==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-DEC-08 3FNM . COMPND 2 MOLECULE: GAMMA-GLUTAMYLTRANSPEPTIDASE (GGT) LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR K.WILLIAMS,S.CULLATI,A.SAND,E.I.BITEROVA,J.J.BARYCKI . 1066 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 712 66.8 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 . 52 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 7 0 4 2 0 3 2 0 6 4 5 2 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 7 5 2 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 31 A P 0 0 79 0, 0.0 523,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 164.9 32.8 -6.4 14.6 2 32 A I E -A 523 0A 70 521,-2.0 521,-2.4 523,-0.0 2,-0.4 -0.384 360.0-151.7 -53.9 145.1 32.9 -10.1 15.8 3 33 A K E +A 522 0A 87 519,-0.2 2,-0.3 -2,-0.1 519,-0.2 -0.990 26.8 169.3-137.6 140.7 29.3 -11.4 15.7 4 34 A N E +A 521 0A 32 517,-2.5 517,-3.5 -2,-0.4 5,-0.1 -0.976 9.1 173.1-146.1 138.5 27.1 -14.0 17.4 5 35 A T S S+ 0 0 94 -2,-0.3 514,-0.1 515,-0.2 -1,-0.0 0.160 77.8 39.3-125.9 10.5 23.4 -14.6 17.2 6 36 A K S S+ 0 0 161 2,-0.2 513,-0.1 515,-0.1 -2,-0.1 0.635 124.2 8.5-121.9 -68.5 23.0 -17.8 19.2 7 37 A V S S- 0 0 18 1,-0.3 345,-0.6 344,-0.1 2,-0.2 0.477 95.0-121.2-104.7 -5.1 25.1 -18.4 22.4 8 38 A G E -G 351 0B 0 343,-0.2 -1,-0.3 344,-0.1 2,-0.3 -0.619 34.6 -66.3 95.9-163.9 26.7 -14.9 22.9 9 39 A L E -G 350 0B 5 341,-1.4 341,-2.3 -2,-0.2 2,-0.4 -0.977 22.8-166.1-134.2 146.0 30.4 -14.0 23.0 10 40 A A E -G 349 0B 2 -2,-0.3 2,-0.5 339,-0.2 12,-0.3 -0.975 25.2-176.2-129.8 109.5 33.4 -14.6 25.3 11 41 A L E +G 348 0B 8 337,-2.9 337,-2.1 -2,-0.4 2,-0.2 -0.957 11.3 153.4-120.4 126.9 36.2 -12.1 24.4 12 42 A S - 0 0 3 -2,-0.5 335,-0.1 335,-0.2 6,-0.1 -0.812 55.3 -97.7-136.7 179.9 39.7 -11.8 25.8 13 43 A S S S+ 0 0 18 -2,-0.2 334,-0.1 333,-0.2 494,-0.0 0.340 106.1 62.8 -83.5 3.5 43.2 -10.6 24.8 14 44 A H S > S- 0 0 20 1,-0.1 4,-2.6 32,-0.0 3,-0.3 -0.975 71.5-147.9-132.3 120.9 44.3 -14.1 23.9 15 45 A P H > S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.807 99.7 54.0 -56.0 -32.5 42.7 -16.1 21.1 16 46 A L H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.932 112.4 44.1 -67.7 -41.2 43.3 -19.5 22.8 17 47 A A H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.903 114.0 49.5 -68.6 -41.3 41.5 -18.2 26.0 18 48 A S H X S+ 0 0 19 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.915 110.0 51.6 -61.0 -44.6 38.7 -16.6 24.0 19 49 A E H X S+ 0 0 124 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.869 109.3 50.8 -60.9 -39.4 38.2 -19.9 22.1 20 50 A I H X S+ 0 0 21 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.924 112.8 44.9 -64.3 -44.5 38.0 -21.7 25.4 21 51 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.880 112.3 52.3 -64.7 -37.9 