==== 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 17-JUN-05 2CW8 . COMPND 2 MOLECULE: ENDONUCLEASE PI-PKOII; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR H.MATSUMURA,H.TAKAHASHI,T.INOUE,H.HASHIMOTO,M.NISHIOKA,S.FUJ . 537 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 0.2 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 . 34 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 0 1 1 1 2 1 2 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 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 . 7 4 5 2 6 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 4 0 0 0 1 0 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 1 A S 0 0 19 0, 0.0 92,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.1 30.0 10.0 86.9 2 2 A I B -AB 92 516A 0 514,-3.8 514,-3.3 90,-0.2 90,-0.2 -0.705 360.0-110.2 -96.2 146.5 33.6 10.3 86.0 3 3 A L > - 0 0 0 88,-1.6 3,-1.2 -2,-0.3 19,-0.2 -0.333 29.0-108.4 -74.3 159.2 36.2 7.6 86.5 4 4 A P T 3 S+ 0 0 30 0, 0.0 18,-2.1 0, 0.0 19,-0.5 0.785 111.6 49.5 -52.9 -41.5 39.0 7.8 89.1 5 5 A E T 3 S+ 0 0 71 16,-0.2 2,-0.3 17,-0.1 -2,-0.0 0.451 78.8 122.4 -85.7 -1.0 42.0 8.3 86.8 6 6 A E < - 0 0 5 -3,-1.2 15,-2.6 85,-0.1 16,-0.2 -0.453 62.9-124.5 -68.4 127.2 40.5 11.1 84.6 7 7 A W E -H 20 0B 28 -2,-0.3 522,-1.7 13,-0.2 13,-0.2 -0.379 28.1-170.9 -69.9 150.0 42.6 14.2 84.6 8 8 A L E -H 19 0B 0 11,-2.5 11,-2.4 520,-0.2 2,-0.4 -0.977 19.2-136.2-147.8 125.1 40.9 17.5 85.6 9 9 A P E +H 18 0B 3 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.699 34.6 173.0 -84.1 133.7 42.1 21.1 85.4 10 10 A V E -H 17 0B 1 7,-3.1 7,-3.5 -2,-0.4 2,-0.4 -0.959 25.5-139.8-140.6 153.7 41.4 23.0 88.6 11 11 A L E -HI 16 51B 2 40,-2.9 40,-1.5 -2,-0.3 2,-0.5 -0.972 14.5-174.6-118.6 133.9 42.2 26.4 90.1 12 12 A E E > S-HI 15 50B 61 3,-2.7 3,-2.1 -2,-0.4 38,-0.1 -0.987 75.5 -20.3-128.5 121.2 43.1 27.0 93.7 13 13 A E T 3 S- 0 0 153 36,-0.7 -1,-0.1 -2,-0.5 3,-0.1 0.888 132.5 -46.4 49.3 41.6 43.6 30.5 95.1 14 14 A G T 3 S+ 0 0 22 1,-0.2 2,-0.3 116,-0.0 -1,-0.3 0.410 115.4 109.9 87.0 -3.7 44.2 31.6 91.5 15 15 A E E < -H 12 0B 16 -3,-2.1 -3,-2.7 350,-0.0 2,-0.5 -0.851 62.2-127.9-110.5 146.8 46.6 28.9 90.4 16 16 A V E +H 11 0B 5 346,-0.5 2,-0.3 -2,-0.3 -5,-0.2 -0.786 29.5 173.9 -95.5 128.0 45.9 26.1 87.8 17 17 A H E -H 10 0B 52 -7,-3.5 -7,-3.1 -2,-0.5 2,-0.5 -0.943 26.7-136.2-129.6 151.4 46.6 22.5 88.7 18 18 A F E +H 9 0B 