==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAR-07 2EO7 . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR Y.KITAO,S.KARITA,N.WATANABE,K.SAKKA,I.TANAKA . 509 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 68.6 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 . 64 12.6 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 . 4 0.8 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 . 40 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 21.4 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 2 2 1 0 0 1 0 1 3 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 3 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 PARALLEL BRIDGES PER LADDER . 0 4 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 0 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 7 A A 0 0 122 0, 0.0 2,-0.6 0, 0.0 452,-0.1 0.000 360.0 360.0 360.0 123.5 6.1 69.7 41.5 2 8 A K E -a 453 0A 67 450,-0.5 452,-3.0 2,-0.0 2,-0.4 -0.780 360.0-173.3 -89.6 121.1 5.9 66.0 40.6 3 9 A V E -a 454 0A 73 -2,-0.6 2,-0.4 450,-0.2 452,-0.2 -0.970 4.4-178.6-121.1 128.1 7.6 63.9 43.3 4 10 A V E -a 455 0A 0 450,-3.1 452,-2.5 -2,-0.4 2,-0.4 -0.976 18.0-140.6-129.1 136.1 8.1 60.1 42.9 5 11 A D E -a 456 0A 55 -2,-0.4 416,-1.7 450,-0.2 2,-0.5 -0.804 12.4-164.6 -97.6 135.1 9.7 57.6 45.3 6 12 A I E -aB 457 420A 0 450,-2.7 452,-2.2 -2,-0.4 2,-0.5 -0.979 5.1-168.4-118.5 125.4 11.8 54.8 44.0 7 13 A R E -aB 458 419A 137 412,-2.7 412,-2.7 -2,-0.5 2,-0.4 -0.961 5.9-178.4-119.6 122.5 12.6 51.9 46.3 8 14 A I E -aB 459 418A 5 450,-2.4 452,-2.7 -2,-0.5 2,-0.4 -0.934 13.4-172.4-120.5 141.2 15.3 49.4 45.5 9 15 A D E > -aB 460 417A 46 408,-2.1 3,-1.4 -2,-0.4 408,-0.9 -0.909 6.8-165.5-132.3 103.2 16.4 46.3 47.4 10 16 A T T 3 S+ 0 0 0 450,-2.5 451,-0.1 -2,-0.4 -1,-0.1 0.612 88.6 53.1 -66.0 -12.9 19.4 44.6 45.9 11 17 A S T 3 S+ 0 0 78 449,-0.4 3,-0.4 406,-0.1 2,-0.3 0.539 97.5 86.0 -97.7 -9.1 19.0 41.4 47.9 12 18 A A S < S- 0 0 23 -3,-1.4 405,-2.2 1,-0.2 -3,-0.2 -0.716 94.0 -3.6-102.7 146.8 15.4 40.9 46.8 13 19 A E S S- 0 0 101 -2,-0.3 2,-0.2 403,-0.2 -1,-0.2 0.796 75.8-176.6 52.4 36.4 13.7 39.3 43.9 14 20 A R + 0 0 87 -3,-0.4 402,-0.2 402,-0.1 -1,-0.2 -0.441 11.0 159.2 -66.1 129.9 17.0 38.5 42.2 15 21 A K E -D 415 0B 74 400,-1.7 400,-3.0 -2,-0.2 2,-0.1 -0.986 42.0-104.1-152.1 142.4 16.5 36.9 38.8 16 22 A P E -D 414 0B 108 0, 0.0 2,-0.6 0, 0.0 398,-0.3 -0.409 24.9-140.5 -69.8 141.6 18.7 36.6 35.8 17 23 A I - 0 0 10 396,-3.2 359,-0.1 -2,-0.1 360,-0.1 -0.913 26.8-119.7-100.0 121.2 18.0 38.8 32.8 18 24 A S > - 0 0 22 -2,-0.6 3,-1.3 362,-0.5 4,-0.1 -0.416 14.3-139.4 -61.8 131.5 18.5 36.8 29.6 19 25 A P T > S+ 0 0 64 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.708 93.3 69.0 -66.6 -14.6 21.2 38.5 27.6 20 26 A Y E 3 +j 382 0C 41 361,-0.5 363,-1.8 1,-0.2 3,-0.5 0.368 68.9 89.7 -89.1 7.3 19.3 37.9 24.3 21 27 A I E < S+ 0 0 0 -3,-1.3 2,-0.2 361,-0.3 -1,-0.2 0.633 75.6 71.0 -77.2 -9.1 16.4 40.3 24.9 22 28 A Y E < S+ 0 0 17 -3,-0.7 11,-1.8 -4,-0.1 12,-0.4 -0.206 77.8 123.9-100.8 45.0 18.3 43.1 23.2 23 29 A G E -j 384 0C 0 360,-1.9 362,-2.2 -3,-0.5 2,-0.3 -0.351 40.8-156.2-102.0 179.8 18.2 41.9 19.6 24 30 A S E -jk 385 35C 1 10,-2.2 12,-1.7 360,-0.3 362,-0.2 -0.958 21.3-146.1-147.5 164.0 17.1 43.0 16.2 25 31 A N S S+ 0 0 9 360,-2.1 361,-0.1 -2,-0.3 13,-0.1 0.753 87.7 49.5 -96.9 -39.9 16.0 41.6 12.8 26 32 A Q S S- 0 0 47 359,-0.5 2,-0.8 361,-0.4 10,-0.1 -0.409 101.4 -87.3 -96.5 172.9 17.5 44.4 10.7 27 33 A E - 0 0 107 -2,-0.1 362,-0.4 2,-0.0 2,-0.2 -0.741 58.0-172.4 -84.6 110.3 21.0 46.0 10.7 28 34 A L - 0 0 25 -2,-0.8 2,-1.3 2,-0.2 4,-0.1 -0.641 39.7-119.0-106.5 162.7 20.8 48.7 13.3 29 35 A D S S+ 0 0 106 -2,-0.2 2,-0.3 360,-0.1 -2,-0.0 -0.568 90.9 83.4 -91.9 63.2 22.9 51.6 14.6 30 36 A A S S- 0 0 18 -2,-1.3 2,-0.6 368,-0.1 -2,-0.2 -0.975 89.1-102.2-161.3 154.9 22.9 49.9 18.0 31 37 A T - 0 0 56 -2,-0.3 2,-0.3 364,-0.2 371,-0.2 -0.776 47.7-172.1 -83.9 120.1 24.8 47.2 19.8 32 38 A V - 0 0 17 -2,-0.6 -9,-0.3 62,-0.1 3,-0.1 -0.811 27.0-154.5-116.2 159.5 22.5 44.2 19.8 33 39 A T S S+ 0 0 25 -11,-1.8 65,-0.6 -2,-0.3 2,-0.3 0.373 78.6 32.4-113.4 3.0 22.7 40.8 21.5 34 40 A A E - l 0 98C 0 -12,-0.4 -10,-2.2 63,-0.1 2,-0.4 -0.970 61.1-157.4-156.6 144.3 20.7 38.6 19.2 35 41 A K E -kl 24 99C 16 63,-2.3 65,-2.9 -2,-0.3 2,-0.5 -0.997 7.6-160.7-128.8 128.5 20.0 38.6 15.4 36 42 A R E - l 0 100C 2 -12,-1.7 2,-0.8 -2,-0.4 65,-0.2 -0.936 10.5-158.3-112.8 130.7 17.0 37.0 13.8 37 43 A F E + l 0 101C 12 63,-2.9 65,-1.8 -2,-0.5 2,-0.3 -0.920 57.3 104.0-100.8 101.0 16.9 36.0 10.1 38 44 A G + 0 0 13 -2,-0.8 3,-0.3 63,-0.1 2,-0.1 -0.864 21.6 96.2-160.8-166.9 13.1 35.9 9.7 39 45 A G S > S- 0 0 1 -2,-0.3 3,-1.9 1,-0.2 4,-0.5 -0.367 87.8 -38.8 98.3 178.5 10.0 37.6 8.4 40 46 A N G > S+ 0 0 35 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.809 128.9 58.3 -50.5 -42.9 8.0 37.2 5.3 41 47 A R G 3 S+ 0 0 34 -3,-0.3 12,-0.4 1,-0.2 -1,-0.3 0.681 97.3 63.6 -64.8 -18.5 