35.4 -19.3 26.7 22 52 A Q H X S+ 0 0 29 -4,-2.8 4,-2.4 -12,-0.3 -2,-0.2 0.901 106.1 53.6 -67.3 -41.8 33.5 -19.5 23.5 23 53 A K H X S+ 0 0 111 -4,-2.2 4,-2.4 2,-0.2 6,-0.2 0.910 104.3 55.9 -57.2 -46.0 33.4 -23.3 23.5 24 54 A V H <>S+ 0 0 11 -4,-1.7 5,-2.9 1,-0.2 -1,-0.2 0.932 110.2 45.9 -54.0 -46.3 31.9 -23.2 27.1 25 55 A L H ><5S+ 0 0 4 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.908 112.0 50.5 -60.8 -44.8 29.1 -21.0 25.6 26 56 A E H 3<5S+ 0 0 128 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.819 108.4 53.9 -61.7 -31.5 28.6 -23.4 22.6 27 57 A E T 3<5S- 0 0 128 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.304 128.8 -93.0 -91.9 8.7 28.5 -26.3 25.0 28 58 A G T < 5S+ 0 0 39 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.499 78.2 138.6 97.6 6.5 25.6 -24.8 27.1 29 59 A G < - 0 0 0 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.1 -0.397 48.7-120.8 -74.4 160.3 27.6 -23.1 29.9 30 60 A N > - 0 0 14 321,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.347 35.3 -87.7 -92.9-178.4 26.5 -19.6 31.0 31 61 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.809 128.3 50.2 -57.8 -34.0 28.5 -16.4 31.1 32 62 A I H > S+ 0 0 0 88,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 108.5 52.5 -73.4 -43.5 30.0 -17.1 34.5 33 63 A D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.936 112.3 45.1 -51.7 -53.4 31.0 -20.6 33.4 34 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.912 110.8 54.1 -60.8 -42.9 32.8 -19.2 30.4 35 65 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.864 107.7 49.8 -62.8 -35.5 34.4 -16.4 32.5 36 66 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.947 111.1 49.2 -66.7 -46.2 35.9 -19.0 35.0 37 67 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.924 112.9 48.1 -58.1 -45.9 37.3 -21.0 32.1 38 68 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.909 106.3 56.7 -59.7 -42.1 38.8 -17.9 30.6 39 69 A G H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 12,-0.4 0.918 113.7 39.4 -62.3 -41.4 40.3 -16.7 34.0 40 70 A F H < S+ 0 0 1 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.876 113.7 54.7 -72.5 -38.2 42.3 -20.0 34.3 41 71 A A H >X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 3,-1.7 0.940 106.9 50.3 -59.1 -46.6 43.2 -20.1 30.6 42 72 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.3 8,-0.3 0.790 99.2 66.4 -66.4 -26.7 44.7 -16.7 30.7 43 73 A A H 3< S+ 0 0 7 -4,-0.9 -1,-0.3 -5,-0.3 9,-0.2 0.666 114.1 32.1 -61.3 -16.9 46.8 -17.7 33.8 44 74 A V H <4 S+ 0 0 0 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.821 127.5 35.4-105.7 -48.9 48.6 -20.1 31.4 45 75 A V H < S+ 0 0 0 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.575 124.7 36.0 -90.4 -13.7 48.6 -18.3 28.0 46 76 A H >X + 0 0 12 -4,-2.0 3,-2.4 -5,-0.3 