 44.6 -13.3 52 59 A M + 0 0 23 -5,-0.4 -5,-2.9 58,-0.3 2,-0.3 -0.410 22.8 172.2 -76.2 152.4 9.9 42.8 -13.5 53 60 A S E -S 64 0D 0 11,-1.8 11,-2.6 -7,-0.2 2,-0.4 -0.957 27.4-117.3-151.3 173.0 9.8 39.2 -14.7 54 61 A N E -S 63 0D 1 -12,-0.4 -9,-0.4 -2,-0.3 9,-0.2 -0.963 3.5-153.0-125.9 130.0 7.3 36.4 -15.0 55 62 A A > - 0 0 3 7,-2.4 3,-1.4 -2,-0.4 5,-0.1 0.644 30.4-167.2 -67.8 -22.8 7.5 33.0 -13.3 56 63 A G G > > - 0 0 0 1,-0.2 5,-2.4 3,-0.2 3,-1.6 -0.299 65.8 -13.8 58.8-147.3 5.5 31.2 -16.1 57 64 A S G 3 5S+ 0 0 50 130,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.686 127.5 75.3 -64.9 -15.2 4.3 27.7 -15.2 58 65 A D G < 5S+ 0 0 99 -3,-1.4 -1,-0.3 129,-0.3 -2,-0.2 0.810 116.3 5.7 -63.0 -34.5 6.7 27.6 -12.2 59 66 A W T X 5S- 0 0 152 -3,-1.6 3,-2.2 -4,-0.1 -4,-0.3 -0.543 119.8 -59.9-156.3 90.4 4.4 30.0 -10.2 60 67 A Q T 3 5S- 0 0 112 -3,-0.4 57,-0.6 1,-0.3 -3,-0.2 0.624 84.3 -83.2 63.7 14.3 1.0 31.2 -11.3 61 68 A H T 3 > S+ 0 0 75 -2,-0.3 4,-2.1 48,-0.2 3,-1.1 0.065 72.7 127.2 -89.7 23.0 9.8 41.5 -8.4 66 73 A Y H 3> S+ 0 0 103 1,-0.3 4,-3.4 -13,-0.2 5,-0.2 0.861 70.2 54.6 -49.3 -44.4 11.2 38.1 -7.7 67 74 A L H 3> S+ 0 0 9 -3,-0.4 4,-1.7 -16,-0.3 -1,-0.3 0.835 107.4 50.7 -68.6 -27.8 14.5 38.7 -9.4 68 75 A a H <4>S+ 0 0 2 -3,-1.1 5,-2.8 -17,-0.3 4,-0.4 0.943 113.2 46.4 -66.2 -48.8 15.1 41.8 -7.3 69 76 A S H ><5S+ 0 0 75 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.936 112.7 49.6 -53.6 -52.8 14.3 39.7 -4.2 70 77 A N H 3<5S+ 0 0 92 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 111.6 48.5 -58.1 -37.4 16.6 37.0 -5.4 71 78 A G T 3<5S- 0 0 42 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.442 115.6-115.5 -82.8 -3.8 19.4 39.4 -6.1 72 79 A G T < 5 + 0 0 61 -3,-1.4 2,-0.2 -4,-0.4 -3,-0.2 0.716 58.7 159.0 77.2 24.4 19.0 41.1 -2.6 73 80 A L < - 0 0 21 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.539 38.8-122.6 -80.0 145.0 17.9 44.4 -4.0 74 81 A T > - 0 0 72 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.338 32.3-102.3 -68.7 164.0 16.0 46.9 -1.9 75 82 A Q H > S+ 0 0 172 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.891 126.3 49.3 -53.3 -40.6 12.6 48.2 -3.1 76 83 A A H >4 S+ 0 0 58 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.918 109.5 49.7 -68.7 -41.0 14.4 51.4 -4.1 77 84 A E H >4 S+ 0 0 87 1,-0.2 3,-1.8 2,-0.2 6,-0.2 0.878 102.8 62.5 -63.7 -35.6 17.2 49.5 -6.0 78 85 A a H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 96.7 60.3 -63.2 -23.7 14.5 47.5 -7.8 79 86 A E T << S+ 0 0 154 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.629 84.9 94.1 -77.5 -12.7 13.2 50.7 -9.4 80 87 A K S X S- 0 0 129 -3,-1.8 3,-2.2 -4,-0.3 4,-0.2 -0.710 87.7-105.3 -87.9 128.4 16.5 51.5 -11.1 81 88 A P T 3 S+ 0 0 34 0, 0.0 -32,-0.2 0, 0.0 -31,-0.1 -0.184 100.6 3.7 -51.9 132.7 16.8 50.3 -14.8 82 89 A G T >> S+ 0 0 0 -34,-3.5 4,-2.9 -35,-0.1 3,-0.6 0.418 87.0 135.3 79.5 1.1 19.0 47.3 -15.2 83 90 A A H <> + 0 0 9 -3,-2.2 4,-2.5 -35,-0.3 5,-0.3 0.807 66.4 54.6 -61.3 -34.5 19.6 46.9 -11.4 84 91 A V H 3> S+ 0 0 7 -4,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.951 