31 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.925 33.0 173.2-105.6 131.9 46.0 19.2 86.9 19 19 A V E -H 8 0B 22 -11,-2.4 -11,-2.5 -2,-0.5 2,-0.7 -0.929 40.2-115.3-135.4 158.7 44.6 16.5 89.2 20 20 A R E > -H 7 0B 69 -2,-0.3 4,-2.2 -13,-0.2 3,-0.4 -0.886 34.6-133.1 -93.0 117.2 43.2 13.0 88.8 21 21 A I H > S+ 0 0 0 -15,-2.6 4,-2.5 -2,-0.7 5,-0.2 0.780 102.7 52.9 -43.6 -36.0 39.6 13.6 89.9 22 22 A G H > S+ 0 0 1 -18,-2.1 4,-3.3 -19,-0.2 5,-0.3 0.969 108.9 47.9 -66.1 -52.0 39.7 10.4 92.1 23 23 A E H > S+ 0 0 115 -19,-0.5 4,-2.3 -3,-0.4 5,-0.2 0.896 114.1 48.2 -55.5 -43.0 42.9 11.5 93.9 24 24 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.955 116.5 41.1 -64.5 -50.1 41.5 14.9 94.5 25 25 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.848 116.6 48.5 -70.2 -31.7 38.1 13.7 95.8 26 26 A D H X S+ 0 0 58 -4,-3.3 4,-1.6 -5,-0.2 -2,-0.2 0.949 113.0 47.3 -71.3 -45.8 39.5 10.9 97.9 27 27 A R H X S+ 0 0 101 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.892 112.5 49.7 -60.1 -45.1 42.2 13.1 99.5 28 28 A X H < S+ 0 0 36 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.945 110.0 49.4 -59.6 -52.3 39.7 15.8 100.3 29 29 A X H < S+ 0 0 7 -4,-1.8 3,-0.4 1,-0.2 7,-0.2 0.792 110.0 52.1 -60.3 -31.1 37.2 13.5 101.9 30 30 A E H >< S+ 0 0 131 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.881 110.9 46.2 -73.4 -38.6 39.8 11.9 104.1 31 31 A E T 3< S+ 0 0 108 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.395 123.3 35.9 -84.0 2.8 41.1 15.2 105.4 32 32 A N T >> S+ 0 0 47 -3,-0.4 4,-1.1 -4,-0.4 3,-0.7 -0.036 71.2 146.5-143.2 29.6 37.5 16.4 106.1 33 33 A A G X4 S+ 0 0 68 -3,-0.8 3,-0.6 1,-0.2 -2,-0.1 0.807 70.9 55.7 -37.9 -46.4 35.9 13.1 107.1 34 34 A G G 34 S+ 0 0 78 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.937 105.4 48.4 -57.3 -52.5 33.6 14.9 109.6 35 35 A K G <4 S+ 0 0 144 -3,-0.7 2,-0.7 -6,-0.0 11,-0.3 0.686 84.8 107.7 -64.0 -18.4 32.0 17.2 107.0 36 36 A V << - 0 0 26 -4,-1.1 9,-0.2 -3,-0.6 2,-0.1 -0.495 55.8-163.3 -67.2 105.8 31.3 14.3 104.5 37 37 A K E -C 44 0A 168 7,-1.9 7,-1.3 -2,-0.7 2,-0.3 -0.474 7.4-155.8 -82.1 163.6 27.6 13.7 104.6 38 38 A R E -C 43 0A 183 5,-0.2 2,-0.5 -2,-0.1 5,-0.2 -0.958 23.9-170.5-151.8 128.3 26.4 10.4 103.2 39 39 A E E > -C 42 0A 171 3,-1.8 3,-1.2 -2,-0.3 2,-1.0 -0.717 67.2 -75.8-118.4 78.0 23.2 9.1 101.7 40 40 A G T 3 S+ 0 0 48 -2,-0.5 -1,-0.0 1,-0.3 0, 0.0 -0.585 120.1 6.6 