4,-2.4 -0.419 63.7 161.1-136.1 57.2 49.0 -14.7 29.1 47 77 A P T 34 + 0 0 10 0, 0.0 320,-0.1 0, 0.0 332,-0.1 0.637 67.4 71.7 -66.0 -12.3 51.3 -14.8 32.1 48 78 A A T 34 S- 0 0 1 318,-0.1 319,-2.2 319,-0.1 320,-0.6 0.782 130.5 -7.7 -61.7 -24.1 52.2 -11.1 31.8 49 79 A A T <4 S+ 0 0 0 -3,-2.4 296,-0.3 -7,-0.2 315,-0.1 0.550 116.9 81.7-145.1 -54.1 48.7 -10.3 33.0 50 80 A G < + 0 0 2 -4,-2.4 2,-0.3 -8,-0.3 -7,-0.2 -0.368 67.5 148.8 -61.3 150.7 46.5 -13.4 33.3 51 81 A N - 0 0 5 -12,-0.4 -8,-0.2 1,-0.1 -7,-0.1 -0.999 62.8-147.5-170.2 157.7 47.2 -15.2 36.6 52 82 A I S S+ 0 0 3 -2,-0.3 58,-0.6 327,-0.3 57,-0.1 0.348 100.7 66.2-115.2 -6.3 46.5 -17.2 39.6 53 83 A G S S+ 0 0 0 326,-0.3 328,-1.8 -3,-0.1 2,-0.1 0.287 103.6 41.9 -92.9 9.0 49.1 -15.1 41.6 54 84 A G S S- 0 0 0 326,-0.2 54,-2.4 53,-0.1 55,-2.0 -0.069 73.3-131.9-125.6-139.1 47.1 -11.9 41.5 55 85 A G E +H 362 0B 0 307,-2.3 307,-2.5 53,-0.3 18,-0.3 -0.965 20.9 160.2-169.2-172.9 43.5 -10.7 41.8 56 86 A G E -HI 361 72B 0 16,-1.1 16,-2.2 -2,-0.3 2,-0.3 -0.959 32.3 -76.8 172.3-159.3 40.8 -8.5 40.4 57 87 A F E -HI 360 71B 0 303,-2.4 303,-1.8 -2,-0.3 2,-0.4 -0.967 18.9-157.7-137.3 149.8 37.1 -7.7 40.1 58 88 A A E -HI 359 70B 0 12,-2.1 12,-3.2 -2,-0.3 2,-0.5 -1.000 3.6-163.0-126.8 131.7 34.0 -9.1 38.4 59 89 A V E -HI 358 69B 0 299,-2.6 299,-2.7 -2,-0.4 2,-0.4 -0.969 19.7-169.8-110.1 128.0 30.9 -7.0 37.6 60 90 A I E -HI 357 68B 0 8,-3.0 8,-2.6 -2,-0.5 2,-0.5 -0.966 21.4-165.4-127.0 128.0 28.0 -9.3 36.9 61 91 A H E -HI 356 67B 7 295,-2.7 295,-2.7 -2,-0.4 2,-0.2 -0.983 25.9-147.2-107.4 125.5 24.5 -8.6 35.5 62 92 A L > - 0 0 12 4,-2.9 3,-2.5 -2,-0.5 293,-0.1 -0.607 22.8-113.0 -96.5 152.4 22.3 -11.7 36.1 63 93 A A T 3 S+ 0 0 59 1,-0.3 -1,-0.1 -2,-0.2 292,-0.1 0.778 115.4 59.7 -46.1 -35.1 19.5 -12.9 33.9 64 94 A N T 3 S- 0 0 111 1,-0.1 -1,-0.3 2,-0.1 291,-0.1 0.470 123.0 -99.6 -82.1 -0.6 17.0 -12.0 36.6 65 95 A G S < S+ 0 0 36 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.1 0.195 78.7 133.7 106.1 -15.4 17.9 -8.3 36.6 66 96 A E - 0 0 108 -5,-0.1 -4,-2.9 1,-0.0 2,-0.4 -0.373 41.4-152.9 -69.5 144.3 20.2 -8.3 39.7 67 97 A N E +I 61 0B 30 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.991 21.1 170.9-120.7 124.9 23.6 -6.5 39.5 68 98 A V E -I 60 0B 25 -8,-2.6 -8,-3.0 -2,-0.4 2,-0.4 -0.902 21.8-147.7-133.7 157.9 26.5 -7.7 41.6 69 99 A A E -IJ 59 234B 0 165,-2.1 165,-3.0 -2,-0.3 2,-0.6 -0.984 7.5-152.1-126.0 140.0 30.2 -7.1 42.1 70 100 A L E -IJ 58 233B 0 -12,-3.2 -12,-2.1 -2,-0.4 2,-0.8 -0.967 4.9-158.2-114.9 117.6 32.9 -9.5 43.2 71 101 A D E +IJ 57 232B 0 161,-3.1 161,-2.1 -2,-0.6 -14,-0.2 -0.863 27.8 155.2 -91.2 106.7 35.9 -8.2 45.0 72 102 A F E +I 56 0B 0 -16,-2.2 -16,-1.1 -2,-0.8 36,-0.3 -0.166 26.9 146.7-120.7 40.0 38.8 -10.7 44.7 73 103 A R - 