==== 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 TRANSFERASE 15-JUL-07 2QMC . COMPND 2 MOLECULE: GAMMA-GLUTAMYLTRANSPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR J.J.BARYCKI,G.BOANCA,A.SAND . 1061 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 704 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 50 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 8 1 4 1 0 3 3 0 6 4 2 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 9 8 3 3 4 6 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 . 4 2 0 0 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 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 32 A I 0 0 108 0, 0.0 521,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.6 25.7 12.6 6.6 2 33 A K E +A 521 0A 70 519,-0.2 2,-0.3 5,-0.1 519,-0.2 -0.998 360.0 176.6-148.8 143.1 29.2 13.4 5.3 3 34 A N E -A 520 0A 19 517,-2.2 517,-3.0 -2,-0.3 5,-0.1 -0.980 9.8-179.9-148.0 139.0 31.9 16.0 5.8 4 35 A T S S+ 0 0 67 -2,-0.3 514,-0.2 515,-0.2 510,-0.0 0.242 77.4 39.5-121.0 9.9 35.5 16.3 4.3 5 36 A K S S+ 0 0 105 2,-0.2 346,-0.1 515,-0.1 513,-0.1 0.709 123.4 10.1-128.6 -48.9 36.8 19.5 5.9 6 37 A V S S- 0 0 10 1,-0.4 345,-0.6 344,-0.1 2,-0.2 0.516 95.4-120.0-120.5 -8.0 36.1 20.2 9.6 7 38 A G E -G 350 0B 0 343,-0.2 -1,-0.4 511,-0.1 2,-0.3 -0.653 33.5 -65.6 100.6-161.6 34.5 16.9 10.8 8 39 A L E -G 349 0B 7 341,-1.8 341,-2.4 -2,-0.2 2,-0.4 -0.986 22.0-166.5-139.2 142.2 31.1 16.1 12.3 9 40 A A E -G 348 0B 2 -2,-0.3 2,-0.4 339,-0.2 12,-0.3 -0.965 24.5-176.1-127.7 113.0 29.1 16.8 15.5 10 41 A L E +G 347 0B 8 337,-3.0 337,-2.1 -2,-0.4 2,-0.3 -0.938 11.9 151.7-126.0 129.4 26.2 14.5 15.8 11 42 A S - 0 0 1 -2,-0.4 335,-0.1 335,-0.2 6,-0.1 -0.843 55.2 -97.1-141.2 177.4 23.4 14.4 18.4 12 43 A S S S+ 0 0 11 -2,-0.3 334,-0.1 333,-0.2 512,-0.0 0.362 106.7 61.6 -82.7 3.0 19.7 13.3 18.7 13 44 A H S >> S- 0 0 25 1,-0.1 4,-2.5 32,-0.0 3,-0.7 -0.968 72.9-146.7-131.8 121.7 18.4 16.8 18.1 14 45 A P H 3> S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.809 99.7 55.6 -55.1 -34.0 19.1 18.7 14.8 15 46 A L H 3> S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.896 111.3 43.6 -66.8 -38.4 19.2 22.1 16.6 16 47 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.907 112.9 51.9 -71.2 -39.9 21.9 20.8 18.9 17 48 A S H X S+ 0 0 20 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.920 109.1 50.9 -60.6 -44.2 23.8 19.1 16.1 18 49 A E H X S+ 0 0 128 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.898 108.1 52.8 -59.3 -42.5 23.7 22.3 14.1 19 50 A I H X S+ 0 0 23 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.940 113.2 43.2 -58.9 -48.1 25.1 24.2 17.1 20 51 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.897 112.4 52.7 -63.3 -43.9 28.0 21.7 17.4 21 52 A Q H X S+ 0 0 29 -4,-3.0 4,-2.4 -12,-0.3 -2,-0.2 0.894 107.0 52.7 -61.8 -40.2 28.7 21.7 13.6 22 53 A K H X S+ 0 0 119 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.884 104.9 55.3 -63.5 -38.8 28.9 25.5 13.5 23 54 A V H <>S+ 0 0 9 -4,-1.6 5,-2.6 1,-0.2 -1,-0.2 0.922 109.9 47.1 -58.1 -44.8 31.5 25.4 16.3 24 55 A L H ><5S+ 0 0 1 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.914 