77.2 -99.5 23.7 5.4 101.4 41 41 A E T 3 S+ 0 0 126 -2,-1.0 33,-0.9 -3,-0.0 2,-0.3 0.642 119.6 78.2 -91.1 -19.4 26.0 4.8 98.5 42 42 A T E < -CD 39 73A 20 -3,-1.2 -3,-1.8 31,-0.2 2,-0.4 -0.721 59.0-162.8 -98.1 144.5 26.8 8.4 97.8 43 43 A E E -CD 38 72A 30 29,-2.2 29,-1.5 -2,-0.3 2,-0.5 -0.981 7.5-168.8-126.8 116.8 29.2 10.7 99.7 44 44 A V E -CD 37 71A 53 -7,-1.3 -7,-1.9 -2,-0.4 2,-0.5 -0.906 6.0-175.4-111.4 131.5 28.9 14.5 99.3 45 45 A L E - D 0 70A 1 25,-2.7 25,-1.7 -2,-0.5 -9,-0.1 -0.879 16.3-147.5-126.9 101.2 31.6 16.9 100.6 46 46 A E E + D 0 69A 149 -2,-0.5 2,-0.3 -11,-0.3 23,-0.3 -0.378 29.2 173.3 -64.4 142.0 30.7 20.6 100.3 47 47 A V - 0 0 26 21,-2.2 2,-0.3 20,-0.2 -1,-0.0 -0.920 25.3-158.7-146.0 170.3 33.9 22.7 99.7 48 48 A S + 0 0 101 -2,-0.3 3,-0.1 18,-0.1 20,-0.0 -0.917 69.4 59.6-143.9 162.4 35.2 26.2 98.9 49 49 A G S S+ 0 0 33 1,-0.3 -36,-0.7 -2,-0.3 2,-0.4 0.330 82.4 105.6 96.8 -9.4 38.5 27.3 97.5 50 50 A L E +I 12 0B 9 17,-0.3 17,-2.1 -38,-0.1 2,-0.3 -0.867 41.4 176.5-110.3 143.1 38.0 25.3 94.3 51 51 A E E -IJ 11 66B 78 -40,-1.5 -40,-2.9 -2,-0.4 15,-0.2 -0.990 6.2-167.8-141.5 144.5 37.2 26.6 90.8 52 52 A V E - J 0 65B 0 13,-2.1 13,-2.3 -2,-0.3 2,-0.3 -0.958 29.7-103.8-134.5 151.7 36.9 24.8 87.5 53 53 A P E + J 0 64B 5 0, 0.0 474,-0.9 0, 0.0 2,-0.3 -0.596 51.2 155.3 -77.0 133.5 36.7 26.0 83.8 54 54 A S E - J 0 63B 1 9,-2.3 9,-2.9 -2,-0.3 2,-0.4 -0.857 37.4-113.2-143.5 177.2 33.2 25.8 82.4 55 55 A F E - J 0 62B 5 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.949 35.7-101.6-121.4 142.9 31.1 27.4 79.7 56 56 A N > - 0 0 36 5,-2.5 4,-2.3 -2,-0.4 467,-0.1 -0.434 27.4-137.6 -61.7 123.0 28.1 29.7 80.1 57 57 A R T 4 S+ 0 0 147 -2,-0.2 -1,-0.2 1,-0.2 466,-0.0 0.775 99.5 33.2 -53.1 -29.3 25.0 27.6 79.4 58 58 A R T 4 S+ 0 0 204 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.912 132.5 24.5 -94.5 -57.9 23.4 30.4 77.4 59 59 A T T 4 S- 0 0 44 2,-0.1 -2,-0.2 436,-0.0 438,-0.1 0.752 91.0-139.8 -80.7 -22.8 26.3 32.3 75.7 60 60 A N < + 0 0 6 -4,-2.3 437,-2.8 1,-0.2 2,-0.2 0.734 48.9 148.3 69.7 24.6 28.6 29.3 75.7 61 61 A K - 0 0 96 435,-0.3 -5,-2.5 436,-0.1 -1,-0.2 -0.621 55.8 -95.8 -91.7 152.6 31.6 31.5 76.6 62 62 A A E +J 55 0B 10 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.456 55.7 154.8 -68.3 129.7 34.5 30.3 78.7 63 63 A E E -J 54 0B 51 -9,-2.9 -9,-2.3 -2,-0.2 2,-0.2 -0.972 39.5-121.2-156.5 141.3 34.2 31.2 82.4 64 64 