==== 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 19-FEB-07 2EEX . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR Y.KITAGO,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) . 19386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 12.8 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 . 45 8.8 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 . 108 21.2 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 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 2 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 1 3 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 0 143 0, 0.0 2,-0.6 0, 0.0 452,-0.1 0.000 360.0 360.0 360.0 108.9 6.2 69.8 41.6 2 8 A K E -a 453 0A 75 450,-0.5 452,-3.1 2,-0.0 2,-0.4 -0.694 360.0-173.1 -83.4 116.7 6.0 66.1 40.7 3 9 A V E -a 454 0A 75 -2,-0.6 2,-0.4 450,-0.2 452,-0.2 -0.934 4.0-178.6-114.7 132.3 7.7 63.9 43.4 4 10 A V E -a 455 0A 0 450,-3.1 452,-2.5 -2,-0.4 2,-0.4 -0.993 18.2-139.0-133.4 134.7 8.1 60.2 43.0 5 11 A D E -a 456 0A 61 -2,-0.4 416,-1.8 450,-0.2 2,-0.5 -0.769 13.0-167.0 -95.5 135.1 9.7 57.6 45.4 6 12 A I E -aB 457 420A 0 450,-2.7 452,-2.2 -2,-0.4 2,-0.5 -0.984 5.1-170.7-120.7 122.2 11.9 54.9 44.1 7 13 A R E -aB 458 419A 115 412,-2.5 412,-2.8 -2,-0.5 2,-0.4 -0.957 4.0-175.8-119.3 123.5 12.7 52.0 46.5 8 14 A I E -aB 459 418A 2 450,-2.4 452,-2.8 -2,-0.5 2,-0.4 -0.917 14.4-171.7-120.0 142.5 15.4 49.4 45.7 9 15 A D E > -aB 460 417A 42 408,-2.1 3,-1.4 -2,-0.4 408,-0.9 -0.897 6.1-166.5-132.6 100.6 16.4 46.2 47.5 10 16 A T T 3 S+ 0 0 1 450,-2.3 451,-0.1 -2,-0.4 -1,-0.1 0.591 88.8 52.2 -63.3 -12.9 19.5 44.7 45.9 11 17 A S T 3 S+ 0 0 84 449,-0.4 3,-0.4 406,-0.1 2,-0.3 0.560 97.0 83.1-100.2 -10.4 19.0 41.5 48.0 12 18 A A S < S- 0 0 25 -3,-1.4 405,-2.2 1,-0.2 -3,-0.2 -0.739 95.9 -0.9-104.0 146.3 15.4 40.9 47.0 13 19 A E S S- 0 0 95 -2,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.799 76.3-177.9 54.2 35.3 13.7 39.3 44.0 14 20 A R + 0 0 89 -3,-0.4 402,-0.2 402,-0.1 -1,-0.2 -0.452 9.7 160.9 -65.6 129.6 17.1 38.6 42.4 15 21 A K E -D 415 0B 83 400,-1.7 400,-2.7 -2,-0.2 364,-0.1 -0.980 41.4-103.7-152.4 138.8 16.5 36.9 39.0 16 22 A P E -D 414 0B 110 0, 0.0 2,-0.6 0, 0.0 398,-0.3 -0.361 25.6-140.5 -65.5 139.1 18.8 36.5 35.9 17 23 A I - 0 0 10 396,-3.3 359,-0.1 -2,-0.1 360,-0.1 -0.903 26.0-120.1 -98.8 118.2 18.1 38.8 32.9 18 24 A S > - 0 0 22 -2,-0.6 3,-1.2 362,-0.5 362,-0.1 -0.367 13.9-140.1 -59.0 130.4 18.5 36.8 29.7 19 25 A P T > S+ 0 0 68 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.692 92.8 69.6 -66.5 -14.6 21.3 38.4 27.7 20 26 A Y E 3 +j 382 0C 41 361,-0.5 363,-1.9 1,-0.2 3,-0.5 0.348 69.1 88.5 -88.0 5.8 19.3 37.8 24.5 21 27 A I E < S+ 0 0 0 -3,-1.2 -1,-0.2 361,-0.3 2,-0.2 0.628 76.1 70.8 -78.7 -10.1 16.4 40.3 25.0 22 28 A Y E < S+ 0 0 17 -3,-0.6 11,-1.6 362,-0.1 12,-0.4 -0.199 77.6 122.9 -99.5 42.8 18.4 43.1 23.3 23 29 A G E -j 384 0C 0 360,-1.9 362,-2.1 -3,-0.5 2,-0.3 -0.337 41.9-155.0 -99.9-179.8 18.3 41.8 19.8 24 30 A S E -jk 385 35C 1 10,-2.1 12,-1.7 360,-0.3 362,-0.2 -0.956 20.5-144.8-147.5 163.7 17.1 43.0 16.4 25 31 A N S S+ 0 0 9 360,-2.2 361,-0.1 -2,-0.3 2,-0.1 0.789 87.8 47.7 -96.1 -41.8 16.0 41.6 13.0 26 32 A Q S S- 0 0 47 359,-0.5 2,-0.8 361,-0.4 10,-0.1 -0.395 101.5 -86.5 -95.7 173.8 17.6 44.3 10.9 27 33 A E - 0 0 112 -2,-0.1 362,-0.4 2,-0.0 2,-0.2 -0.734 57.7-172.2 -84.2 111.3 21.1 45.9 10.9 28 34 A L - 0 0 25 -2,-0.8 2,-1.5 2,-0.2 4,-0.1 -0.648 39.5-117.1-107.6 163.0 20.9 48.7 13.4 29 35 A D S S+ 0 0 108 -2,-0.2 2,-0.3 360,-0.1 -2,-0.0 -0.543 91.3 81.1 -91.3 63.1 23.0 51.5 14.6 30 36 A A S S- 0 0 21 -2,-1.5 2,-0.7 368,-0.1 -2,-0.2 -0.979 89.5 -98.9-162.2 158.7 23.1 49.9 18.0 31 37 A T - 0 0 55 -2,-0.3 2,-0.3 364,-0.2 371,-0.2 -0.786 48.3-172.7 -85.9 116.9 24.9 47.2 19.9 32 38 A V - 0 0 20 -2,-0.7 -9,-0.3 62,-0.1 3,-0.1 -0.737 26.8-154.8-110.9 162.5 22.6 44.1 19.9 33 39 A T S S+ 0 0 24 -11,-1.6 65,-0.5 -2,-0.3 2,-0.3 0.279 78.9 31.3-118.7 8.6 22.8 40.8 21.7 34 40 A A - 0 0 0 -12,-0.4 -10,-2.1 63,-0.1 2,-0.4 -0.943 61.2-157.4-163.1 142.4 20.7 38.6 19.3 35 41 A K E -kl 24 99C 15 63,-2.5 65,-2.8 -2,-0.3 2,-0.5 -0.997 8.3-158.8-129.2 130.0 20.1 38.6 15.6 36 42 A R E - l 0 100C 2 -12,-1.7 2,-0.9 -2,-0.4 65,-0.2 -0.932 9.6-158.5-113.4 129.3 17.1 37.0 13.9 37 43 A F E + l 0 101C 13 63,-3.3 65,-2.1 -2,-0.5 2,-0.2 -0.874 57.2 99.9-101.3 95.2 16.9 35.9 10.3 38 44 A G + 0 0 13 -2,-0.9 3,-0.2 63,-0.1 2,-0.1 -0.822 23.0 100.2-156.7-163.6 13.2 35.9 9.8 39 45 A G S > S- 0 0 2 -2,-0.2 3,-1.7 1,-0.2 4,-0.5 -0.370 86.4 -40.2 99.7 177.4 10.1 37.6 8.5 40 46 A N G > S+ 0 0 34 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.834 129.3 57.1 -47.2 -48.8 8.0 37.2 5.4 41 47 A R G 3 S+ 0 0 32 1,-0.2 12,-0.4 -3,-0.2 3,-0.3 0.698 97.7 63.7 -61.5 -20.4 10.9 36.7 3.0 42 48 A T G X S+ 0 0 2 -3,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.678 82.9 76.6 -81.1 -15.6 12.3 33.7 4.9 43 49 A T T < S+ 0 0 1 -3,-1.3 63,-0.3 -4,-0.5 64,-0.2 0.917 107.5 29.2 -59.9 -44.8 9.2 31.5 4.3 44 50 A G T 3 S+ 0 0 0 -4,-0.4 66,-2.5 9,-0.4 2,-0.3 0.183 87.4 137.0-102.8 17.8 10.1 30.6 0.8 45 51 A Y < - 0 0 0 -3,-0.9 2,-0.7 64,-0.2 7,-0.2 -0.497 42.2-152.3 -68.9 125.1 13.9 30.9 1.1 46 52 A N >> - 0 0 0 5,-3.0 4,-2.7 -2,-0.3 3,-1.0 -0.869 5.9-164.9-101.9 106.3 15.8 28.1 -0.7 47 53 A W T 34 S+ 0 0 0 -2,-0.7 34,-2.9 1,-0.2 35,-0.3 0.766 83.8 67.1 -61.8 -25.4 19.1 27.5 1.0 48 54 A E T 34 S+ 0 0 4 32,-0.2 -1,-0.2 1,-0.2 97,-0.1 0.840 127.1 4.2 -65.8 -32.9 20.4 25.5 -2.0 49 55 A N T <4 S- 0 0 25 -3,-1.0 -2,-0.2 61,-0.2 -1,-0.2 0.379 94.8-120.4-133.1 0.6 20.4 28.5 -4.3 50 56 A N < + 0 0 0 -4,-2.7 17,-0.2 1,-0.2 16,-0.2 0.520 63.1 141.0 70.3 7.3 19.5 31.5 -2.0 51 57 A F + 0 0 51 -5,-0.4 -5,-3.0 59,-0.3 2,-0.3 -0.415 24.7 175.3 -76.1 159.2 16.4 32.4 -4.0 52 58 A S E -R 63 0D 0 11,-1.6 11,-2.3 -7,-0.2 2,-0.4 -0.960 25.8-117.2-156.1 169.3 13.3 33.5 -2.1 53 59 A N E -R 62 0D 1 -12,-0.4 -9,-0.4 -2,-0.3 9,-0.2 -0.962 2.9-153.3-122.8 130.9 9.8 34.9 -2.7 54 60 A A > - 0 0 2 7,-2.4 3,-1.6 -2,-0.4 5,-0.1 0.680 30.8-168.5 -71.0 -18.8 8.4 38.3 -1.6 55 61 A G G > > - 0 0 0 6,-0.3 5,-2.6 1,-0.3 3,-2.0 -0.293 65.8 -14.5 60.8-149.4 4.8 37.0 -1.5 56 62 A S G 3 5S+ 0 0 53 131,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.628 127.5 75.0 -61.8 -14.6 2.2 39.7 -1.1 57 63 A D G < 5S+ 0 0 95 -3,-1.6 -1,-0.3 130,-0.3 -2,-0.2 0.775 117.4 9.8 -69.2 -23.9 4.8 42.2 -0.1 58 64 A W T X 5S- 0 0 162 -3,-2.0 3,-1.7 -4,-0.1 -4,-0.3 -0.307 117.2 -73.2-158.6 69.9 5.9 42.4 -3.8 59 65 A L T 3 5S- 0 0 120 -3,-0.4 58,-0.3 1,-0.3 -3,-0.2 0.745 84.9 -75.3 49.8 32.0 3.9 40.7 -6.5 60 66 A H T 3 > S+ 0 0 48 49,-0.3 4,-2.0 -2,-0.3 3,-1.2 0.143 74.5 126.5 -94.0 18.5 17.8 37.4 -5.3 65 71 A Y H 3> S+ 0 0 102 1,-0.3 4,-3.3 -13,-0.2 5,-0.3 0.853 70.8 51.6 -44.1 -49.8 16.4 40.0 -2.8 66 72 A L H 3> S+ 0 0 17 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.798 108.7 50.7 -63.4 -29.5 17.8 38.4 0.3 67 73 A L H <4>S+ 0 0 1 -3,-1.2 5,-2.7 -17,-0.2 4,-0.3 0.930 116.3 41.9 -71.3 -44.9 21.3 38.2 -1.2 68 74 A E H ><5S+ 0 0 111 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.966 119.0 42.4 -65.1 -55.2 21.2 41.9 -2.1 69 75 A D H 3<5S+ 0 0 97 -4,-3.3 -1,-0.2 1,-0.3 -3,-0.2 0.822 113.1 54.2 -63.4 -32.1 19.6 43.1 1.1 70 76 A G T 3<5S- 0 0 25 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.497 110.1-123.5 -81.2 -2.2 21.8 40.9 3.2 71 77 A G T < 5 + 0 0 45 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.849 45.4 174.3 64.4 34.8 24.9 42.3 1.6 72 78 A V < - 0 0 3 -5,-2.7 -1,-0.2 -6,-0.2 5,-0.1 -0.573 39.7-105.0 -75.4 132.3 26.1 38.9 0.4 73 79 A P > - 0 0 63 0, 0.0 3,-2.8 0, 0.0 4,-0.5 -0.343 25.9-123.8 -58.5 133.4 29.3 39.2 -1.8 74 80 A K G > S+ 0 0 140 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.791 109.3 63.2 -49.1 -31.9 28.3 38.6 -5.5 75 81 A G G 3 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.654 104.7 45.9 -70.5 -13.5 30.9 35.8 -5.6 76 82 A E G X S+ 0 0 71 -3,-2.8 3,-1.9 1,-0.1 6,-0.3 0.369 79.6 103.3-107.8 1.8 29.0 33.8 -3.0 77 83 A W T < S+ 0 0 59 -3,-1.1 -1,-0.1 -4,-0.5 -2,-0.1 0.785 87.3 42.6 -55.8 -30.6 25.5 34.2 -4.5 78 84 A S T 3 S+ 0 0 102 