10.9 36.7 2.9 42 48 A T G X S+ 0 0 1 -3,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.682 82.9 75.4 -83.7 -14.3 12.2 33.7 4.8 43 49 A T T < S+ 0 0 1 -3,-1.2 64,-0.3 -4,-0.5 63,-0.2 0.901 108.5 29.5 -62.5 -42.9 9.2 31.4 4.2 44 50 A G T 3 S+ 0 0 0 -4,-0.4 66,-2.4 9,-0.4 2,-0.3 0.154 87.4 135.4-102.7 16.5 10.1 30.7 0.6 45 51 A Y < - 0 0 0 -3,-0.8 2,-0.7 64,-0.2 7,-0.2 -0.517 43.3-152.5 -68.7 129.0 13.9 31.0 1.0 46 52 A N >> - 0 0 0 5,-2.8 4,-2.5 -2,-0.3 3,-1.0 -0.901 5.2-163.3-106.2 105.8 15.7 28.1 -0.8 47 53 A W T 34 S+ 0 0 0 -2,-0.7 34,-3.0 1,-0.2 35,-0.2 0.747 84.8 67.1 -60.8 -23.6 19.1 27.5 0.9 48 54 A E T 34 S+ 0 0 4 32,-0.2 -1,-0.2 1,-0.2 97,-0.1 0.850 126.2 4.0 -67.3 -34.0 20.3 25.6 -2.1 49 55 A N T <4 S- 0 0 27 -3,-1.0 -2,-0.2 61,-0.2 -1,-0.2 0.361 94.2-119.8-133.4 2.3 20.3 28.6 -4.4 50 56 A N < + 0 0 0 -4,-2.5 17,-0.3 1,-0.2 16,-0.2 0.500 63.6 139.1 70.2 7.8 19.4 31.6 -2.2 51 57 A F + 0 0 52 -5,-0.4 -5,-2.8 59,-0.3 2,-0.3 -0.444 25.5 175.6 -78.5 158.2 16.3 32.6 -4.1 52 58 A S E -R 63 0D 0 11,-1.5 11,-2.3 -7,-0.2 2,-0.4 -0.951 25.3-116.9-154.5 168.8 13.2 33.6 -2.2 53 59 A N E -R 62 0D 1 -12,-0.4 -9,-0.4 -2,-0.3 9,-0.2 -0.956 3.7-150.1-121.7 134.4 9.7 34.9 -2.8 54 60 A A > - 0 0 3 7,-2.5 3,-1.6 -2,-0.4 5,-0.1 0.689 31.1-167.6 -70.3 -20.6 8.2 38.3 -1.8 55 61 A G G > > - 0 0 0 1,-0.3 5,-2.5 6,-0.2 3,-1.8 -0.305 65.9 -18.0 62.8-151.1 4.7 36.9 -1.5 56 62 A S G 3 5S+ 0 0 57 131,-2.8 3,-0.4 1,-0.3 -1,-0.3 0.599 127.3 78.2 -64.3 -10.2 2.0 39.6 -1.2 57 63 A D G < 5S+ 0 0 100 -3,-1.6 -1,-0.3 130,-0.3 -2,-0.2 0.803 116.5 6.0 -70.1 -28.3 4.7 42.1 -0.2 58 64 A W T X 5S- 0 0 160 -3,-1.8 3,-1.8 -4,-0.1 -4,-0.3 -0.361 116.6 -70.1-159.3 77.3 5.7 42.4 -3.9 59 65 A L T 3 5S- 0 0 108 -3,-0.4 58,-0.3 1,-0.3 -3,-0.2 0.691 85.1 -76.7 50.4 27.9 3.7 40.7 -6.6 60 66 A H T 3 > S+ 0 0 29 -2,-0.2 4,-2.2 49,-0.2 3,-1.1 0.144 74.3 126.5 -99.8 19.3 17.7 37.6 -5.4 65 71 A Y H 3> S+ 0 0 98 1,-0.3 4,-3.4 -13,-0.2 5,-0.3 0.850 71.4 50.0 -44.9 -50.1 16.3 40.1 -2.9 66 72 A L H 3> S+ 0 0 17 -3,-0.3 4,-1.6 -16,-0.2 -1,-0.3 0.821 109.8 51.4 -64.9 -29.4 17.8 38.4 0.2 67 73 A L H <4>S+ 0 0 2 -3,-1.1 5,-2.5 -17,-0.3 4,-0.4 0.928 116.5 41.2 -70.0 -44.5 21.2 38.2 -1.4 68 74 A E H ><5S+ 0 0 122 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.960 118.5 43.6 -66.8 -52.3 21.1 41.9 -2.3 69 75 A D H 3<5S+ 0 0 100 -4,-3.4 -1,-0.2 1,-0.3 -3,-0.2 0.807 112.5 53.9 -65.6 -30.2 19.6 43.1 1.0 70 76 A G T 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.550 