A L E -J 53 0B 37 -2,-0.3 2,-0.3 63,-0.2 64,-0.0 -0.580 33.6-167.3 -82.2 146.9 35.6 29.8 85.7 65 65 A K E -J 52 0B 43 -13,-2.3 -13,-2.1 -2,-0.2 2,-0.1 -0.963 25.6 -98.0-139.2 156.5 33.1 28.8 88.3 66 66 A R E -J 51 0B 96 -2,-0.3 455,-3.1 -15,-0.2 2,-0.8 -0.426 31.0-132.7 -68.7 139.4 32.9 27.8 92.0 67 67 A V E - E 0 520A 1 -17,-2.1 -17,-0.3 453,-0.2 453,-0.3 -0.867 20.1-168.4 -92.7 108.2 32.9 24.1 92.7 68 68 A K E - 0 0 83 451,-2.0 -21,-2.2 -2,-0.8 2,-0.3 0.935 61.4 -14.6 -64.1 -47.6 30.1 23.7 95.2 69 69 A A E -DE 46 519A 4 450,-1.0 450,-1.8 -23,-0.3 2,-0.4 -0.951 55.3-124.3-152.3 168.9 30.8 20.2 96.3 70 70 A L E -DE 45 518A 0 -25,-1.7 -25,-2.7 -2,-0.3 2,-0.3 -0.939 31.0-160.7-116.4 139.1 32.7 17.0 95.5 71 71 A I E -DE 44 517A 27 446,-2.7 446,-1.5 -2,-0.4 2,-0.3 -0.903 13.7-172.3-127.0 154.4 30.8 13.7 95.2 72 72 A R E -DE 43 516A 25 -29,-1.5 -29,-2.2 -2,-0.3 2,-0.3 -0.938 3.7-177.1-147.4 118.5 31.6 10.0 95.3 73 73 A H E -DE 42 515A 50 442,-2.1 442,-2.5 -2,-0.3 2,-0.7 -0.861 31.1-123.5-111.3 146.7 29.2 7.1 94.5 74 74 A D E - E 0 514A 102 -33,-0.9 2,-0.3 -2,-0.3 440,-0.3 -0.866 41.8-156.8 -90.8 122.7 30.2 3.5 94.8 75 75 A Y E + E 0 513A 37 438,-4.4 438,-3.4 -2,-0.7 2,-0.3 -0.817 30.2 172.2-112.5 144.9 29.6 2.2 91.3 76 76 A S E + E 0 512A 91 -2,-0.3 2,-0.3 436,-0.2 436,-0.2 -0.867 52.7 54.5-145.1 104.2 29.0 -1.2 89.8 77 77 A G E S- E 0 511A 23 434,-2.7 434,-4.1 -2,-0.3 2,-0.3 -0.948 85.2 -16.5 171.3-149.0 28.1 -1.3 86.1 78 78 A K E - E 0 510A 102 -2,-0.3 16,-1.4 432,-0.2 2,-0.4 -0.687 44.1-167.1 -93.9 139.9 29.2 -0.2 82.7 79 79 A V E -FE 93 509A 0 430,-2.3 430,-2.1 -2,-0.3 2,-0.5 -0.959 8.7-149.5-123.5 143.6 31.8 2.4 81.9 80 80 A Y E -FE 92 508A 25 12,-3.4 12,-2.5 -2,-0.4 2,-0.8 -0.948 4.0-153.6-117.6 125.3 32.4 4.0 78.5 81 81 A T E -FE 91 507A 8 426,-2.8 426,-2.2 -2,-0.5 2,-0.5 -0.881 19.4-155.8 -97.5 114.7 35.7 5.3 77.2 82 82 A I E -FE 90 506A 0 8,-4.0 8,-2.1 -2,-0.8 2,-0.5 -0.815 7.7-166.7 -95.3 122.0 34.9 8.0 74.6 83 83 A R E -FE 89 505A 87 422,-2.7 421,-4.2 -2,-0.5 422,-1.5 -0.940 5.8-153.8-113.4 123.3 37.5 8.7 71.9 84 84 A L E > - E 0 503A 3 4,-2.4 3,-1.8 -2,-0.5 419,-0.3 -0.615 27.5-118.6 -92.8 151.5 37.2 11.8 69.8 85 85 A K T 3 S+ 0 0 147 417,-3.2 418,-0.1 1,-0.3 -1,-0.1 0.722 113.6 63.7 -60.8 -19.7 38.7 12.0 66.3 86 86 A S T 3 S- 0 0 3 416,-0.3 333,-3.0 332,-0.1 -1,-0.3 0.660 122.4-101.2 -79.9 -18.8 40.9 14.8 67.7 87 87 A G S < S+ 