116.6 39.3 -60.3 -42.8 19.1 43.1 -11.2 85 92 A V H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.902 117.3 47.1 -76.4 -42.7 21.7 42.7 -13.9 86 93 A T H X S+ 0 0 19 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.900 112.3 50.0 -67.5 -38.7 24.1 45.3 -12.7 87 94 A S H X S+ 0 0 41 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.931 112.7 49.1 -62.8 -40.0 23.9 44.1 -9.1 88 95 A F H X S+ 0 0 22 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.940 114.7 43.4 -60.4 -49.9 24.6 40.6 -10.5 89 96 A H H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.898 107.9 58.3 -72.1 -34.6 27.6 41.7 -12.5 90 97 A D H X S+ 0 0 72 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.886 107.3 49.8 -57.0 -40.6 29.0 43.9 -9.7 91 98 A Q H X S+ 0 0 63 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.903 108.3 51.8 -64.7 -41.0 29.1 40.7 -7.7 92 99 A S H X>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 4,-1.1 0.900 109.1 50.9 -58.8 -44.2 30.9 38.9 -10.5 93 100 A L H <5S+ 0 0 67 -4,-2.6 3,-0.5 3,-0.2 -2,-0.2 0.923 111.1 48.2 -59.5 -41.1 33.4 41.8 -10.6 94 101 A K H <5S+ 0 0 158 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 118.9 39.3 -65.8 -37.3 33.9 41.5 -6.8 95 102 A L H <5S- 0 0 78 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.468 109.6-120.4 -93.6 -7.4 34.4 37.7 -7.0 96 103 A G T <5 + 0 0 64 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.809 62.5 143.7 68.8 36.0 36.4 37.7 -10.3 97 104 A T < - 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p 0 276C 0 49,-1.6 51,-3.1 -46,-0.2 -1,-0.2 -0.442 17.6-139.5 -73.4 139.0 18.3 23.6 -25.0 227 234 A Y - 0 0 52 -2,-0.2 52,-0.3 49,-0.2 2,-0.3 0.756 64.6 -48.6 -68.4 -29.3 16.5 22.1 -22.0 228 235 A G S >> S- 0 0 8 50,-0.1 4,-1.8 1,-0.1 3,-1.5 -0.982 78.6 -47.4 169.8-177.2 17.4 18.4 -22.6 229 236 A F H 3> S+ 0 0 4 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.808 121.0 60.5 -58.8 -36.1 17.6 15.6 -25.1 230 237 A G H 3> S+ 0 0 10 1,-0.2 6,-2.0 2,-0.2 4,-1.6 0.856 110.9 43.2 -60.6 -31.8 14.1 15.9 -26.6 231 238 A A H <> S+ 0 0 0 -3,-1.5 4,-1.9 4,-0.3 -1,-0.2 0.856 111.1 53.8 -78.1 -40.1 15.1 19.4 -27.7 232 239 A Y H < S+ 0 0 0 -4,-1.8 20,-1.5 2,-0.2 19,-0.6 0.916 111.5 49.4 -54.9 -39.7 18.5 18.3 -28.9 233 240 A K H < S- 0 0 53 -4,-2.8 18,-1.7 17,-0.2 -2,-0.2 0.959 141.7 -23.0 -71.3 -54.5 16.8 15.6 -31.0 234 241 A D H X S- 0 0 35 -4,-1.6 4,-2.5 16,-0.2 -3,-0.2 0.027 91.9 -91.2-154.1 32.5 14.1 17.6 -32.9 235 242 A L T < S- 0 0 1 -4,-1.9 -4,-0.3 1,-0.2 -3,-0.1 0.907 89.4 -52.9 52.5 46.5 13.4 20.7 -30.9 236 243 A Q T 4 S- 0 0 62 -6,-2.0 -1,-0.2 1,-0.2 -5,-0.2 0.934 108.7 -49.5 54.8 51.4 10.6 18.9 -28.9 237 244 A T T 4 S- 0 0 99 -7,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.947 79.0-153.1 55.4 53.4 8.8 17.8 -32.2 238 245 A A >< - 0 0 5 -4,-2.5 3,-2.0 1,-0.1 4,-0.4 -0.268 19.9-118.9 -54.4 141.0 8.9 21.3 -33.7 239 246 A P T 3 S+ 0 0 102 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.798 112.8 42.1 -58.9 -30.4 6.0 21.7 -36.1 240 247 A D T 3> S+ 0 0 36 1,-0.2 4,-1.3 2,-0.1 3,-0.3 0.327 82.7 105.2 -93.5 6.2 8.4 22.4 -39.0 241 248 A W H X> S+ 0 0 19 -3,-2.0 4,-2.3 1,-0.2 3,-0.7 0.910 78.6 50.6 -58.5 -47.2 11.0 19.7 -38.2 242 249 A D H 34 S+ 0 0 122 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.885 111.2 51.0 -58.5 -35.3 10.0 17.2 -40.9 243 250 A S H 34 S+ 0 0 101 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.723 122.0 29.0 -72.9 -25.9 10.2 20.0 -43.5 244 251 A V H << S+ 0 0 31 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.588 92.2 90.4-111.3 -10.9 13.7 21.2 -42.5 245 252 A K >< + 0 0 80 -4,-2.3 3,-3.2 -5,-0.2 -3,-0.1 0.754 51.7 159.5 -65.8 -25.5 15.4 18.1 -41.2 246 253 A G T 3 S- 0 0 60 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 -0.119 77.3 -23.7 42.3-122.3 16.8 17.1 -44.6 247 254 A N T 3 S+ 0 0 164 -3,-0.1 2,-0.3 3,-0.0 -1,-0.3 -0.097 101.6 131.0-106.6 30.3 19.8 14.8 -43.9 248 255 A Y < - 0 0 48 -3,-3.2 3,-0.1 1,-0.1 4,-0.0 -0.666 54.2-144.8 -86.3 142.3 20.5 16.1 -40.4 249 256 A S S S- 0 0 64 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.740 78.6 -17.2 -72.2 -30.5 20.9 13.5 -37.6 250 257 A W S >> S- 0 0 0 -5,-0.1 4,-1.3 1,-0.1 3,-0.9 -0.962 75.3 -88.2-166.4 168.5 19.3 15.8 -35.0 251 258 A F H 3> S+ 0 0 0 -18,-1.7 4,-3.0 -19,-0.6 5,-0.3 0.813 116.9 70.2 -58.5 -33.8 18.3 19.5 -34.4 252 259 A V H 3> S+ 0 0 0 -20,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.926 103.3 43.9 -47.1 -48.1 21.7 20.1 -32.9 253 260 A D H <> S+ 0 0 3 -3,-0.9 4,-2.8 1,-0.2 5,-0.3 0.903 111.2 52.4 -68.2 -42.3 23.2 19.8 -36.4 254 261 A Y H X S+ 0 0 11 -4,-1.3 4,-2.7 1,-0.2 5,-0.2 0.922 112.2 46.4 -58.0 -48.4 20.5 21.9 -38.1 255 262 A Y H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.938 113.2 48.0 -61.6 -47.3 21.0 24.7 -35.7 256 263 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.945 115.6 44.1 -60.5 -46.3 24.8 24.7 -36.0 257 264 A D H X S+ 0 0 36 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.908 114.9 48.3 -67.6 -41.3 24.7 24.6 -39.8 258 265 A Q H X S+ 0 0 50 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.894 112.2 48.5 -69.9 -35.7 22.0 27.3 -40.0 259 266 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 11,-0.3 0.901 111.8 50.7 -68.9 -36.6 23.9 29.6 -37.6 260 267 A R H X S+ 0 0 94 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.949 112.7 46.5 -62.3 -47.3 27.1 29.0 -39.6 261 268 A L H X S+ 0 0 70 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.921 112.6 48.5 -60.1 -48.3 25.2 29.9 -42.8 262 269 A S H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.882 108.9 54.4 -62.3 -34.4 23.6 33.0 -41.3 263 270 A S H X>S+ 0 0 6 -4,-2.2 4,-1.6 1,-0.2 5,-1.5 0.899 106.6 52.4 -67.1 -36.6 27.0 34.1 -40.0 264 271 A Q H <5S+ 0 0 125 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.908 110.3 46.6 -58.6 -50.3 28.5 33.8 -43.5 265 272 A V H <5S+ 0 0 130 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 116.2 45.1 -62.9 -40.8 25.8 36.0 -45.0 266 273 A E H <5S- 0 0 68 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.652 105.6-127.9 -78.2 -19.7 26.2 38.5 -42.2 267 274 A G T <5S+ 0 0 68 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.697 