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.395 92.4 106.7 -96.7 2.3 25.5 30.7 -5.9 79 85 A T S X S- 0 0 51 -3,-1.9 3,-2.0 1,-0.1 4,-0.3 -0.698 83.1-102.8 -85.1 128.5 27.0 29.3 -2.7 80 86 A P T 3 S- 0 0 24 0, 0.0 -32,-0.2 0, 0.0 -33,-0.1 -0.175 99.4 -1.8 -50.7 134.7 24.5 27.2 -0.6 81 87 A A T 3> S+ 0 0 0 -34,-2.9 4,-3.4 -35,-0.2 5,-0.3 0.582 83.7 140.3 59.6 14.8 23.2 29.1 2.4 82 88 A S H <> + 0 0 0 -3,-2.0 4,-2.2 -6,-0.3 5,-0.3 0.832 69.8 57.6 -56.7 -32.2 25.4 32.2 1.7 83 89 A V H > S+ 0 0 7 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.954 114.7 36.9 -61.9 -47.3 22.5 34.4 2.8 84 90 A V H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.887 116.4 50.2 -73.5 -42.0 22.4 32.7 6.2 85 91 A T H X S+ 0 0 7 -4,-3.4 4,-3.2 2,-0.2 5,-0.2 0.882 111.5 49.5 -67.2 -35.0 26.2 32.2 6.6 86 92 A T H X S+ 0 0 11 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.933 111.4 50.9 -65.4 -43.8 26.8 35.9 5.7 87 93 A F H X S+ 0 0 32 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.936 116.2 40.0 -57.3 -49.6 24.0 36.8 8.3 88 94 A H H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.886 111.5 56.0 -70.5 -39.6 25.7 34.7 11.0 89 95 A D H X S+ 0 0 67 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.944 108.9 49.2 -57.1 -46.3 29.3 35.7 10.1 90 96 A K H X S+ 0 0 62 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.893 110.7 49.8 -59.0 -42.6 28.1 39.3 10.6 91 97 A A H ><>S+ 0 0 2 -4,-1.7 5,-2.8 2,-0.2 3,-0.6 0.952 112.1 47.1 -61.5 -50.8 26.6 38.5 13.9 92 98 A L H ><5S+ 0 0 51 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.905 109.5 54.2 -58.3 -42.5 29.7 36.7 15.1 93 99 A S H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.775 108.4 49.5 -64.8 -25.6 31.9 39.6 13.9 94 100 A K T <<5S- 0 0 153 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.239 119.4-111.7 -95.6 11.9 29.8 42.0 16.0 95 101 A N T < 5 + 0 0 142 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.817 58.1 164.0 62.4 32.8 30.1 39.8 19.0 96 102 A V < - 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o 0 276C 0 49,-1.3 51,-3.2 -46,-0.2 -1,-0.2 -0.381 18.3-136.5 -66.8 137.7 2.6 34.0 15.6 227 233 A Y - 0 0 58 49,-0.2 52,-0.3 1,-0.1 2,-0.3 0.836 67.4 -37.6 -65.0 -38.0 1.9 37.4 14.1 228 234 A G S >> S- 0 0 10 50,-0.1 4,-1.6 1,-0.0 3,-1.2 -0.971 78.7 -55.1-171.7-175.4 -0.5 38.8 16.7 229 235 A F H 3> S+ 0 0 5 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.808 120.4 58.4 -48.4 -45.5 -3.3 38.3 19.2 230 236 A A H 3> S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 6,-1.4 0.884 110.4 45.9 -56.1 -36.6 -5.9 36.8 16.8 231 237 A A H <> S+ 0 0 0 -3,-1.2 4,-1.4 4,-0.3 -1,-0.2 0.859 109.4 55.4 -72.7 -35.5 -3.3 34.0 16.0 232 238 A Y H < S+ 0 0 