0 0 24 -3,-1.8 -2,-0.1 1,-0.4 331,-0.1 0.143 78.6 134.4 117.4 -16.9 42.7 12.6 70.2 88 88 A R - 0 0 4 443,-0.1 -4,-2.4 331,-0.1 -1,-0.4 -0.287 33.7-169.7 -63.1 151.2 40.7 13.6 73.2 89 89 A R E +GF 530 83A 74 441,-1.4 441,-2.4 -6,-0.2 2,-0.3 -0.997 11.8 175.7-146.2 141.6 39.6 10.7 75.5 90 90 A I E - F 0 82A 0 -8,-2.1 -8,-4.0 -2,-0.3 2,-0.5 -0.977 16.1-152.7-151.2 135.1 37.2 10.5 78.4 91 91 A K E + F 0 81A 34 -2,-0.3 -88,-1.6 -10,-0.3 2,-0.3 -0.944 29.4 159.3-110.2 125.0 36.0 7.6 80.5 92 92 A I E -AF 2 80A 0 -12,-2.5 -12,-3.4 -2,-0.5 -90,-0.2 -0.923 41.0 -96.5-142.2 164.7 32.5 7.9 82.1 93 93 A T E > - F 0 79A 6 -92,-2.8 3,-1.8 -2,-0.3 18,-0.5 -0.387 48.6 -98.2 -77.8 163.8 29.7 5.9 83.6 94 94 A S T 3 S+ 0 0 26 -16,-1.4 18,-2.4 1,-0.3 19,-0.2 0.703 120.1 45.9 -55.7 -25.6 26.7 5.1 81.4 95 95 A G T 3 S+ 0 0 52 16,-0.2 -1,-0.3 15,-0.2 2,-0.2 0.402 83.6 112.3-102.4 4.5 24.5 7.9 82.8 96 96 A H < - 0 0 8 -3,-1.8 15,-2.0 -95,-0.2 2,-0.4 -0.559 61.4-134.2 -78.0 141.6 27.0 10.7 82.6 97 97 A S E +K 110 0C 15 439,-0.4 439,-2.7 13,-0.2 2,-0.2 -0.797 23.8 178.2-105.0 138.5 26.3 13.4 80.1 98 98 A L E -KL 109 535C 0 11,-2.6 11,-3.2 -2,-0.4 2,-0.6 -0.667 40.2 -95.5-116.8 175.7 28.6 15.1 77.6 99 99 A F E +K 108 0C 14 435,-0.6 22,-2.9 -2,-0.2 9,-0.2 -0.867 47.2 159.7-109.4 122.8 27.3 17.7 75.1 100 100 A S E -K 107 0C 9 7,-2.5 7,-2.6 -2,-0.6 2,-0.4 -0.549 37.1 -98.8-120.1-173.7 26.3 16.9 71.6 101 101 A V E +K 106 0C 29 18,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.897 30.9 172.5-117.7 145.4 24.1 18.8 69.1 102 102 A R E > S-K 105 0C 157 3,-2.6 3,-0.6 -2,-0.4 353,-0.0 -0.843 76.3 -14.2-151.3 107.4 20.5 18.3 68.1 103 103 A N T 3 S- 0 0 80 -2,-0.3 3,-0.1 1,-0.2 352,-0.1 0.932 127.9 -50.1 64.5 50.5 18.8 20.8 65.8 104 104 A G T 3 S+ 0 0 0 1,-0.2 2,-0.3 386,-0.0 -1,-0.2 0.513 119.7 102.8 69.9 4.9 21.4 23.5 66.0 105 105 A E E < S-K 102 0C 93 -3,-0.6 -3,-2.6 387,-0.1 2,-0.6 -0.907 76.6-111.2-124.6 151.5 21.4 23.4 69.8 106 106 A L E +K 101 0C 39 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.669 43.8 171.8 -78.9 115.9 23.7 21.9 72.4 107 107 A V E -K 100 0C 24 -7,-2.6 -7,-2.5 -2,-0.6 2,-0.4 -0.780 34.7-102.6-120.0 167.2 21.9 19.0 74.2 108 108 A E E -K 99 0C 94 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.750 30.2-169.0 -92.3 133.3 23.2 16.5 76.7 109 109 A V E -K 98 0C 24 -11,-3.2 -11,-2.6 -2,-0.4 5,-0.1 -0.987 19.0-130.5-124.8 126.0 24.0 12.9 