110.1-121.9 -81.4 -7.5 21.9 40.9 3.0 71 77 A G T < 5 + 0 0 46 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.828 45.7 175.2 71.8 32.1 24.9 42.3 1.3 72 78 A V < - 0 0 8 -5,-2.5 -1,-0.2 -6,-0.2 5,-0.1 -0.547 37.8-107.7 -74.3 131.6 26.1 38.9 0.1 73 79 A P > - 0 0 76 0, 0.0 3,-2.9 0, 0.0 4,-0.5 -0.361 24.8-123.4 -59.5 133.3 29.2 39.2 -2.1 74 80 A K G > S+ 0 0 156 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.803 109.5 61.9 -46.5 -37.8 28.3 38.5 -5.8 75 81 A G G 3 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.565 105.5 47.0 -70.1 -7.1 30.8 35.7 -6.0 76 82 A E G X S+ 0 0 92 -3,-2.9 3,-1.9 1,-0.1 6,-0.3 0.387 78.7 102.7-112.0 -0.7 28.9 33.8 -3.3 77 83 A W T < S+ 0 0 48 -3,-1.2 -2,-0.1 -4,-0.5 6,-0.1 0.801 87.6 42.8 -53.3 -32.3 25.4 34.2 -4.7 78 84 A S T 3 S+ 0 0 103 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.453 90.9 106.1 -94.7 -0.8 25.5 30.6 -6.0 79 85 A T S X S- 0 0 40 -3,-1.9 3,-1.9 1,-0.1 4,-0.2 -0.655 84.4-101.1 -81.1 130.2 27.0 29.2 -2.9 80 86 A P T 3 S- 0 0 24 0, 0.0 -32,-0.2 0, 0.0 -33,-0.1 -0.194 99.9 -1.0 -52.3 135.4 24.5 27.2 -0.7 81 87 A A T 3> S+ 0 0 0 -34,-3.0 4,-3.1 -35,-0.2 5,-0.3 0.595 81.7 142.3 60.0 18.3 23.2 29.2 2.3 82 88 A S H <> + 0 0 1 -3,-1.9 4,-2.2 -6,-0.3 5,-0.3 0.827 69.9 58.0 -58.9 -30.5 25.3 32.3 1.5 83 89 A V H > S+ 0 0 6 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.953 114.3 37.6 -62.7 -45.3 22.4 34.5 2.6 84 90 A V H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.859 116.2 49.4 -76.0 -37.7 22.5 32.7 6.0 85 91 A T H X S+ 0 0 14 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.882 112.0 50.0 -71.5 -32.8 26.2 32.4 6.4 86 92 A T H X S+ 0 0 18 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.943 112.0 49.6 -65.1 -44.3 26.7 36.0 5.5 87 93 A F H X S+ 0 0 29 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.931 116.3 40.0 -58.2 -50.2 24.0 36.9 8.1 88 94 A H H X S+ 0 0 3 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.867 112.1 56.3 -71.0 -37.0 25.6 34.8 10.8 89 95 A D H X S+ 0 0 72 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.936 108.8 48.3 -59.0 -44.8 29.2 35.8 9.9 90 96 A K H X S+ 0 0 68 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.912 111.1 49.8 -61.2 -43.6 28.1 39.5 10.3 91 97 A A H ><>S+ 0 0 2 -4,-1.9 5,-2.6 1,-0.2 3,-0.8 0.936 111.9 48.4 -61.2 -45.7 26.5 38.7 13.7 92 98 A L H ><5S+ 0 0 56 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.897 108.1 54.5 -61.2 -40.1 