110.0 52.0 -61.0 -44.4 33.5 23.1 14.1 25 56 A E H 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.831 106.4 55.3 -62.4 -31.8 33.0 25.3 11.0 26 57 A E T 3<5S- 0 0 117 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.398 127.8 -97.5 -84.9 3.6 34.3 28.3 13.1 27 58 A G T < 5S+ 0 0 33 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.470 75.9 142.2 99.4 2.4 37.5 26.5 13.9 28 59 A G < - 0 0 1 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.1 -0.356 48.0-118.8 -69.2 157.2 36.6 25.1 17.3 29 60 A N > - 0 0 15 321,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.302 33.8 -88.5 -90.7-176.3 37.9 21.6 18.3 30 61 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.810 127.9 51.6 -63.0 -30.3 35.9 18.5 19.1 31 62 A I H > S+ 0 0 1 88,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.941 108.0 51.3 -70.4 -48.1 35.8 19.5 22.8 32 63 A D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.934 114.0 44.5 -51.9 -49.4 34.5 23.0 22.0 33 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 110.5 55.1 -65.7 -40.6 31.7 21.5 19.9 34 65 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.879 108.4 48.1 -59.2 -37.7 31.0 18.9 22.6 35 66 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.929 110.2 50.9 -72.4 -42.3 30.5 21.5 25.3 36 67 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.908 112.6 48.0 -59.8 -40.0 28.1 23.6 23.0 37 68 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.912 105.5 57.9 -66.9 -42.4 26.1 20.5 22.3 38 69 A G H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 12,-0.4 0.897 113.2 39.3 -55.7 -45.6 25.9 19.5 26.1 39 70 A F H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 3,-0.2 0.906 113.6 54.3 -73.9 -39.0 24.3 22.9 26.9 40 71 A A H >X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 3,-1.4 0.920 107.3 50.0 -59.7 -43.8 22.1 23.0 23.8 41 72 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.3 8,-0.3 0.797 98.8 67.2 -67.4 -27.6 20.6 19.5 24.5 42 73 A A H 3< S+ 0 0 7 -4,-0.9 -1,-0.3 -5,-0.3 9,-0.2 0.724 113.4 32.6 -60.0 -22.7 19.8 20.7 28.1 43 74 A V H << S+ 0 0 0 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.849 127.0 34.9 -97.3 -49.5 17.3 23.0 26.4 44 75 A V H < S+ 0 0 0 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.545 123.2 39.2 -92.0 -7.7 16.0 21.2 23.3 45 76 A H >X + 0 0 40 -4,-2.0 3,-2.3 -5,-0.2 4,-2.2 -0.422 63.4 162.4-136.2 57.9 16.0 17.6 24.6 46 77 A P T 34 + 0 0 10 0, 0.0 332,-0.1 0, 0.0 320,-0.1 0.656 66.2 72.0 -64.3 -13.5 14.8 17.8 28.2 47 78 A A T 34 S- 0 0 11 318,-0.1 319,-2.1 319,-0.1 320,-0.5 0.794 130.8 -10.3 -61.6 -29.5 13.8 14.1 28.5 48 79 A A T <4 S+ 0 0 5 -3,-2.3 296,-0.2 -7,-0.2 315,-0.1 0.566 114.7 85.5-142.5 -47.8 17.6 13.4 28.5 49 80 A G < + 0 0 2 -4,-2.2 2,-0.3 -8,-0.3 -7,-0.1 -0.389 68.5 151.6 -58.9 148.0 19.8 16.4 27.7 50 81 A N - 0 0 6 -12,-0.4 -8,-0.2 1,-0.1 -7,-0.1 -0.998 63.6-149.8-167.7 157.4 20.2 18.2 31.0 51 82 A I S S+ 0 0 3 -2,-0.3 58,-0.5 -9,-0.2 57,-0.2 0.326 101.1 64.6-110.8 -8.4 21.9 20.3 33.5 52 83 A G S S+ 0 0 0 326,-0.3 328,-1.8 -3,-0.1 2,-0.1 0.321 104.1 43.4 -95.8 13.3 20.3 18.4 36.4 53 84 A G S S- 0 0 