75.5 110 110 A T E >> -K 97 0C 36 -2,-0.5 3,-2.0 -13,-0.2 4,-1.8 -0.274 22.5-110.8 -72.6 158.1 24.6 10.2 78.1 111 111 A G T 34 S+ 0 0 0 -15,-2.0 -17,-0.2 -18,-0.5 -16,-0.2 0.853 119.2 51.1 -55.7 -37.8 27.6 7.9 78.0 112 112 A D T 34 S+ 0 0 73 -18,-2.4 -1,-0.3 1,-0.2 -18,-0.1 0.434 112.5 49.7 -81.7 4.1 25.5 4.9 77.1 113 113 A E T <4 S+ 0 0 123 -3,-2.0 -2,-0.2 -19,-0.2 -1,-0.2 0.712 82.8 103.7-109.3 -32.9 23.9 6.9 74.3 114 114 A L < - 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0 0 1 -2,-0.3 -84,-2.2 -84,-0.3 2,-0.5 -0.925 29.8-127.2-152.6 123.4 74.2 31.0 106.9 239 239 A E B >> -P 153 0F 96 -13,-0.4 3,-1.1 -2,-0.3 4,-0.6 -0.610 23.5-135.7 -74.3 122.2 74.0 27.4 105.6 240 240 A F G >4 S+ 0 0 0 -88,-1.8 3,-2.8 -2,-0.5 4,-0.4 0.906 101.3 51.6 -40.6 -63.9 70.5 26.9 104.3 241 241 A N G >4 S+ 0 0 35 -92,-0.6 3,-0.9 -89,-0.4 4,-0.3 0.789 98.7 66.8 -48.3 -32.7 70.0 23.5 105.8 242 242 A S G <4 S+ 0 0 35 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.704 116.3 25.9 -66.3 -17.3 71.1 24.8 109.2 243 243 A I G XX S+ 0 0 2 -3,-2.8 4,-3.2 -4,-0.6 3,-1.5 0.174 82.4 118.1-132.0 20.2 67.9 26.9 109.3 244 244 A R H <> S+ 0 0 29 -3,-0.9 4,-0.6 -4,-0.4 -2,-0.1 0.857 74.7 58.1 -52.9 -41.1 65.5 25.0 107.1 245 245 A D H 34 S+ 0 0 119 -4,-0.3 -1,-0.3 1,-0.2 -4,-0.0 0.057 123.7 19.0 -83.9 30.1 63.1 24.5 110.0 246 246 A A H X4 S+ 0 0 5 -3,-1.5 3,-2.7 -27,-0.0 4,-0.5 0.364 96.0 87.7-163.3 -30.0 62.7 28.2 110.7 247 247 A V H >< S+ 0 0 3 -4,-3.2 3,-1.9 1,-0.3 -3,-0.1 0.834 80.5 70.7 -52.5 -35.1 63.8 30.3 107.6 248 248 A G T 3< S+ 0 0 37 -4,-0.6 -1,-0.3 1,-0.3 -4,-0.1 0.657 91.9 61.8 -58.1 -12.6 60.3 30.0 106.3 249 249 A I T < S+ 0 0 40 -3,-2.7 -1,-0.3 -34,-0.1 -2,-0.2 0.764 74.3 113.1 -83.8 -28.6 59.4 32.3 109.1 250 250 A X S < S- 0 0 15 -3,-1.9 5,-0.0 -4,-0.5 -34,-0.0 -0.217 73.8-121.9 -48.8 118.5 61.6 35.1 107.8 251 251 A P >> - 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0 0 22 4,-1.3 3,-0.6 -2,-0.3 -110,-0.1 -0.621 48.0-116.1-109.6 172.0 76.8 28.8 97.1 263 263 A L T 3 S+ 0 0 49 -112,-0.5 -1,-0.1 1,-0.2 -111,-0.1 0.968 113.5 22.3 -69.8 -54.4 79.8 30.3 99.0 264 264 A N T 3 S+ 0 0 148 2,-0.1 2,-0.2 -3,-0.0 -1,-0.2 -0.298 124.8 50.7-109.2 47.1 82.2 30.4 96.0 265 265 A G S < S- 0 0 40 -3,-0.6 2,-0.2 -2,-0.0 75,-0.1 -0.753 98.8 -24.0-154.8-158.8 79.7 30.4 93.2 266 266 A F - 0 0 49 -2,-0.2 -4,-1.3 -5,-0.1 2,-0.4 -0.425 50.7-164.4 -69.8 134.2 76.5 