0 0 0 -18,-0.3 -18,-0.1 1,-0.1 33,-0.1 -0.425 55.7 -97.3 -68.2 145.3 41.4 -8.1 45.1 74 104 A E - 0 0 0 -2,-0.1 2,-0.4 31,-0.1 -1,-0.1 -0.212 36.4-135.8 -62.7 153.7 44.6 -9.0 46.9 75 105 A K B -L 106 0C 14 31,-1.0 31,-3.0 337,-0.2 337,-0.2 -0.884 20.9-106.9-109.1 146.4 45.0 -8.2 50.6 76 106 A A - 0 0 0 335,-3.0 334,-1.6 -2,-0.4 29,-0.1 -0.503 52.1-102.3 -60.0 136.5 48.0 -6.7 52.4 77 107 A P > - 0 0 1 0, 0.0 3,-1.6 0, 0.0 333,-0.5 -0.155 28.1-106.0 -58.5 163.1 49.5 -9.6 54.4 78 108 A L T 3 S+ 0 0 57 1,-0.3 331,-0.2 331,-0.2 143,-0.1 0.791 123.7 50.6 -58.1 -29.7 48.9 -9.8 58.2 79 109 A K T 3 S+ 0 0 140 141,-0.2 -1,-0.3 329,-0.1 330,-0.1 0.476 84.5 120.8 -90.1 -4.2 52.5 -8.7 58.7 80 110 A A < - 0 0 7 -3,-1.6 329,-0.4 328,-0.1 2,-0.3 -0.212 42.5-170.4 -58.8 146.1 52.1 -5.7 56.4 81 111 A T > - 0 0 81 327,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.988 35.1-107.3-141.7 152.4 52.8 -2.2 57.9 82 112 A K T 3 S+ 0 0 125 -2,-0.3 325,-0.4 1,-0.3 3,-0.3 0.828 118.4 32.2 -40.9 -50.6 52.3 1.4 56.8 83 113 A N T > S+ 0 0 90 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.024 78.5 124.5-103.0 26.8 56.0 2.1 56.3 84 114 A M T < S+ 0 0 31 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.713 75.9 48.7 -61.8 -22.2 57.1 -1.3 55.2 85 115 A F T 3 S+ 0 0 0 -3,-0.3 8,-2.7 304,-0.3 2,-0.3 0.248 96.9 90.5-101.3 12.9 58.6 0.0 51.9 86 116 A L B < -M 92 0D 29 -3,-1.9 6,-0.2 6,-0.2 2,-0.0 -0.757 67.0-131.3-110.0 157.3 60.6 2.8 53.5 87 117 A D > - 0 0 64 4,-2.8 3,-1.6 -2,-0.3 -1,-0.1 -0.125 44.9 -76.5 -89.5-171.6 64.2 2.9 54.9 88 118 A K T 3 S+ 0 0 210 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.917 131.8 49.8 -49.9 -50.1 65.6 4.2 58.2 89 119 A Q T 3 S- 0 0 158 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.302 122.3-103.3 -80.8 8.9 65.3 7.8 57.1 90 120 A G S < S+ 0 0 29 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.677 78.4 136.9 81.2 19.1 61.7 7.4 55.9 91 121 A N - 0 0 69 1,-0.1 -4,-2.8 299,-0.0 -1,-0.3 -0.803 62.6 -95.7-105.2 142.1 62.6 7.3 52.3 92 122 A V B -M 86 0D 43 -2,-0.4 -6,-0.2 -6,-0.2 -1,-0.1 -0.205 32.1-129.7 -51.2 131.9 61.3 4.9 49.6 93 123 A V > - 0 0 49 -8,-2.7 3,-2.2 -6,-0.1 4,-0.5 -0.841 36.7-109.7 -86.4 111.8 63.4 1.8 49.1 94 124 A P T 3 S- 0 0 109 0, 0.0 -1,-0.0 0, 0.0 -8,-0.0 -0.149 91.8 -7.2 -52.2 127.1 63.9 1.7 45.3 95 125 A K T >> S+ 0 0 111 1,-0.1 4,-3.0 3,-0.0 3,-0.9 0.382 95.2 118.6 67.9 2.0 61.9 -1.3 43.7 96 126 A L T <4 S+ 0 0 55 -3,-2.2 -1,-0.1 1,-0.3 -10,-0.1 0.878 81.9 43.1 -63.8 -35.4 60.9 -2.8 47.1 97 127 A S T 34 S+ 0 0 5 -4,-0.5 288,-0.5 -12,-0.2 -1,-0.3 0.477 125.0 35.8 -84.6 -3.3 57.2 -2.3 46.2 98 128 A E T <4 S+ 0 0 43 -3,-0.9 2,-0.5 1,-0.3 -2,-0.2 0.755 107.8 51.0-118.3 -43.9 57.7 -3.5 42.6 99 129 A D S < S- 0 0 15 -4,-3.0 -1,-0.3 271,-0.1 