1 -4,-1.6 20,-1.7 2,-0.2 -2,-0.2 0.907 116.8 36.7 -60.4 -44.2 -2.6 33.6 19.7 233 239 A E H < S- 0 0 41 -4,-2.6 18,-2.0 17,-0.2 -2,-0.2 0.929 142.6 -4.1 -79.6 -47.5 -6.2 33.0 20.4 234 240 A T H X S- 0 0 31 -4,-2.5 4,-2.5 -5,-0.2 -3,-0.2 0.184 91.2-106.2-135.1 17.7 -7.6 31.0 17.5 235 241 A L T < S- 0 0 2 -4,-1.4 -4,-0.3 -5,-0.3 -3,-0.1 0.944 87.5 -51.7 52.1 46.9 -4.7 30.7 15.0 236 242 A Q T 4 S- 0 0 71 -6,-1.4 -1,-0.2 1,-0.2 -5,-0.2 0.931 107.7 -49.4 54.9 53.7 -6.7 33.3 13.0 237 243 A S T 4 S- 0 0 98 -7,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.910 80.1-151.2 55.0 46.7 -9.9 31.3 13.0 238 244 A A >< - 0 0 7 -4,-2.5 3,-2.3 1,-0.1 4,-0.4 -0.173 18.8-117.5 -49.5 136.0 -8.1 28.1 11.9 239 245 A P T 3 S+ 0 0 86 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.773 113.2 37.4 -47.2 -33.7 -10.5 25.8 10.0 240 246 A D T >> S+ 0 0 13 1,-0.2 4,-2.8 2,-0.1 3,-1.2 0.307 83.8 102.9-106.0 10.6 -10.2 23.1 12.6 241 247 A W H <> S+ 0 0 38 -3,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.815 71.3 67.6 -63.4 -29.6 -10.1 25.2 15.7 242 248 A G H 34 S+ 0 0 73 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.815 117.8 23.5 -59.8 -29.4 -13.8 24.4 16.5 243 249 A T H X4 S+ 0 0 98 -3,-1.2 3,-1.5 2,-0.1 -2,-0.2 0.848 125.2 47.3-101.1 -52.7 -12.7 20.8 17.1 244 250 A E H 3< S+ 0 0 51 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.855 111.2 54.5 -58.7 -36.4 -9.0 20.9 18.0 245 251 A G T >< S+ 0 0 9 -4,-2.0 3,-2.6 -5,-0.4 -1,-0.3 0.450 72.3 132.7 -81.4 0.5 -9.6 23.8 20.5 246 252 A E T < S+ 0 0 166 -3,-1.5 3,-0.1 1,-0.3 -3,-0.1 -0.309 81.2 10.6 -56.0 123.4 -12.3 22.1 22.6 247 253 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.419 103.9 113.0 88.9 -2.1 -11.3 22.6 26.2 248 254 A Y < - 0 0 44 -3,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.896 60.0-148.2-109.5 134.1 -8.6 25.1 25.5 249 255 A R S S- 0 0 82 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.846 82.4 -14.0 -64.3 -36.8 -8.8 28.8 26.5 250 256 A W S >> S- 0 0 0 1,-0.1 4,-1.3 -3,-0.1 3,-1.0 -0.981 73.8 -95.1-161.0 163.1 -6.7 29.8 23.5 251 257 A F H 3> S+ 0 0 0 -18,-2.0 4,-2.9 -2,-0.3 5,-0.2 0.830 116.2 69.4 -52.6 -34.4 -4.5 28.4 20.8 252 258 A I H 3> S+ 0 0 1 -20,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.923 101.2 45.4 -49.8 -49.2 -1.5 29.2 22.9 253 259 A D H <> S+ 0 0 5 -3,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.870 111.9 52.1 -63.1 -39.1 -2.5 26.5 25.4 254 260 A Y H X S+ 0 0 4 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.908 110.0 48.8 -63.1 -45.1 -3.2 24.0 22.6 255 261 A Y H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.948 114.8 43.9 -61.1 -50.7 0.2 24.6 21.0 256 262 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.936 