0 326,-0.2 54,-2.2 53,-0.1 55,-1.8 -0.045 71.7-134.5-124.9-139.7 22.1 15.0 35.6 54 85 A G E +H 361 0B 0 307,-2.0 307,-2.8 53,-0.2 2,-0.3 -0.954 21.6 155.5-168.4-173.7 25.5 13.7 34.7 55 86 A G E -HI 360 71B 0 16,-1.1 16,-2.5 -2,-0.3 2,-0.3 -0.969 34.2 -72.6 169.6-152.6 27.5 11.4 32.5 56 87 A F E -HI 359 70B 0 303,-2.6 303,-1.9 -2,-0.3 2,-0.4 -0.973 17.1-156.2-140.7 149.9 30.8 10.6 30.9 57 88 A A E -HI 358 69B 0 12,-1.9 12,-2.8 -2,-0.3 2,-0.5 -0.997 7.3-161.3-127.5 123.0 33.0 11.8 28.1 58 89 A V E -HI 357 68B 0 299,-2.7 299,-2.7 -2,-0.4 2,-0.4 -0.924 20.3-168.5-100.8 128.8 35.5 9.5 26.5 59 90 A I E -HI 356 67B 0 8,-2.9 8,-2.5 -2,-0.5 2,-0.5 -0.972 21.3-169.3-129.2 129.0 38.2 11.6 24.7 60 91 A H E -HI 355 66B 7 295,-2.5 295,-2.6 -2,-0.4 6,-0.2 -0.986 23.9-147.4-112.6 129.5 40.9 10.8 22.2 61 92 A L > - 0 0 12 4,-3.3 3,-2.5 -2,-0.5 293,-0.1 -0.586 23.9-114.5-101.2 154.6 43.3 13.6 21.6 62 93 A A T 3 S+ 0 0 59 1,-0.3 -1,-0.1 -2,-0.2 292,-0.1 0.809 115.6 61.2 -50.1 -34.3 45.2 14.6 18.5 63 94 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.474 122.2-104.3 -76.3 -2.9 48.5 13.8 20.3 64 95 A G S < S+ 0 0 34 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.285 78.9 129.4 101.8 -11.1 47.4 10.1 20.7 65 96 A E - 0 0 119 -5,-0.1 -4,-3.3 1,-0.0 -1,-0.3 -0.492 43.3-151.1 -82.0 149.8 46.4 10.2 24.4 66 97 A N E +I 60 0B 33 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.891 17.5 172.5-115.5 146.3 43.1 8.9 25.6 67 98 A V E -I 59 0B 22 -8,-2.5 -8,-2.9 -2,-0.3 2,-0.4 -0.982 19.9-145.6-147.6 159.9 41.2 10.2 28.7 68 99 A A E -IJ 58 233B 0 165,-2.1 165,-2.6 -2,-0.3 2,-0.6 -0.977 8.8-151.6-126.5 140.2 37.8 9.7 30.4 69 100 A L E -IJ 57 232B 0 -12,-2.8 -12,-1.9 -2,-0.4 2,-0.7 -0.969 5.1-157.3-115.2 118.0 35.9 12.3 32.3 70 101 A D E +IJ 56 231B 0 161,-3.0 161,-2.2 -2,-0.6 -14,-0.2 -0.877 27.2 156.9 -91.9 106.0 33.6 11.1 35.0 71 102 A F E +I 55 0B 0 -16,-2.5 -16,-1.1 -2,-0.7 36,-0.4 -0.235 27.8 147.3-117.4 41.9 30.9 13.8 35.7 72 103 A R - 0 0 0 -18,-0.3 33,-0.1 1,-0.1 -18,-0.1 -0.444 55.4 -98.3 -72.9 146.6 28.6 11.2 37.2 73 104 A E - 0 0 0 -2,-0.1 2,-0.4 31,-0.1 -1,-0.1 -0.269 35.3-136.0 -62.8 152.4 26.2 12.3 39.9 74 105 A K B -L 105 0C 13 31,-1.0 31,-3.1 337,-0.2 337,-0.2 -0.893 21.0-108.2-108.4 143.4 27.2 11.6 43.5 75 106 A A - 0 0 0 335,-2.8 334,-2.2 -2,-0.4 29,-0.1 -0.453 52.6-100.1 -59.8 137.2 25.0 10.2 46.3 76 107 A P > - 0 0 1 0, 0.0 3,-2.0 0, 0.0 333,-0.3 -0.117 28.0-105.4 -58.4 160.9 24.4 13.2 48.7 77 108 A L T 3 S+ 0 0 58 1,-0.3 331,-0.2 331,-0.2 143,-0.1 0.798 122.4 50.2 -55.1 -33.4 26.3 13.5 51.9 78 109 A K T 3 S+ 0 0 133 141,-0.3 -1,-0.3 329,-0.1 142,-0.1 0.366 84.4 118.8 -90.3 3.5 23.1 12.4 53.8 79 110 A A < - 0 0 5 -3,-2.0 329,-0.5 328,-0.1 2,-0.3 -0.364 43.2-170.0 -68.7 147.4 22.5 9.3 51.7 80 111 A T > - 0 0 82 327,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.969 35.6-106.5-138.1 157.2 22.6 6.0 53.4 81 112 A K T 3 S+ 0 0 97 -2,-0.3 325,-0.4 1,-0.3 3,-0.3 0.859 119.4 33.7 -46.3 -47.3 22.6 2.4 52.3 82 113 A N T > S+ 0 0 82 1,-0.2 3,-2.6 2,-0.1 -1,-0.3 0.163 79.0 122.6-101.5 20.2 19.0 1.7 53.3 83 114 A M T < S+ 0 0 31 