3,-0.2 -0.928 96.2 -4.3-112.5 124.9 60.2 -6.3 42.3 100 130 A G S > S- 0 0 4 269,-2.3 3,-1.0 -2,-0.5 4,-0.2 -0.391 97.5 -36.0 100.1-166.3 60.2 -9.6 44.3 101 131 A Y G > S+ 0 0 8 116,-0.4 3,-1.1 1,-0.3 119,-0.4 0.781 122.2 57.1 -77.4 -30.1 58.4 -11.2 47.2 102 132 A L G 3 S+ 0 0 31 -3,-0.2 -1,-0.3 115,-0.2 -2,-0.1 0.670 95.5 68.1 -72.0 -14.8 57.6 -8.3 49.4 103 133 A A G < S+ 0 0 0 -3,-1.0 281,-2.3 -8,-0.1 282,-0.4 0.551 84.3 100.8 -79.2 -9.0 55.7 -6.5 46.6 104 134 A A < - 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0 0 33 -3,-2.1 4,-2.2 -4,-0.3 5,-0.2 -0.947 65.2-152.0-127.3 119.3 64.8 -14.8 41.1 161 191 A S H > S+ 0 0 69 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.868 99.2 54.6 -49.4 -45.1 65.8 -18.5 40.8 162 192 A S H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 111.4 43.3 -58.5 -49.5 62.1 -19.6 40.6 163 193 A S H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.813 109.5 56.4 -68.1 -32.6 61.3 -17.3 37.7 164 194 A K H X S+ 0 0 59 -4,-2.2 4,-0.9 -7,-0.3 -1,-0.2 0.895 109.3 48.9 -62.7 -39.0 64.6 -18.1 35.9 165 195 A K H < S+ 0 0 114 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.884 121.3 33.3 -66.2 -38.2 63.5 -21.8 36.0 166 196 A Y H < S+ 0 0 26 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.820 122.9 39.1 -90.6 -34.4 59.9 -21.1 34.7 167 197 A F H < S+ 0 0 5 -4,-3.0 8,-0.5 -5,-0.2 2,-0.3 0.412 107.8 58.8-108.9 2.1 60.3 -18.2 32.2 168 198 A F E < S-O 174 0F 10 -4,-0.9 6,-0.2 -5,-0.2 2,-0.1 -0.909 75.3-120.8-120.1 155.9 63.6 -19.0 30.4 169 199 A K E >> -O 173 0F 66 4,-2.9 4,-1.6 -2,-0.3 3,-1.3 -0.437 66.4 -52.6 -77.9 168.6 64.9 -21.9 28.4 170 200 A K T 34 S+ 0 0 204 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 -0.114 132.9 28.3 -47.9 133.5 68.0 -23.7 29.6 171 201 A G T 34 S- 0 0 55 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.533 130.3 -77.9 88.6 10.9 70.9 -21.3 30.3 172 202 A H T <4 S+ 0 0 77 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.866 81.2 164.5 63.7 39.8 68.4 -18.5 31.1 173 203 A L E < -O 169 0F 93 -4,-1.6 -4,-2.9 -3,-0.2 -1,-0.2 -0.709 40.8-107.5 -89.6 136.7 67.7 -17.9 27.4 174 204 A D E -O 168 0F 31 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.301 32.4-112.3 -57.6 138.7 64.7 -15.8 26.3 175 205 A Y - 0 0 33 -8,-0.5 2,-0.2 -29,-0.1 -24,-0.1 -0.546 37.5-146.0 -64.7 141.5 61.8 -17.7 24.8 176 206 A Q > - 0 0 114 -2,-0.2 3,-2.0 1,-0.1 -34,-0.3 -0.688 31.0 -73.1-109.3 164.1 61.5 -16.7 21.1 177 207 A E T 3 S+ 0 0 111 1,-0.2 -34,-0.2 -2,-0.2 -33,-0.1 -0.352 120.1 18.6 -58.4 129.9 58.4 -16.3 18.9 178 208 A G T 3 S+ 0 0 53 -36,-2.8 -1,-0.2 1,-0.3 -35,-0.1 0.235 89.3 136.3 94.0 -13.8 57.0 -19.7 18.0 179 209 A D < - 0 0 41 -3,-2.0 -37,-2.7 -38,-0.1 2,-0.7 -0.359 61.7-112.6 -63.3 150.0 58.7 -21.6 20.8 180 210 A L E -N 141 