115.8 48.0 -61.0 -47.6 2.1 24.2 24.3 257 263 A D H X S+ 0 0 49 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.921 114.6 44.4 -61.3 -46.5 0.1 21.2 25.4 258 264 A K H X S+ 0 0 56 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.866 113.1 50.7 -69.3 -35.9 0.4 19.3 22.0 259 265 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 11,-0.3 0.884 112.2 47.6 -69.0 -35.8 4.2 20.1 21.7 260 266 A K H X S+ 0 0 63 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.896 110.0 53.5 -69.1 -39.0 4.7 18.8 25.3 261 267 A K H X S+ 0 0 100 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.929 111.5 44.8 -59.3 -47.6 2.7 15.7 24.4 262 268 A A H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.877 112.3 52.0 -64.9 -39.8 4.8 15.0 21.4 263 269 A S H X>S+ 0 0 3 -4,-2.1 4,-3.0 1,-0.2 5,-1.2 0.915 109.0 51.0 -63.6 -41.8 8.0 15.7 23.4 264 270 A D H <5S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 113.3 44.5 -64.3 -35.5 6.9 13.2 26.0 265 271 A E H <5S+ 0 0 133 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.865 116.8 46.3 -75.8 -36.0 6.2 10.6 23.4 266 272 A E H <5S- 0 0 85 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.852 109.3-121.1 -74.8 -37.8 9.5 11.3 21.6 267 273 A G T <5S+ 0 0 68 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.559 79.4 61.0 106.4 9.1 11.6 11.3 24.8 268 274 A K S +V 287 0F 8 3,-2.5 3,-1.2 -2,-0.3 16,-0.3 -0.935 67.7 15.7-165.0 140.6 -3.9 57.5 21.0 285 291 A G T 3 S- 0 0 37 -2,-0.3 15,-0.2 14,-0.3 3,-0.1 0.808 132.5 -57.4 62.5 27.0 -4.9 60.7 19.2 286 292 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 13,-0.1 -1,-0.2 0.610 119.6 81.2 80.4 14.5 -7.0 58.6 16.8 287 293 A E E < S-V 284 0F 37 -3,-1.2 -3,-2.5 7,-0.0 -1,-0.2 -0.974 83.1 -94.5-148.7 161.7 -4.3 56.4 15.5 288 294 A R E -V 283 0F 62 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.468 35.5-126.2 -72.3 146.8 -2.3 53.2 16.3 289 295 A I S S+ 0 0 0 -7,-2.3 69,-0.3 -2,-0.1 2,-0.2 0.711 92.1 38.5 -69.9 -19.4 1.1 53.9 18.0 290 296 A C S S+ 0 0 1 -10,-0.4 -2,-0.1 -8,-0.3 4,-0.1 -0.730 91.4 53.3-122.2 173.5 3.0 52.0 15.4 291 297 A F S S- 0 0 114 -2,-0.2 -3,-0.2 1,-0.1 -1,-0.2 0.999 129.1 -15.1 64.7 77.0 2.7 51.6 11.6 292 298 A G S S+ 0 0 81 1,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.799 89.0 169.7 72.9 29.3 2.7 55.0 10.1 293 299 A A - 0 0 24 -4,-0.2 -1,-0.2 1,-0.1 65,-0.1 -0.488 36.2-119.3 -74.2 143.8 2.0 56.9 13.4 294 300 A D > - 0 0 51 -2,-0.2 3,-1.8 1,-0.1 7,-0.2 -0.759 13.0-155.5 -89.5 114.9 2.4 60.7 13.2 295 301 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 0.597 92.5 64.3 -62.8 -11.8 5.1 62.0 15.6 296 302 A R T 3 S+ 0 0 192 1,-0.1 2,-1.0 4,-0.0 3,-0.1 0.694 78.5 95.4 -83.7 -20.0 3.3 65.4 