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.694 75.9 49.0 -60.5 -21.4 17.6 5.2 52.6 84 115 A F T 3 S+ 0 0 1 -3,-0.3 8,-2.5 304,-0.2 -1,-0.3 0.302 105.2 77.2-100.3 9.8 14.9 3.9 50.1 85 116 A L B < S-M 91 0D 22 -3,-2.6 6,-0.2 6,-0.2 2,-0.1 -0.795 75.3-123.8-115.5 156.7 13.8 1.2 52.6 86 117 A D > - 0 0 62 4,-2.1 3,-1.9 -2,-0.3 -1,-0.1 -0.277 47.9 -81.8 -85.4-176.1 11.7 1.1 55.7 87 118 A K T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.772 132.2 48.7 -53.6 -32.6 12.7 -0.1 59.1 88 119 A Q T 3 S- 0 0 142 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.406 122.7-101.9 -93.3 0.3 12.0 -3.7 58.1 89 120 A G S < S+ 0 0 19 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.524 71.5 147.1 89.1 9.0 13.9 -3.5 54.7 90 121 A N - 0 0 81 1,-0.1 -4,-2.1 3,-0.0 -1,-0.3 -0.590 54.3-110.2 -78.3 136.2 10.8 -3.0 52.5 91 122 A V B -M 85 0D 49 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.414 22.8-133.7 -60.9 131.2 11.2 -0.9 49.4 92 123 A V > - 0 0 54 -8,-2.5 3,-2.0 -2,-0.1 4,-0.4 -0.854 39.4-109.5 -83.9 110.7 9.3 2.4 49.7 93 124 A P T 3 S- 0 0 112 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 -0.132 87.5 -8.1 -56.5 132.3 7.6 2.4 46.2 94 125 A K T >> S+ 0 0 113 1,-0.1 4,-3.0 3,-0.0 3,-1.2 0.404 93.8 120.8 67.0 3.5 8.8 5.0 43.7 95 126 A L T <4 S+ 0 0 53 -3,-2.0 -1,-0.1 1,-0.3 6,-0.1 0.877 80.7 41.8 -67.2 -33.2 11.0 6.7 46.3 96 127 A S T 34 S+ 0 0 6 -4,-0.4 288,-0.5 -12,-0.2 -1,-0.3 0.467 125.0 39.2 -84.2 -1.0 14.2 6.0 44.2 97 128 A E T <4 S+ 0 0 46 -3,-1.2 2,-0.5 1,-0.3 -2,-0.2 0.776 108.7 45.7-117.7 -47.5 12.2 6.9 41.0 98 129 A D S < S- 0 0 14 -4,-3.0 -1,-0.3 271,-0.1 3,-0.2 -0.934 97.6 -4.0-112.7 127.4 9.9 9.9 41.4 99 130 A G S > S- 0 0 3 269,-2.4 3,-0.8 -2,-0.5 271,-0.2 -0.386 97.0 -34.4 98.6-167.8 10.7 13.2 43.1 100 131 A Y G > S+ 0 0 8 116,-0.3 3,-1.1 1,-0.2 119,-0.4 0.771 122.1 55.9 -75.0 -29.4 13.4 14.9 45.1 101 132 A L G 3 S+ 0 0 32 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.692 96.4 69.0 -74.3 -16.4 15.0 12.1 47.1 102 133 A A G < S+ 0 0 0 -3,-0.8 281,-2.3 -8,-0.1 282,-0.4 0.557 83.2 100.8 -75.8 -7.7 15.7 10.2 43.8 103 134 A A < - 0 0 3 -3,-1.1 2,-0.2 278,-0.2 116,-0.2 -0.634 55.8-157.4 -92.2 134.4 18.3 12.7 42.7 104 135 A G - 0 0 0 -2,-0.3 276,-0.3 -29,-0.1 -29,-0.2 -0.591 49.2 -76.5 -90.2 165.2 22.1 12.5 43.0 105 136 A V B -L 74 0C 2 -31,-3.1 -31,-1.0 -2,-0.2 -1,-0.1 -0.490 59.9-111.4 -64.3 119.7 24.2 15.6 43.0 106 137 A P + 0 0 2 0, 0.0 -52,-0.2 0, 0.0 4,-0.2 -0.289 37.2 177.4 -61.4 135.9 24.3 16.9 39.4 107 138 A G > + 0 0 0 -54,-2.2 4,-2.5 -36,-0.4 -53,-0.2 0.529 53.7 93.6-109.1 -12.0 27.6 16.7 37.5 108 139 A T H > S+ 0 0 0 -55,-1.8 4,-2.9 1,-0.2 5,-0.2 0.894 87.5 45.8 -56.5 -50.5 26.9 17.9 34.0 109 140 A V H > S+ 0 0 0 -58,-0.5 4,-2.4 1,-0.2 5,-0.2 0.932 114.9 48.1 -60.0 -45.8 27.8 21.6 34.5 110 141 A A H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 112.6 50.1 -59.4 -41.0 31.0 20.7 36.3 111 142 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.933 108.9 50.6 -67.0 -44.5 31.8 18.2 33.5 112 143 A M H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.945 114.6 43.9 -56.4 -49.8 31.2 20.7 30.7 113 144 