0E 105 -39,-0.2 2,-0.7 -3,-0.1 -39,-0.2 -0.767 29.3-156.2 -87.5 119.5 56.7 -24.2 22.7 181 211 A F E -N 140 0E 2 -41,-3.1 -41,-1.2 -2,-0.7 2,-0.4 -0.881 12.2-174.7-102.1 113.0 56.2 -23.0 26.2 182 212 A V - 0 0 53 -2,-0.7 2,-0.3 -43,-0.2 -45,-0.2 -0.872 10.8-168.7-109.9 138.3 55.4 -25.8 28.7 183 213 A Q > + 0 0 12 -47,-2.8 4,-1.8 -2,-0.4 5,-0.1 -0.633 15.7 164.2-131.4 74.9 54.6 -25.2 32.3 184 214 A K H > S+ 0 0 95 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.842 78.0 47.8 -62.4 -44.8 54.6 -28.4 34.3 185 215 A D H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 110.9 53.1 -65.8 -38.1 54.7 -27.0 37.8 186 216 A L H > S+ 0 0 2 191,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.890 107.3 51.9 -61.9 -37.5 51.9 -24.6 36.9 187 217 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.863 105.0 56.2 -67.8 -35.6 49.9 -27.7 35.8 188 218 A K H X S+ 0 0 136 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.930 110.6 44.9 -56.9 -44.2 50.6 -29.4 39.1 189 219 A T H X S+ 0 0 2 -4,-1.9 4,-1.9 187,-0.3 -2,-0.2 0.921 112.6 49.0 -70.3 -48.0 49.0 -26.4 40.9 190 220 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.848 109.2 54.8 -57.7 -35.1 46.0 -26.2 38.5 191 221 A N H X S+ 0 0 57 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.846 104.6 53.0 -71.5 -34.3 45.6 -29.9 39.1 192 222 A Q H X S+ 0 0 58 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.878 111.9 46.5 -58.8 -42.5 45.4 -29.3 42.9 193 223 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 7,-0.2 -2,-0.2 0.892 109.8 53.6 -71.3 -38.8 42.7 -26.8 42.2 194 224 A K H < S+ 0 0 62 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.930 118.9 34.5 -56.7 -46.4 40.9 -29.1 39.8 195 225 A T H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.895 134.5 22.5 -79.2 -41.1 40.8 -31.9 42.5 196 226 A L H >< S- 0 0 75 -4,-2.8 3,-0.6 1,-0.3 -3,-0.2 0.446 94.1-134.9-111.9 -3.0 40.4 -29.8 45.6 197 227 A G T >< - 0 0 10 -4,-2.2 3,-2.4 -5,-0.2 -1,-0.3 -0.368 69.0 -24.7 73.1-159.0 38.9 -26.5 44.6 198 228 A A T >> S+ 0 0 7 1,-0.3 3,-2.5 2,-0.2 4,-2.5 0.807 133.1 68.3 -60.8 -29.1 40.4 -23.2 46.0 199 229 A K H <> S+ 0 0 115 -3,-0.6 4,-1.8 1,-0.3 -1,-0.3 0.773 87.5 70.1 -60.3 -22.4 41.6 -25.1 49.0 200 230 A G H <4 S+ 0 0 2 -3,-2.4 6,-0.4 -7,-0.2 -1,-0.3 0.704 111.9 29.2 -62.6 -21.5 44.0 -26.7 46.5 201 231 A F H <4 S+ 0 0 0 -3,-2.5 -2,-0.2 -4,-0.3 -1,-0.2 0.776 126.2 41.6-101.8 -42.3 45.7 -23.2 46.3 202 232 A Y H < S+ 0 0 15 -4,-2.5 2,-0.2 24,-0.1 -3,-0.2 0.553 120.4 28.0 -90.3 -11.3 45.1 -21.7 49.8 203 233 A Q S >X S+ 0 0 110 -4,-1.8 4,-1.2 -5,-0.3 3,-0.5 -0.747 100.7 21.0-133.4 178.8 45.8 -24.9 51.9 204 234 A G H 3> S- 0 0 58 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.152 116.3 -8.0 62.9-142.5 47.9 -28.1 51.7 205 235 A Q H 