15.7 297 303 A N <> - 0 0 43 -3,-1.8 4,-2.1 1,-0.2 3,-0.2 -0.618 57.7-169.4 -76.3 102.5 0.3 63.8 17.4 298 304 A I H > S+ 0 0 73 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.853 84.2 54.5 -61.2 -38.9 0.9 64.4 21.1 299 305 A E H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -14,-0.3 0.884 108.5 48.9 -64.1 -38.1 -1.9 62.1 22.2 300 306 A T H > S+ 0 0 0 -16,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.932 111.0 50.8 -65.9 -44.4 -0.4 59.2 20.2 301 307 A N H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.896 110.8 48.2 -60.1 -42.2 3.0 59.9 21.7 302 308 A K H X S+ 0 0 79 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.884 110.6 50.9 -66.8 -37.7 1.5 59.9 25.2 303 309 A A H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.874 106.6 56.2 -66.6 -34.0 -0.3 56.6 24.5 304 310 A R H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 102.6 55.2 -63.0 -40.6 3.0 55.2 23.2 305 311 A L H < S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 115.3 38.1 -62.0 -33.3 4.6 56.0 26.6 306 312 A Q H >< S+ 0 0 29 -4,-1.2 3,-2.3 -3,-0.2 4,-0.3 0.715 92.4 87.1 -90.7 -24.5 1.9 54.0 28.4 307 313 A A G >< S+ 0 0 1 -4,-2.1 3,-2.1 1,-0.3 4,-0.4 0.791 75.7 68.6 -47.5 -37.6 1.5 51.1 26.0 308 314 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.794 86.0 71.7 -56.2 -25.1 4.3 49.0 27.5 309 315 A R G X> S+ 0 0 21 -3,-2.3 4,-2.6 1,-0.3 3,-1.0 0.741 81.0 70.7 -63.2 -22.7 2.1 48.5 30.6 310 316 A T G <4 S+ 0 0 2 -3,-2.1 22,-2.1 -4,-0.3 -1,-0.3 0.765 91.2 63.5 -65.2 -20.4 -0.2 46.2 28.6 311 317 A L G <4 S- 0 0 3 -3,-1.8 22,-1.4 -4,-0.4 -1,-0.2 0.800 130.5 -8.4 -72.4 -29.4 2.8 43.8 28.8 312 318 A W T <4 S+ 0 0 43 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.597 102.9 97.7-141.1 -27.0 2.7 43.5 32.6 313 319 A D >< - 0 0 6 -4,-2.6 3,-1.5 -5,-0.2 -1,-0.1 -0.664 44.3-166.5 -84.1 109.1 0.4 45.9 34.4 314 320 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.725 88.7 58.0 -64.0 -20.7 -3.0 44.4 35.4 315 321 A T T 3 S+ 0 0 101 -6,-0.1 2,-0.6 2,-0.0 -5,-0.1 0.548 88.9 90.5 -87.3 -7.2 -4.4 47.9 36.1 316 322 A Y < - 0 0 41 -3,-1.5 2,-0.6 -7,-0.3 -3,-0.0 -0.808 49.6-178.0-100.3 123.6 -3.7 49.2 32.7 317 323 A I - 0 0 82 -2,-0.6 6,-0.0 14,-0.0 -10,-0.0 -0.950 16.4-152.3-117.9 110.1 -6.3 49.0 29.9 318 324 A E - 0 0 8 -2,-0.6 2,-1.1 -11,-0.1 -36,-0.0 -0.269 26.5-103.1 -76.3 167.0 -5.1 50.4 26.5 319 325 A D S S+ 0 0 102 -36,-0.4 -36,-1.5 4,-0.1 2,-0.3 -0.776 81.4 95.5 -94.2 94.2 -7.4 51.8 23.9 320 326 A S S > S- 0 0 6 -2,-1.1 4,-2.1 -38,-0.2 5,-0.2 -0.961 89.1 -94.6-167.2 168.6 -7.6 49.0 21.3 321 327 A W H > S+ 0 0 96 -2,-0.3 4,-2.7 1,-0.2 5,-0.4 0.828 125.7 53.1 -65.2 -28.2 -9.8 46.1 20.4 322 328 A I H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 