A E H X S+ 0 0 47 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.904 111.7 54.3 -63.4 -40.2 33.5 23.3 32.3 114 145 A A H X S+ 0 0 19 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.925 110.6 43.0 -64.3 -45.5 36.2 20.7 33.2 115 146 A M H X>S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.6 0.893 114.9 51.6 -70.4 -33.2 36.6 19.4 29.7 116 147 A L H X5S+ 0 0 12 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.940 110.8 47.0 -65.0 -46.0 36.5 22.9 28.2 117 148 A K H <5S+ 0 0 165 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.887 119.5 39.5 -65.2 -37.2 39.2 24.2 30.5 118 149 A K H <5S+ 0 0 115 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.892 137.5 6.3 -80.3 -39.9 41.5 21.3 30.0 119 150 A Y H <5S+ 0 0 49 -4,-2.5 -88,-0.3 -5,-0.2 -3,-0.2 0.499 102.6 98.1-128.0 -6.0 41.2 20.6 26.3 120 151 A G << - 0 0 23 -4,-1.8 -90,-0.1 -5,-0.6 -4,-0.0 -0.176 49.1-158.0 -83.3 173.0 39.0 23.3 24.7 121 152 A T + 0 0 100 -92,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.488 69.4 67.1-123.2 -16.0 40.0 26.5 22.8 122 153 A K S S- 0 0 58 -93,-0.1 2,-0.3 -6,-0.1 -2,-0.1 -0.590 84.5 -97.7-109.3 166.2 36.9 28.7 23.2 123 154 A K >> - 0 0 148 -2,-0.2 4,-2.1 1,-0.1 3,-0.8 -0.646 19.9-133.2 -83.5 141.9 35.2 30.4 26.2 124 155 A L H 3> S+ 0 0 19 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.897 106.5 63.3 -54.4 -46.5 32.2 28.9 28.0 125 156 A S H 34 S+ 0 0 31 68,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.802 109.8 39.1 -50.6 -36.4 30.5 32.2 27.8 126 157 A Q H X4 S+ 0 0 95 -3,-0.8 3,-0.8 2,-0.2 -1,-0.2 0.887 113.5 52.4 -80.0 -44.4 30.5 32.0 24.0 127 158 A L H 3< S+ 0 0 7 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.711 109.2 51.3 -66.5 -22.7 29.7 28.3 23.6 128 159 A I T 3X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 3,-0.4 0.623 86.1 87.2 -88.3 -15.5 26.7 28.5 25.9 129 160 A D H <> S+ 0 0 62 -3,-0.8 4,-2.7 -4,-0.3 5,-0.2 0.889 84.8 53.1 -54.6 -47.5 25.1 31.4 24.0 130 161 A P H > S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.893 110.2 48.6 -57.9 -38.3 23.2 29.2 21.5 131 162 A A H > S+ 0 0 1 -3,-0.4 4,-2.2 -4,-0.3 -2,-0.2 0.913 110.5 50.5 -62.6 -46.6 21.6 27.3 24.3 132 163 A I H X S+ 0 0 16 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.919 108.3 53.4 -58.2 -44.4 20.6 30.5 26.1 133 164 A K H X S+ 0 0 143 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.906 109.9 47.4 -59.5 -43.3 19.0 31.8 22.9 134 165 A L H X S+ 0 0 25 -4,-1.8 4,-1.3 -5,-0.2 48,-0.2 0.859 114.8 46.7 -64.6 -37.1 17.0 28.6 22.6 135 166 A A H < S+ 0 0 0 -4,-2.2 47,-2.5 2,-0.2 -2,-0.2 0.937 118.9 39.6 -67.6 -48.6 15.9 28.8 26.2 136 167 A E H < S+ 0 0 74 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.892 128.8 29.0 -69.5 -43.0 15.0 32.5 26.1 137 168 A N H < S- 0 0 95 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.582 105.3-134.2-100.8 -14.0 13.4 32.6 22.6 138 169 A G < - 0 0 14 -4,-1.3 2,-0.3 -5,-0.3 43,-0.2 0.053 9.5-126.4 89.4 165.5 12.0 29.1 22.4 139 170 A Y E -N 180 0E 8 41,-1.2 41,-3.0 -4,-0.1 2,-0.3 -0.957 33.7 -87.7-144.7 166.3 11.9 26.2 19.9 140 171 A A E -N 179 0E 59 -2,-0.3 2,-0.3 39,-0.2 39,-0.2 -0.581 37.5-119.6 -83.7 133.8 9.1 24.1 18.4 141 172 A I - 0 0 3 37,-2.3 36,-3.0 -2,-0.3 37,-0.1 -0.521 32.2-134.6 -63.6 128.7 8.0 20.9 20.2 142 173 A S > - 0 0 49 -2,-0.3 4,-2.2 34,-0.2 5,-0.1 -0.296 20.6-107.3 -80.2 171.5 8.6 17.9 17.9 143 174 A Q H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 33,-0.1 0.945 122.4 46.7 -63.4 -45.5 6.0 15.1 17.3 144 175 A R H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 110.7 52.7 -64.2 -40.7 8.0 12.7 19.4 145 176 A Q H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.879 104.9 54.6 -63.1 -38.1 8.5 15.3 22.1 146 177 A A H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.926 111.0 48.1 -59.9 -39.5 4.7 15.8 22.3 147 178 A E H X S+ 0 0 76 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.931 112.4 45.0 -66.8 -48.1 4.4 12.1 22.8 148 179 A T H X S+ 0 0 14 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.864 113.1 51.6 -69.9 -32.1 7.0 11.7 25.5 149 180 A L H X S+ 0 0 8 -4,-2.5 4,-0.6 -5,-0.2 3,-0.3 0.922 109.7 50.1 -66.9 -42.6 5.7 14.8 27.4 150 181 A K H >< S+ 0 0 142 -4,-2.1 3,-1.1 -5,-0.2 4,-0.3 0.910 109.1 51.8 -58.7 -42.3 2.2 13.3 27.3 151 182 A E H 3< S+ 0 0 140 -4,-2.2 3,-0.2 1,-0.3 -1,-0.2 0.755 110.5 48.9 -67.9 -25.7 3.6 10.0 28.7 152 183 A A H >X S+ 0 0 5 -4,-1.2 4,-2.4 -3,-0.3 3,-1.1 0.490 81.6 103.6 -88.2 -6.4 5.2 11.9 31.5 153 184 A R H < S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 7,-0.3 0.868 101.6 65.9 -56.8 -38.8 5.0 16.0 36.2 157 188 A L T 3< S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.715 89.7 66.6 -60.8 -21.4 1.6 16.6 37.9 158 189 A K T < S+ 0 0 108 -3,-1.3 2,-0.5 -4,-0.3 -1,-0.3 0.689 99.1 55.9 -69.6 -21.3 3.2 15.4 41.2 159 190 A Y <> - 0 0 33 -3,-2.1 4,-2.0 -4,-0.3 5,-0.2 -0.956 65.9-151.7-125.4 122.0 5.5 18.5 41.4 160 191 A S H > S+ 0 0 61 -2,-0.5 4,-2.0 1,-0.2 5,-0.1 0.865 99.0 56.7 -56.6 -37.6 4.5 22.1 41.4 161 192 A S H > S+ 0 0 0 210,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.940 110.1 43.3 -59.0 -47.8 7.8 23.1 39.8 162 193 A S H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.795 108.2 58.8 -70.8 -29.3 7.4 20.8 36.8 163 194 A K H X S+ 0 0 58 -4,-2.0 4,-0.8 -7,-0.3 -1,-0.2 0.903 108.8 46.8 -63.5 -40.2 3.8 21.8 36.4 164 195 A K H < S+ 0 0 114 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.882 122.1 33.9 -63.5 -42.6 5.1 25.4 36.0 165 196 A Y H < S+ 0 0 26 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.2 0.826 121.8 39.0 -88.8 -34.2 7.8 24.4 33.5 166 197 A F H < S+ 0 0 5 -4,-2.9 8,-0.5 -5,-0.1 2,-0.3 0.355 106.9 61.3-108.7 3.4 6.5 21.5 31.4 167 198 A F E < S-O 173 0F 10 -4,-0.8 6,-0.2 -5,-0.2 2,-0.2 -0.914 75.6-120.4-121.0 158.1 2.8 22.5 30.9 168 199 A K E >> -O 172 0F 68 4,-2.9 4,-1.9 -2,-0.3 3,-0.9 -0.486 62.8 -58.0 -83.4 164.3 1.0 25.4 29.2 169 200 A K T 34 S+ 0 0 202 1,-0.3 -1,-0.2 2,-0.2 3,-0.0 -0.130 132.2 33.6 -46.7 131.5 -1.3 27.6 31.3 170 201 A G T 34 S- 0 0 60 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.538 130.2 -81.0 93.3 11.6 -4.1 25.5 32.8 171 202 A H T <4 S+ 0 0 83 -3,-0.9 2,-0.3 1,-0.2 -2,-0.2 0.883 81.9 163.5 55.4 45.0 -1.7 22.5 33.2 172 203 A L E < -O 168 0F 98 -4,-1.9 -4,-2.9 