29.7 36.9 14.8 93 99 A S H 3<5S+ 0 0 93 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.690 108.0 50.5 -67.9 -18.6 31.8 39.8 13.6 94 100 A K T <<5S- 0 0 153 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.215 118.4-111.8-102.2 12.3 29.7 42.2 15.8 95 101 A N T < 5 + 0 0 148 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.846 59.1 162.9 61.1 36.3 30.1 39.9 18.9 96 102 A V < - 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o 0 276C 1 49,-1.1 51,-3.0 -46,-0.2 -1,-0.2 -0.385 18.0-136.9 -68.7 137.2 2.5 34.0 15.5 227 233 A Y - 0 0 60 49,-0.2 52,-0.3 1,-0.1 2,-0.3 0.773 66.1 -40.7 -67.2 -31.5 1.8 37.4 13.9 228 234 A G S >> S- 0 0 10 50,-0.1 4,-1.8 1,-0.1 3,-1.5 -0.985 79.1 -52.1-179.3-176.3 -0.5 38.8 16.6 229 235 A F H 3> S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.3 6,-0.2 0.789 120.4 58.0 -50.2 -43.1 -3.3 38.3 19.0 230 236 A A H 3> S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 6,-1.6 0.844 110.6 46.3 -60.0 -31.2 -5.9 36.8 16.7 231 237 A A H <> S+ 0 0 0 -3,-1.5 4,-1.6 4,-0.3 -1,-0.2 0.871 109.3 54.4 -77.0 -36.5 -3.3 34.0 15.9 232 238 A Y H < S+ 0 0 0 -4,-1.8 20,-1.5 2,-0.2 19,-0.5 0.899 116.5 39.5 -60.2 -40.1 -2.6 33.6 19.6 233 239 A E H < S- 0 0 41 -4,-2.5 18,-1.7 17,-0.2 -2,-0.2 0.957 142.4 -7.8 -79.2 -50.0 -6.3 33.1 20.3 234 240 A T H X S- 0 0 32 -4,-2.3 4,-2.4 -5,-0.2 -3,-0.2 0.179 90.4-104.1-134.8 17.0 -7.6 30.9 17.4 235 241 A L T < S- 0 0 2 -4,-1.6 -4,-0.3 -5,-0.3 -3,-0.1 0.931 88.2 -52.0 53.8 44.3 -4.7 30.7 14.9 236 242 A Q T 4 S- 0 0 77 -6,-1.6 -1,-0.2 1,-0.2 -5,-0.1 0.938 107.7 -49.2 56.7 53.8 -6.7 33.2 12.8 237 243 A S T 4 S- 0 0 96 -7,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.914 80.4-150.9 55.0 48.3 -10.0 31.2 12.9 238 244 A A >< - 0 0 7 -4,-2.4 3,-2.2 1,-0.1 4,-0.4 -0.172 18.8-117.3 -50.9 137.2 -8.2 28.0 11.8 239 245 A P T 3 S+ 0 0 87 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.761 113.1 37.0 -48.7 -31.8 -10.6 25.7 9.9 240 246 A D T >> S+ 0 0 12 1,-0.1 4,-2.8 2,-0.1 3,-1.1 0.292 83.5 103.4-106.9 10.0 -10.3 23.0 12.5 241 247 A W H <> S+ 0 0 38 -3,-2.2 4,-1.9 1,-0.3 -1,-0.1 0.813 71.8 67.1 -63.7 -27.4 -10.1 25.1 15.7 242 248 A G H 34 S+ 0 0 74 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.840 117.0 24.8 -60.8 -32.6 -13.7 24.3 16.5 243 249 A T H X4 S+ 0 0 97 -3,-1.1 3,-1.4 2,-0.1 -2,-0.2 0.875 125.6 45.8 -96.2 -53.4 -12.7 20.7 17.1 244 250 A E H 3< S+ 0 0 52 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.857 111.6 54.4 -60.1 -35.9 -9.0 20.9 18.0 245 251 A G T >< S+ 0 0 9 -4,-1.9 3,-2.6 -5,-0.4 -1,-0.3 0.452 72.3 131.7 -81.2 -0.1 -9.6 23.8 20.4 246 252 A E T < S+ 0 0 165 -3,-1.4 3,-0.1 1,-0.3 -3,-0.1 -0.328 81.4 10.5 -57.1 122.9 -12.3 22.1 22.5 247 253 A G T 3 S+ 0 0 77 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.387 104.0 111.1 90.7 -3.4 -11.3 22.6 26.1 248 254 A Y < - 0 0 41 -3,-2.6 -1,-0.3 1,-0.1 3,-0.1 -0.886 61.5-146.1-109.1 137.1 -8.5 25.1 25.5 249 255 A R S S- 0 0 80 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.837 82.1 -15.3 -66.2 -36.4 -8.7 28.8 26.4 250 256 A W S >> S- 0 0 0 -3,-0.1 4,-1.3 1,-0.1 3,-0.8 -0.970 73.8 -93.3-160.5 168.3 -6.7 29.8 23.4 251 257 A F H 3> S+ 0 0 0 -18,-1.7 4,-3.1 -19,-0.5 5,-0.2 0.820 116.7 68.1 -58.5 -33.4 -4.4 28.4 20.7 252 258 A I H 3> S+ 0 0 1 -20,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.921 102.5 46.2 -51.7 -46.9 -1.4 29.2 22.8 253 259 A D H <> S+ 0 0 5 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.881 112.0 49.9 -64.2 -41.1 -2.5 26.5 25.3 254 260 A Y H X S+ 0 0 5 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.920 111.4 49.5 -62.9 -45.4 -3.2 23.9 22.5 255 261 A Y H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.946 114.2 44.0 -60.6 -49.4 0.2 24.6 20.9 256 262 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.954 115.8 47.8 -61.1 -49.3 2.1 24.2 24.2 257 263 A D H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.903 114.5 45.0 -59.7 -44.5 0.1 21.1 25.2 258 264 A K H X S+ 0 0 55 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.852 113.6 49.0 -71.4 -34.6 0.5 19.3 21.9 259 265 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 11,-0.3 0.885 112.4 49.7 -70.9 -35.8 4.2 20.1 21.6 260 266 A K H X S+ 0 0 61 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.931 111.1 49.4 -65.0 -45.6 4.6 18.8 25.2 261 267 A K H X S+ 0 0 75 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.908 112.1 47.1 -61.4 -41.3 2.7 15.7 24.3 262 268 A A H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.877 112.5 50.4 -67.2 -38.1 4.8 15.1 21.2 263 269 A S H X>S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 5,-1.2 0.891 109.0 51.5 -67.0 -40.0 8.0 15.7 23.3 264 270 A D H <5S+ 0 0 98 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.879 113.3 45.2 -64.7 -36.8 6.8 13.2 25.9 265 271 A E H <5S+ 0 0 165 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.897 116.0 46.1 -73.3 -38.7 6.2 10.6 23.2 266 272 A E H <5S- 0 0 85 