109.0 46.4 -71.3 -46.6 -7.5 43.9 22.6 323 329 A G H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.834 119.5 42.9 -64.3 -30.9 -7.9 46.1 25.6 324 330 A Q H < S+ 0 0 117 -4,-2.1 3,-0.3 2,-0.1 -2,-0.2 0.927 129.3 19.5 -81.4 -48.0 -11.7 46.3 25.1 325 331 A W H < S+ 0 0 190 -4,-2.7 3,-0.2 -5,-0.2 -3,-0.2 0.599 122.5 50.2-102.2 -12.3 -12.6 42.7 24.3 326 332 A K >< + 0 0 46 -4,-2.2 3,-2.2 -5,-0.4 -1,-0.2 -0.109 56.9 131.1-121.4 39.8 -9.7 40.6 25.5 327 333 A K G > + 0 0 105 1,-0.3 3,-2.1 -3,-0.3 -1,-0.1 0.827 68.9 69.1 -58.4 -31.7 -9.1 41.7 29.1 328 334 A D G 3 S+ 0 0 106 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.633 102.1 46.7 -62.5 -12.6 -9.1 38.0 30.2 329 335 A F G < S+ 0 0 11 -3,-2.2 -1,-0.3 -7,-0.2 6,-0.2 0.214 96.4 135.3-113.8 13.5 -5.8 37.7 28.3 330 336 A L < + 0 0 23 -3,-2.1 2,-0.1 5,-0.1 -19,-0.1 -0.896 46.5 44.0-120.1 149.2 -4.1 40.9 29.7 331 337 A P S > S- 0 0 15 0, 0.0 4,-1.5 0, 0.0 -20,-0.2 0.501 84.3-149.4 -66.5 144.3 -1.5 41.8 30.9 332 338 A I H > S+ 0 0 1 -22,-2.1 4,-2.4 1,-0.2 5,-0.2 0.896 83.9 49.6 -59.1 -50.0 -0.1 39.8 28.0 333 339 A L H > S+ 0 0 1 -22,-1.4 4,-2.8 1,-0.2 5,-0.3 0.935 111.0 49.1 -59.1 -47.4 3.3 38.5 29.3 334 340 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.878 112.1 50.4 -60.2 -35.1 1.9 37.1 32.6 335 341 A N H X S+ 0 0 22 -4,-1.5 4,-2.0 -6,-0.2 -2,-0.2 0.905 111.5 46.7 -69.2 -40.0 -0.8 35.3 30.6 336 342 A L H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.928 115.8 45.7 -66.4 -43.3 1.7 33.8 28.2 337 343 A L H X S+ 0 0 49 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.855 110.0 54.8 -67.0 -36.4 3.9 32.7 31.1 338 344 A D H X S+ 0 0 47 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.896 107.4 50.4 -63.4 -41.1 0.9 31.4 33.0 339 345 A S H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.903 109.3 51.5 -64.5 -40.4 0.1 29.2 30.0 340 346 A I H X S+ 0 0 8 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.954 109.1 49.3 -60.6 -49.8 3.6 27.9 29.9 341 347 A E H < S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.4 43.3 -58.5 -35.4 3.6 27.0 33.6 342 348 A K H < S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.885 129.2 19.4 -80.2 -40.3 0.3 25.2 33.0 343 349 A Y H < S+ 0 0 67 -4,-3.1 -3,-0.2 -5,-0.1 -83,-0.2 0.636 137.6 10.1-109.7 -15.1 0.9 23.3 29.8 344 350 A Y S >< S- 0 0 11 -4,-2.7 3,-1.6 -5,-0.4 -2,-0.1 -0.312 71.1-161.2-163.9 71.4 4.6 23.1 29.2 345 351 A P T 3 S+ 0 0 69 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.192 77.8 34.8 -54.4 143.4 6.8 24.1 32.2 346 352 A G T 3 S+ 0 0 62 1,-0.4 2,-0.2 0, 0.0 -5,-0.1 0.250 84.0 131.8 93.5 -13.8 10.4 25.0 31.4 347 353 A T < - 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