1,-0.1 -1,-0.2 -0.699 41.4-107.6 -93.9 141.3 -2.2 21.6 29.5 173 204 A D E -O 167 0F 34 -2,-0.3 -6,-0.1 -6,-0.2 2,-0.1 -0.402 34.7-111.5 -60.8 139.8 0.2 19.3 27.6 174 205 A Y - 0 0 30 -8,-0.5 2,-0.3 -29,-0.1 -24,-0.1 -0.488 36.4-147.0 -64.1 143.0 2.5 20.9 25.0 175 206 A Q > - 0 0 102 -2,-0.1 3,-2.2 1,-0.1 -34,-0.3 -0.786 31.0 -75.3-112.5 159.7 1.4 19.9 21.5 176 207 A E T 3 S+ 0 0 99 -2,-0.3 -34,-0.2 1,-0.3 -33,-0.1 -0.275 119.6 19.4 -52.4 132.4 3.5 19.4 18.3 177 208 A G T 3 S+ 0 0 51 -36,-3.0 -1,-0.3 1,-0.3 -35,-0.1 0.249 89.0 135.4 90.9 -12.7 4.6 22.7 16.9 178 209 A D < - 0 0 43 -3,-2.2 -37,-2.3 -37,-0.1 2,-0.6 -0.367 62.5-112.8 -66.0 149.3 4.0 24.7 20.1 179 210 A L E -N 140 0E 107 -39,-0.2 2,-0.7 -3,-0.1 -39,-0.2 -0.783 29.1-154.2 -87.9 120.2 6.8 27.2 21.0 180 211 A F E -N 139 0E 4 -41,-3.0 -41,-1.2 -2,-0.6 2,-0.4 -0.850 13.2-173.6-101.5 115.5 8.4 26.0 24.2 181 212 A V - 0 0 53 -2,-0.7 2,-0.4 -43,-0.2 -45,-0.2 -0.893 11.7-170.5-114.9 134.7 10.1 28.8 26.1 182 213 A Q > + 0 0 13 -47,-2.5 4,-2.2 -2,-0.4 5,-0.2 -0.635 15.5 163.1-128.2 75.9 12.2 28.3 29.2 183 214 A K H > S+ 0 0 95 -2,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.890 78.4 49.2 -65.0 -44.4 12.9 31.7 31.0 184 215 A D H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 111.1 51.8 -63.9 -36.2 14.0 30.3 34.3 185 216 A L H > S+ 0 0 4 2,-0.2 4,-3.0 191,-0.2 -2,-0.2 0.926 107.7 51.6 -63.6 -41.9 16.4 27.9 32.5 186 217 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.892 107.4 54.4 -61.0 -37.8 17.8 30.8 30.6 187 218 A K H X S+ 0 0 138 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.942 110.8 45.1 -57.0 -48.2 18.3 32.5 34.0 188 219 A T H X S+ 0 0 2 -4,-2.2 4,-1.7 187,-0.3 -2,-0.2 0.927 113.1 49.3 -63.6 -44.6 20.3 29.5 35.2 189 220 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.849 107.7 55.5 -64.9 -34.9 22.3 29.3 32.0 190 221 A N H X S+ 0 0 58 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.871 103.9 53.5 -66.7 -35.7 23.1 33.0 32.2 191 222 A Q H X S+ 0 0 63 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.893 111.2 47.2 -61.4 -39.7 24.6 32.5 35.7 192 223 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 7,-0.2 -2,-0.2 0.891 111.4 50.6 -69.5 -40.2 26.8 29.7 34.2 193 224 A K H < S+ 0 0 53 -4,-2.5 -68,-0.2 1,-0.2 -2,-0.2 0.923 119.2 37.0 -57.0 -46.4 27.7 32.1 31.3 194 225 A T H < S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.802 134.5 19.8 -79.0 -37.7 28.7 34.9 33.7 195 226 A L H >< S- 0 0 82 -4,-2.4 3,-0.6 1,-0.3 -3,-0.2 0.457 94.0-133.5-119.8 -4.3 30.2 32.9 36.6 196 227 A G T >< S- 0 0 11 -4,-2.1 3,-2.2 -5,-0.2 -1,-0.3 -0.445 70.3 -22.6 77.2-159.1 31.2 29.5 35.1 197 228 A A T >> S+ 0 0 8 1,-0.3 3,-2.5 2,-0.2 4,-2.2 0.823 132.1 68.9 -57.8 -31.6 30.3 26.3 37.0 198 229 A K H <> S+ 0 0 121 -3,-0.6 4,-1.4 1,-0.3 -1,-0.3 0.717 85.7 70.9 -63.4 -17.1 30.1 28.3 40.3 199 230 A G H <4 S+ 0 0 2 -3,-2.2 6,-0.4 -7,-0.2 -1,-0.3 0.646 111.3 29.8 -67.9 -17.2 27.0 29.9 38.7 200 231 A F H <4 S+ 0 0 0 -3,-2.5 -2,-0.2 -4,-0.2 -1,-0.1 0.762 124.7 42.7-103.4 -42.8 25.3 26.5 39.2 201 232 A Y H < S+ 0 0 16 -4,-2.2 2,-0.2 24,-0.1 -3,-0.2 0.515 121.6 24.5 -90.1 -8.3 27.0 25.0 42.3 202 233 A Q S >X S+ 0 0 105 -4,-1.4 4,-1.4 -5,-0.3 3,-0.6 -0.756 99.6 27.0-137.9-178.2 27.1 28.2 44.4 203 234 A G H 3> S- 0 0 56 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 -0.128 115.6 -12.7 63.3-147.2 25.2 31.5 44.8 204 235 A Q H 3> S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.849 135.8 50.4 -63.7 -36.7 21.6 32.0 43.8 205 236 A V H <> S+ 0 0 3 -3,-0.6 4,-2.7 -6,-0.4 -1,-0.2 0.934 110.9 49.3 -69.4 -42.6 21.1 28.7 41.9 206 237 A A H X S+ 0 0 2 -4,-1.4 4,-2.8 -8,-0.2 -1,-0.2 0.884 110.3 52.8 -58.5 -42.6 22.6 26.7 44.8 207 238 A E H X S+ 0 0 61 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.930 109.5 47.4 -55.5 -50.3 20.2 28.6 47.1 208 239 A L H X S+ 0 0 42 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.914 113.7 48.9 -60.8 -42.2 17.2 27.6 44.9 209 240 A I H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.972 114.1 44.2 -58.7 -55.3 18.4 24.0 44.8 210 241 A E H X S+ 0 0 43 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.911 116.7 45.3 -60.3 -43.9 19.0 23.7 48.6 211 242 A K H X S+ 0 0 97 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.868 112.4 49.1 -73.8 -35.2 15.7 25.4 49.5 212 243 A D H X S+ 0 0 10 -4,-2.2 4,-1.3 -5,-0.3 6,-0.2 0.883 111.2 52.8 -69.0 -36.1 13.5 23.5 47.0 213 244 A M H <>S+ 0 0 1 -4,-2.2 5,-3.0 -5,-0.3 3,-0.5 0.949 109.2 47.7 -61.5 -47.3 15.1 20.3 48.3 214 245 A K H ><5S+ 0 0 183 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.916 109.9 52.9 -63.3 -43.0 14.3 21.1 51.9 215 246 A K H 3<5S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 117.4 38.5 -57.7 -32.2 10.7 22.0 51.0 216 247 A N T 3<5S- 0 0 58 -4,-1.3 -116,-0.3 -3,-0.5 -1,-0.2 0.200 117.9 -96.5-113.4 12.4 10.1 18.7 49.3 217 248 A G T < 5S+ 0 0 53 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.2 0.753 77.5 136.1 80.3 21.7 12.0 16.0 51.3 218 249 A G < - 0 0 11 -5,-3.0 -1,-0.2 -6,-0.2 -117,-0.2 -0.498 46.1-149.4 -90.6 173.3 15.1 16.0 49.3 219 250 A I + 0 0 39 -119,-0.4 2,-0.3 -116,-0.2 -141,-0.3 0.385 51.7 121.4-129.7 2.2 18.6 16.0 50.9 220 251 A I - 0 0 4 -120,-0.2 2,-0.2 -11,-0.1 -7,-0.2 -0.538 40.8-179.5 -73.9 129.7 20.9 17.9 48.5 221 252 A T > - 0 0 20 -2,-0.3 4,-2.2 -8,-0.1 5,-0.2 -0.737 46.1 -97.2-121.5 171.9 22.4 20.9 50.2 222 253 A K H > S+ 0 0 80 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.856 124.9 57.8 -55.1 -36.6 24.8 23.7 49.4 223 254 A E H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.920 105.6 49.1 -63.0 -41.8 27.5 21.6 50.9 224 255 A D H 4 S+ 0 0 2 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.931 113.8 46.3 -57.2 -46.9 26.8 18.8 48.4 225 256 A L H >< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.926 111.1 50.5 -67.1 -42.3 26.9 21.3 45.5 226 257 A A H 3< S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.764 112.8 48.1 -68.5 -23.0 30.1 23.0 46.7 227 258 A S T 3< S+ 0 0 46 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.371 77.7 126.5-100.2 5.5 31.8 19.6 47.0 228 259 A Y < - 0 0 22 -3,-1.3 2,-0.4 -4,-0.4 -155,-0.1 -0.471 39.1-176.3 -63.3 130.4 30.8 18.2 43.7 229 260 A N - 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