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.823 107.9-122.1 -73.3 -34.3 9.5 11.3 21.5 267 273 A G T <5S+ 0 0 69 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.573 80.4 64.1 101.2 9.9 11.6 11.3 24.7 268 274 A K S +V 287 0F 9 3,-2.3 3,-1.4 -2,-0.3 16,-0.3 -0.952 69.2 15.8-161.9 144.1 -4.0 57.4 20.9 285 291 A G T 3 S- 0 0 26 -2,-0.3 15,-0.2 14,-0.3 3,-0.1 0.831 133.0 -58.2 58.2 29.5 -5.1 60.6 19.2 286 292 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 13,-0.1 -1,-0.3 0.622 118.7 83.9 77.5 15.7 -7.1 58.5 16.8 287 293 A E E < S-V 284 0F 39 -3,-1.4 -3,-2.3 7,-0.0 -1,-0.2 -0.990 82.2 -97.8-148.5 156.0 -4.3 56.3 15.5 288 294 A R E -V 283 0F 64 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.417 36.4-124.2 -67.7 146.2 -2.4 53.1 16.3 289 295 A I S S+ 0 0 0 -7,-2.5 2,-0.3 4,-0.1 69,-0.2 0.655 92.6 41.9 -70.4 -13.7 1.0 53.9 17.9 290 296 A C S S+ 0 0 0 -10,-0.3 -2,-0.1 -8,-0.3 66,-0.1 -0.831 93.1 46.3-126.1 167.8 2.9 52.0 15.3 291 297 A F S S- 0 0 115 -2,-0.3 -3,-0.2 1,-0.1 -1,-0.2 0.988 128.8 -7.9 64.6 84.8 2.6 51.7 11.5 292 298 A G S S+ 0 0 79 1,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.659 88.7 163.4 77.1 16.2 2.2 55.1 10.0 293 299 A A - 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0 0 6 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.1 -0.682 44.3-164.1 -86.8 111.1 0.2 45.8 34.4 314 320 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.750 91.0 55.5 -61.3 -23.7 -3.1 44.3 35.5 315 321 A T T 3 S+ 0 0 102 -6,-0.1 2,-0.5 2,-0.0 -5,-0.1 0.561 88.4 92.4 -88.1 -8.1 -4.5 47.8 36.0 316 322 A Y < - 0 0 42 -3,-1.4 2,-0.6 -7,-0.3 -3,-0.0 -0.780 46.9-178.5 -98.3 125.8 -3.8 49.1 32.5 317 323 A I - 0 0 82 -2,-0.5 6,-0.0 14,-0.0 -7,-0.0 -0.946 16.5-153.6-121.2 107.4 -6.4 49.0 29.8 318 324 A E - 0 0 8 -2,-0.6 2,-1.1 -11,-0.1 -36,-0.0 -0.263 27.2-102.7 -75.3 166.2 -5.3 50.4 26.4 319 325 A D S S+ 0 0 101 -36,-0.4 -36,-1.7 4,-0.1 2,-0.3 -0.785 81.7 95.7 -92.1 94.9 -7.5 51.8 23.7 320 326 A S S > S- 0 0 7 -2,-1.1 4,-2.2 -38,-0.2 5,-0.2 -0.957 89.0 -94.2-167.4 169.5 -7.6 49.0 21.2 321 327 A W H > S+ 0 0 83 -2,-0.3 4,-2.7 1,-0.2 5,-0.4 0.810 125.9 52.4 -65.5 -27.8 -9.8 46.0 20.3 322 328 A I H > S+ 0 0 4 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.934 109.7 46.3 -73.3 -44.5 -7.6 43.8 22.5 323 329 A G H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.861 119.9 42.9 -65.2 -32.5 -8.0 46.1 25.5 324 330 A Q H < S+ 0 0 118 -4,-2.2 3,-0.2 2,-0.1 -2,-0.2 0.942 129.9 18.2 -79.4 -48.8 -11.7 46.3 24.9 325 331 A W H < S+ 0 0 182 -4,-2.7 3,-0.2 -5,-0.2 -3,-0.2 0.613 122.2 51.7-101.4 -15.0 -12.6 42.7 24.1 326 332 A K >< + 0 0 43 -4,-2.1 3,-2.2 -5,-0.4 -1,-0.2 -0.068 56.1 130.6-117.9 38.2 -9.7 40.6 25.3 327 333 A K G > + 0 0 107 1,-0.3 3,-1.7 -3,-0.2 -1,-0.2 0.792 68.6 69.4 -58.1 -28.0 -9.2 41.7 29.0 328 334 A D G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.675 102.5 45.8 -63.8 -17.2 -9.2 38.0 30.0 329 335 A F G < S+ 0 0 12 -3,-2.2 -1,-0.3 -7,-0.2 6,-0.2 0.222 96.4 135.6-111.4 13.0 -5.9 37.7 28.2 330 336 A L < + 0 0 25 -3,-1.7 2,-0.1 -4,-0.1 -19,-0.1 -0.873 46.5 43.9-118.1 149.9 -4.2 40.8 29.6 331 337 A P S > S- 0 0 14 0, 0.0 4,-1.5 0, 0.0 -20,-0.2 0.562 83.9-150.4 -67.6 149.3 -1.6 41.7 30.7 332 338 A I H > S+ 0 0 1 -22,-2.0 4,-2.4 1,-0.2 5,-0.2 0.876 83.1 50.8 -68.7 -40.4 -0.1 39.7 27.9 333 339 A L H > S+ 0 0 1 -22,-1.8 4,-3.0 1,-0.2 5,-0.3 0.951 111.3 48.5 -65.8 -45.4 3.3 38.5 29.2 334 340 A P H > S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.889 112.0 51.2 -60.6 -34.9 1.8 37.1 32.5 335 341 A N H X S+ 0 0 21 -4,-1.5 4,-2.0 -6,-0.2 -2,-0.2 0.911 112.0 45.1 -68.0 -40.3 -0.8 35.3 30.4 336 342 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.926 116.1 46.8 -67.5 -41.6 1.7 33.8 28.1 337 343 A L H X S+ 0 0 53 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.887 109.8 53.8 -67.5 -37.0 3.9 32.8 31.0 338 344 A D H X S+ 0 0 51 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.906 108.2 50.6 -61.9 -43.1 0.9 31.4 32.9 339 345 A S H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.889 109.4 50.4 -62.9 -40.6 0.1 29.2 29.9 340 346 A I H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.936 109.8 50.4 -62.6 -44.3 3.7 28.0 29.7 341 347 A E H < S+ 0 0 147 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 117.2 41.1 -63.1 -33.8 3.6 27.1 33.4 342 348 A K H < S+ 0 0 134 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.866 129.2 22.3 -82.6 -38.3 0.3 25.2 33.0 343 349 A Y H < S+ 0 0 68 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.668 136.2 9.6-109.2 -19.4 0.9 23.4 29.7 344 350 A Y S >< S- 0 0 10 -4,-2.3 3,-1.7 -5,-0.4 -2,-0.1 -0.335 72.1-159.5-160.3 70.0 4.7 23.1 29.1 345 351 A P T 3 S+ 0 0 73 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.171 77.7 33.3 -51.2 139.2 6.8 24.1 32.1 346 352 A G T 3 S+ 0 0 62 1,-0.4 2,-0.2 0, 0.0 -5,-0.1 0.260 83.0 131.3 96.7 -14.3 10.4 25.0 31.2 347 353 A T < - 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