32.0 91.8 267 267 A R E -R 261 0F 40 -6,-0.2 -6,-0.3 -2,-0.2 2,-0.3 -0.957 8.4-157.3-119.6 134.9 74.3 33.7 94.4 268 268 A X E -R 260 0F 13 -8,-3.3 -8,-2.9 -2,-0.4 2,-0.4 -0.742 24.3-105.8-114.9 163.0 70.7 34.7 93.5 269 269 A R E -R 259 0F 156 -2,-0.3 -10,-0.2 -10,-0.2 -132,-0.1 -0.708 31.0-137.7 -83.1 131.0 68.1 37.1 94.7 270 270 A K S S+ 0 0 0 -12,-0.6 -133,-2.7 -2,-0.4 2,-0.6 0.872 87.6 54.4 -57.7 -46.0 65.5 35.2 96.7 271 271 A L E S-O 136 0E 41 -135,-0.2 2,-0.4 -15,-0.1 -135,-0.2 -0.862 71.5-171.8-100.4 116.6 62.4 36.9 95.3 272 272 A I E -O 135 0E 19 -137,-1.8 -137,-1.9 -2,-0.6 2,-0.7 -0.859 18.0-138.5-107.9 137.9 62.1 36.8 91.5 273 273 A E E -O 134 0E 156 -2,-0.4 2,-0.3 -139,-0.2 -139,-0.2 -0.859 26.0-123.4 -98.6 120.1 59.6 38.7 89.4 274 274 A V + 0 0 12 -141,-2.4 2,-0.2 -2,-0.7 -141,-0.2 -0.454 44.4 162.2 -63.7 120.2 58.2 36.5 86.6 275 275 A D > - 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0 0 22 9,-0.1 2,-0.5 10,-0.0 9,-0.2 -0.881 24.2-114.4-134.1 162.4 77.5 31.0 81.1 330 330 A R E -X 337 0I 138 7,-2.7 7,-3.2 -2,-0.3 2,-0.2 -0.891 20.4-151.8-107.5 123.0 79.3 28.4 79.0 331 331 A R E -X 336 0I 93 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.568 21.5-176.2 -84.5 151.2 78.8 28.1 75.3 332 332 A G - 0 0 14 3,-2.0 3,-0.3 -2,-0.2 -1,-0.0 -0.741 42.1 -87.4-136.7-174.1 79.2 24.7 73.7 333 333 A R S S- 0 0 208 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.989 122.6 -2.4 -60.7 -58.7 79.2 22.9 70.3 334 334 A N S S+ 0 0 20 -3,-0.1 -25,-1.3 -19,-0.0 2,-0.3 -0.332 129.5 39.4-130.8 51.3 75.5 22.3 70.4 335 335 A Y E -W 308 0I 55 -3,-0.3 -3,-2.0 -27,-0.2 2,-0.4 -0.990 64.3-119.3-178.3 174.4 74.4 23.7 73.7 336 336 A V E -WX 307 331I 0 -29,-0.5 -29,-2.6 -2,-0.3 2,-0.5 -0.999 30.7-154.9-133.0 126.7 74.5 26.4 76.5 337 337 A E E -WX 306 330I 24 -7,-3.2 -7,-2.7 -2,-0.4 -31,-0.2 -0.911 17.4-167.9-116.7 134.4 75.5 25.3 80.0 338 338 A I E -W 305 0I 0 -33,-3.0 -33,-1.9 -2,-0.5 2,-0.9 -0.935 10.8-170.8-112.7 98.7 74.7 26.9 83.4 339 339 A P + 0 0 38 0, 0.0 2,-0.4 0, 0.0 -36,-0.2 -0.293 43.5 121.1 -87.9 49.3 77.1 25.1 85.8 340 340 A K >> - 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0 0 3 -43,-0.4 4,-1.9 1,-0.2 -41,-0.1 -0.787 58.1-169.4 -90.6 111.6 55.4 13.4 80.0 399 399 A E H > S+ 0 0 47 -2,-0.7 4,-1.9 -43,-0.3 -1,-0.2 0.754 88.9 60.8 -72.1 -20.4 51.6 13.0 79.8 400 400 A L H > S+ 0 0 41 -44,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.971 