78.3 79.2 78.2 18.6 30.0 38.5 -42.3 268 275 A K S S+W 287 0F 8 3,-2.1 3,-1.9 -2,-0.3 14,-0.3 -0.952 72.1 2.8-152.6 141.3 18.0 3.8 -9.9 285 292 A G T 3 S- 0 0 39 -2,-0.3 13,-0.1 1,-0.3 10,-0.1 0.795 131.0 -57.9 56.5 29.0 15.7 2.0 -7.4 286 293 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 11,-0.1 -1,-0.3 0.543 116.8 107.0 83.6 11.3 12.7 3.3 -9.4 287 294 A I E < S-W 284 0F 30 -3,-1.9 -3,-2.1 6,-0.1 2,-0.3 -0.954 71.2-122.9-132.8 134.9 13.7 6.9 -9.0 288 295 A R E >> -W 283 0F 57 -2,-0.4 3,-2.3 -5,-0.2 4,-0.9 -0.615 28.9-130.2 -73.6 131.8 15.1 9.6 -11.3 289 296 A I T 34 S+ 0 0 0 -7,-2.7 67,-0.4 -2,-0.3 -1,-0.1 0.738 104.9 53.0 -59.9 -24.5 18.4 10.8 -9.7 290 297 A T T 34 S+ 0 0 13 -10,-0.5 -1,-0.3 -8,-0.3 65,-0.2 0.581 100.6 63.7 -84.2 -8.7 17.4 14.5 -10.1 291 298 A N T <4 S- 0 0 114 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.897 117.3 -24.1 -85.9 -42.7 14.0 14.0 -8.3 292 299 A E < - 0 0 113 -4,-0.9 -1,-0.3 1,-0.1 -5,-0.0 -0.968 67.7 -93.7-164.4 163.4 15.0 13.0 -4.8 293 300 A V - 0 0 61 -2,-0.3 9,-0.1 1,-0.1 -1,-0.1 0.912 64.6-175.4 -56.1 -41.9 17.9 11.4 -3.0 294 301 A G - 0 0 18 4,-0.1 -1,-0.1 -3,-0.1 -9,-0.1 -0.303 25.9 -52.6 82.3-166.6 16.2 8.0 -3.3 295 302 A N S > S- 0 0 68 -11,-0.3 4,-2.5 -10,-0.1 5,-0.2 -0.151 70.7 -71.9-100.2-167.8 17.3 4.6 -1.9 296 303 A D H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.883 134.0 48.6 -58.1 -37.7 20.6 2.7 -2.2 297 304 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -12,-0.2 0.876 110.3 51.0 -74.1 -31.4 20.1 1.9 -5.8 298 305 A T H > S+ 0 0 0 -14,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.911 111.7 48.7 -66.4 -42.7 19.2 5.5 -6.6 299 306 A K H X S+ 0 0 47 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.907 111.7 48.3 -66.0 -43.4 22.4 6.6 -4.8 300 307 A K H X S+ 0 0 77 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.911 112.3 48.9 -60.1 -43.0 24.5 4.1 -6.7 301 308 A A H X S+ 0 0 14 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.892 106.8 57.0 -67.1 -33.7 22.9 5.2 -10.0 302 309 A R H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.927 108.4 46.3 -63.2 -41.6 23.6 8.8 -9.1 303 310 A M H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.760 116.0 44.5 -74.9 -24.2 27.3 8.1 -8.7 304 311 A Q H >< S+ 0 0 27 -4,-1.4 3,-2.7 -3,-0.2 4,-0.3 0.755 92.7 84.2 -84.0 -28.3 27.6 6.1 -12.0 305 312 A A G >< S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.3 4,-0.4 0.742 74.1 69.7 -50.9 -34.0 25.5 8.6 -14.0 306 313 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.772 84.7 72.9 -56.8 -22.1 28.5 10.9 -14.8 307 314 A R G X> S+ 0 0 21 -3,-2.7 4,-2.9 1,-0.3 3,-0.9 0.775 81.7 70.1 -63.9 -22.7 29.7 8.0 -17.1 308 315 A T G <4 S+ 0 0 2 -3,-2.0 22,-2.2 -4,-0.3 -1,-0.3 0.766 92.4 60.9 -63.7 -21.1 26.9 9.0 -19.6 309 316 A L G <4 S- 0 0 0 -3,-1.6 22,-1.9 -4,-0.4 -1,-0.3 0.830 130.4 -6.5 -69.0 -36.1 28.9 12.1 -20.2 310 317 A W T <4 S+ 0 0 82 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.584 99.5 98.5-134.5 -28.1 32.1 10.3 -21.5 311 318 A D >< - 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