3> S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.846 134.8 47.6 -67.0 -41.9 50.9 -28.5 49.5 206 236 A V H <> S+ 0 0 3 -3,-0.5 4,-2.8 -6,-0.4 -1,-0.2 0.901 111.5 51.3 -66.5 -41.0 50.6 -25.2 47.4 207 237 A A H X S+ 0 0 2 -4,-1.2 4,-3.0 -8,-0.2 -2,-0.2 0.914 110.9 50.3 -58.2 -42.2 50.1 -23.2 50.6 208 238 A E H X S+ 0 0 58 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.926 110.4 49.1 -61.8 -46.5 53.2 -24.8 52.0 209 239 A L H X S+ 0 0 42 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.930 113.2 47.2 -58.4 -45.6 55.2 -24.0 48.9 210 240 A I H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.949 113.5 47.2 -62.5 -47.4 54.0 -20.4 49.1 211 241 A E H X S+ 0 0 43 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.923 115.1 44.0 -63.8 -44.0 54.8 -20.0 52.7 212 242 A K H X S+ 0 0 94 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.865 114.0 48.9 -74.9 -33.8 58.3 -21.5 52.6 213 243 A D H X S+ 0 0 9 -4,-2.1 4,-1.1 -5,-0.3 6,-0.2 0.885 110.0 53.2 -73.1 -37.0 59.4 -19.7 49.4 214 244 A M H ><>S+ 0 0 1 -4,-2.5 5,-2.9 -5,-0.3 3,-0.9 0.967 110.3 47.2 -52.7 -54.2 58.1 -16.4 50.9 215 245 A K H ><5S+ 0 0 176 -4,-2.2 3,-0.7 1,-0.3 -2,-0.2 0.839 110.0 53.1 -59.5 -39.4 60.3 -16.9 54.1 216 246 A K H 3<5S+ 0 0 149 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.785 116.0 39.8 -63.8 -29.9 63.4 -17.9 52.0 217 247 A N T <<5S- 0 0 61 -4,-1.1 -116,-0.4 -3,-0.9 -115,-0.2 0.139 118.4 -95.0-119.5 15.0 63.2 -14.8 50.0 218 248 A G T < 5S+ 0 0 55 -3,-0.7 -3,-0.2 -4,-0.3 2,-0.2 0.668 80.0 131.9 81.1 17.1 62.2 -11.9 52.3 219 249 A G < - 0 0 10 -5,-2.9 -1,-0.3 -6,-0.2 -117,-0.2 -0.498 48.4-148.4 -91.5 173.2 58.4 -12.1 51.7 220 250 A I + 0 0 38 -119,-0.4 2,-0.3 -116,-0.2 -141,-0.2 0.452 51.0 122.6-126.5 -0.4 55.8 -12.1 54.4 221 251 A I - 0 0 2 -120,-0.2 2,-0.2 -11,-0.1 -6,-0.2 -0.480 39.9-177.4 -71.2 127.4 52.8 -14.2 53.1 222 252 A T > - 0 0 25 -2,-0.3 4,-2.0 -8,-0.1 5,-0.2 -0.698 44.8-100.3-119.6 170.7 52.1 -17.2 55.4 223 253 A K H > S+ 0 0 82 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.829 124.4 58.6 -57.5 -33.3 49.7 -20.1 55.5 224 254 A E H > S+ 0 0 135 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 104.8 49.5 -65.5 -46.1 47.6 -18.0 57.9 225 255 A D H > S+ 0 0 1 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.915 113.5 46.1 -52.4 -50.1 47.3 -15.3 55.2 226 256 A L H >< S+ 0 0 1 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.901 111.8 48.9 -66.7 -43.6 46.2 -17.8 52.6 227 257 A A H 3< S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.739 113.1 50.3 -66.9 -22.3 43.7 -19.6 54.8 228 258 A S H 3< S+ 0 0 48 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.494 78.6 124.5 -94.8 -4.0 42.3 -16.2 55.8 229 259 A Y << - 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