104.9 47.3 -66.5 -51.8 51.3 15.9 82.2 401 401 A L H > S+ 0 0 1 -43,-0.5 4,-3.7 1,-0.2 5,-0.3 0.907 108.2 54.9 -54.8 -47.7 53.1 18.2 79.8 402 402 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.929 112.2 43.8 -53.7 -47.5 50.9 17.1 76.9 403 403 A N H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.905 114.7 49.7 -64.6 -42.2 47.8 18.0 78.9 404 404 A Q H X S+ 0 0 15 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.919 107.9 52.9 -64.5 -44.6 49.4 21.3 80.1 405 405 A L H X S+ 0 0 0 -4,-3.7 4,-3.2 1,-0.2 5,-0.2 0.953 109.1 50.4 -54.6 -50.7 50.4 22.3 76.6 406 406 A V H X S+ 0 0 2 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.887 114.1 43.9 -54.7 -42.8 46.8 21.7 75.4 407 407 A L H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.891 114.0 50.1 -71.8 -37.8 45.4 23.9 78.2 408 408 A L H X S+ 0 0 0 -4,-3.3 4,-0.5 2,-0.2 -2,-0.2 0.890 111.7 48.5 -66.8 -40.0 48.1 26.5 77.8 409 409 A L H ><>S+ 0 0 0 -4,-3.2 5,-2.0 -5,-0.3 3,-1.9 0.959 109.9 51.1 -64.2 -50.5 47.4 26.7 74.0 410 410 A N H ><5S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -284,-1.5 0.878 104.1 60.1 -52.2 -40.9 43.6 26.9 74.6 411 411 A S H 3<5S+ 0 0 5 -4,-1.9 -1,-0.3 1,-0.3 -283,-0.2 0.663 106.2 46.5 -64.9 -17.3 44.3 29.8 77.0 412 412 A V T <<5S- 0 0 13 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.161 127.2 -92.3-111.1 17.5 45.9 31.9 74.3 413 413 A G T < 5S+ 0 0 18 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.496 80.0 135.3 90.7 4.6 43.3 31.3 71.6 414 414 A V < + 0 0 6 -5,-2.0 -1,-0.3 1,-0.2 -2,-0.1 -0.757 12.7 156.3 -88.3 126.7 44.7 28.2 69.8 415 415 A S + 0 0 3 -2,-0.5 2,-2.4 1,-0.1 33,-0.2 0.658 46.5 91.0-120.7 -27.2 41.9 25.7 69.2 416 416 A A + 0 0 0 32,-0.1 15,-2.3 31,-0.1 2,-0.3 -0.477 63.1 137.9 -72.8 76.9 43.1 23.6 66.2 417 417 A V E -Z 430 0J 2 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.934 30.7-175.1-127.1 148.3 44.9 21.1 68.4 418 418 A K E -Z 429 0J 72 11,-2.1 11,-2.5 -2,-0.3 2,-0.3 -0.934 8.4-148.8-137.8 162.8 45.0 17.3 68.2 419 419 A L E +Z 428 0J 16 -333,-3.0 2,-0.3 -2,-0.3 9,-0.2 -0.802 17.7 159.4-130.8 171.0 46.5 14.5 70.4 420 420 A G E -Z 427 0J 22 7,-1.1 7,-3.6 -2,-0.3 2,-0.3 -0.916 21.2-157.8 179.5 159.9 48.0 11.1 70.2 421 421 A H E +Z 426 0J 96 5,-0.3 5,-0.2 -2,-0.3 -2,-0.0 -0.863 25.0 160.3-151.6 109.3 50.2 8.7 72.2 422 422 A D - 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