==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-05 1WYC . COMPND 2 MOLECULE: 6-AMINOHEXANOATE-DIMER HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVOBACTERIUM SP.; . AUTHOR S.NEGORO,T.OHKI,N.SHIBATA,N.MIZUNO,Y.WAKITANI,J.TSURUKAME, . 384 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 66.4 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 . 55 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 1 1 2 0 0 1 0 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 . 3 4 2 0 2 1 1 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 1 0 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 5 A S 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.5 35.7 1.6 -3.6 2 6 A T - 0 0 23 1,-0.3 134,-0.2 135,-0.0 135,-0.1 0.274 360.0-132.3-113.3 8.4 39.2 3.0 -3.2 3 7 A G - 0 0 31 133,-0.1 -1,-0.3 132,-0.1 2,-0.1 -0.159 51.9 -8.3 77.6-167.9 41.0 0.6 -5.5 4 8 A Q - 0 0 158 10,-0.0 3,-0.0 218,-0.0 0, 0.0 -0.397 58.8-177.0 -72.2 136.6 44.2 -1.3 -5.0 5 9 A H - 0 0 50 -2,-0.1 222,-0.1 220,-0.0 2,-0.1 -0.938 39.2 -84.9-128.0 155.3 46.4 -0.8 -1.9 6 10 A P - 0 0 24 0, 0.0 220,-0.1 0, 0.0 222,-0.1 -0.358 50.9-112.7 -60.7 130.9 49.8 -2.3 -1.0 7 11 A A - 0 0 46 218,-0.2 220,-0.2 1,-0.1 7,-0.1 -0.315 15.1-125.5 -64.6 146.8 49.3 -5.6 0.8 8 12 A R S S- 0 0 13 8,-0.6 -1,-0.1 5,-0.4 6,-0.1 0.843 94.1 -2.7 -62.6 -34.1 50.3 -5.8 4.5 9 13 A Y S > S- 0 0 27 7,-0.2 3,-2.5 4,-0.1 -1,-0.2 -0.954 105.8 -60.4-148.3 165.6 52.6 -8.7 3.6 10 14 A P T 3 S+ 0 0 127 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.268 123.8 4.8 -52.5 118.0 53.4 -10.7 0.4 11 15 A G T 3 S+ 0 0 81 1,-0.3 2,-0.1 -2,-0.1 -3,-0.0 0.420 91.4 152.6 90.4 -2.0 50.1 -12.4 -0.8 12 16 A A < - 0 0 15 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.347 44.9-119.7 -66.0 140.1 47.9 -10.7 1.8 13 17 A A > - 0 0 60 1,-0.2 3,-1.8 -6,-0.1 -5,-0.4 -0.290 49.8 -72.1 -67.4 162.3 44.2 -10.2 0.9 14 18 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -7,-0.1 -7,-0.1 -0.358 119.4 5.8 -58.4 130.5 42.9 -6.6 0.9 15 19 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 238,-0.2 239,-0.1 0.491 99.9 175.3 78.8 2.3 42.6 -5.2 4.4 16 20 A E < + 0 0 56 -3,-1.8 -8,-0.6 237,-0.1 -1,-0.2 -0.778 43.5 31.4-104.5 143.5 44.2 -8.2 6.0 17 21 A P S S- 0 0 0 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.580 70.7-177.4 -85.4 168.5 44.9 -8.9 8.8 18 22 A T >> - 0 0 56 -2,-0.1 3,-1.5 235,-0.0 4,-1.4 -0.647 48.5 -91.9-110.4 176.3 42.5 -7.1 11.1 19 23 A L T 34 S+ 0 0 102 1,-0.3 4,-0.1 -2,-0.2 19,-0.0 0.762 129.4 48.2 -57.9 -23.3 42.5 -7.0 14.8 20 24 A D T 34 S+ 0 0 145 1,-0.1 -1,-0.3 2,-0.1 3,-0.0 0.490 117.6 36.2 -99.0 -2.7 40.2 -10.0 14.6 21 25 A S T X4 S+ 0 0 9 -3,-1.5 3,-2.0 2,-0.1 6,-0.2 0.463 80.0 100.1-126.0 -4.4 42.2 -12.2 12.2 22 26 A W T 3< S+ 0 0 37 -4,-1.4 9,-0.2 1,-0.3 10,-0.2 0.700 81.2 57.7 -66.3 -18.2 45.9 -11.6 12.9 23 27 A Q T 3 S+ 0 0 132 -4,-0.1 -1,-0.3 8,-0.1 -2,-0.1 0.590 94.3 85.9 -84.7 -9.5 46.2 -14.9 14.9 24 28 A E S <> S- 0 0 106 -3,-2.0 4,-2.0 1,-0.1 3,-0.5 -0.546 85.4 -69.6 -93.3 154.7 45.0 -16.9 11.9 25 29 A P T 4 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.560 111.2 18.8 -80.8 151.9 47.1 -18.3 9.0 26 30 A P T >> S+ 0 0 85 0, 0.0 3,-0.8 0, 0.0 4,-0.6 -0.981 125.7 54.6 -86.7 4.5 48.5 -17.1 6.8 27 31 A H H >> S+ 0 0 15 -3,-0.5 4,-2.6 1,-0.2 3,-1.0 0.840 94.1 69.4 -63.8 -36.0 48.4 -13.7 8.6 28 32 A N H 3X S+ 0 0 36 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.752 87.2 63.9 -65.3 -24.7 50.0 -14.8 11.8 29 33 A R H <4 S+ 0 0 213 -3,-0.8 4,-0.3 2,-0.2 -1,-0.3 0.916 115.3 32.9 -62.8 -41.1 53.5 -15.4 10.3 30 34 A W H X< S+ 0 0 29 -3,-1.0 3,-1.5 -4,-0.6 4,-0.4 0.925 118.2 53.4 -75.3 -46.8 53.7 -11.7 9.6 31 35 A A H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.837 100.2 60.0 -64.0 -34.9 51.7 -10.5 12.6 32 36 A F T 3< S+ 0 0 130 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.720 110.5 43.7 -67.0 -18.3 53.8 -12.3 15.1 33 37 A A T < S+ 0 0 73 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.404 125.7 31.9-101.5 -0.3 56.8 -10.3 13.9 34 38 A H X + 0 0 79 -3,-1.4 3,-2.0 -4,-0.4 4,-0.3 -0.109 67.3 142.9-146.8 39.1 54.9 -7.0 13.8 35 39 A L G >> + 0 0 65 1,-0.3 4,-2.6 -3,-0.2 3,-2.2 0.775 65.1 70.2 -66.0 -24.9 52.3 -7.1 16.5 36 40 A G G 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.714 90.8 63.0 -63.5 -18.6 52.6 -3.4 17.4 37 41 A E G <4 S+ 0 0 48 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.611 115.1 31.2 -76.6 -13.9 51.0 -2.6 14.1 38 42 A M T <4 S+ 0 0 26 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.745 124.2 33.1-111.2 -38.7 47.9 -4.3 15.3 39 43 A V S < S- 0 0 48 -4,-2.6 -1,-0.3 -20,-0.0 0, 0.0 -0.977 87.7-101.5-131.3 133.1 47.7 -3.8 19.0 40 44 A P - 0 0 126 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.253 51.1-173.2 -54.0 138.7 48.9 -0.8 21.2 41 45 A S - 0 0 90 -5,-0.2 2,-0.3 -4,-0.0 -5,-0.0 -0.979 20.1-143.0-145.9 148.2 52.2 -1.8 22.8 42 46 A A - 0 0 93 -2,-0.3 2,-0.3 2,-0.0 -6,-0.0 -0.836 24.9-113.7-113.8 148.6 54.8 -0.6 25.3 43 47 A A - 0 0 102 -2,-0.3 2,-0.7 1,-0.0 0, 0.0 -0.599 17.1-149.2 -77.8 138.5 58.5 -0.8 25.3 44 48 A V - 0 0 140 -2,-0.3 -1,-0.0 2,-0.0 2,-0.0 -0.939 31.3-125.1-108.2 107.7 60.1 -2.9 28.0 45 49 A S - 0 0 87 -2,-0.7 -2,-0.0 1,-0.1 0, 0.0 -0.235 20.8-161.5 -70.5 135.6 63.4 -1.1 28.6 46 50 A R S S+ 0 0 209 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.570 78.4 77.8 -81.7 -10.5 66.8 -2.9 28.4 47 51 A R 0 0 113 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.834 360.0 360.0-103.2 136.6 68.3 -0.1 30.4 48 52 A P 0 0 181 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.392 360.0 360.0 -58.1 360.0 67.8 0.2 34.2 49 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 50 57 A G 0 0 110 0, 0.0 2,-0.4 0, 0.0 43,-0.2 0.000 360.0 360.0 360.0 -5.1 64.6 12.2 36.2 51 58 A H - 0 0 166 41,-0.2 43,-0.3 44,-0.0 44,-0.1 -0.989 360.0-106.4-135.3 143.6 66.6 15.3 35.5 52 59 A A - 0 0 24 -2,-0.4 2,-0.6 41,-0.2 40,-0.2 -0.371 27.3-138.1 -66.9 142.5 66.7 17.7 32.5 53 60 A L E -A 91 0A 70 38,-2.8 38,-2.4 42,-0.2 2,-0.6 -0.919 23.0-178.5-104.5 116.6 69.8 17.5 30.3 54 61 A A E +A 90 0A 43 -2,-0.6 36,-0.2 36,-0.2 2,-0.2 -0.935 19.5 154.4-120.9 110.0 71.1 20.9 29.3 55 62 A R E +A 89 0A 156 34,-3.0 34,-2.1 -2,-0.6 35,-0.1 -0.615 9.8 159.0-127.2 71.2 74.1 21.2 27.0 56 63 A L >> - 0 0 18 32,-0.3 3,-0.7 1,-0.2 4,-0.5 0.462 27.5-168.8 -82.7 -0.6 73.4 24.5 25.3 57 64 A G T 34 - 0 0 52 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 -0.172 56.1 -15.0 61.5-134.2 77.1 24.9 24.4 58 65 A A T >> S+ 0 0 78 29,-0.5 3,-1.7 1,-0.2 4,-0.5 0.797 126.0 67.4 -80.9 -30.8 78.3 28.3 23.1 59 66 A I H <> S+ 0 0 5 -3,-0.7 4,-2.1 28,-0.3 3,-0.4 0.675 82.3 80.4 -66.4 -14.4 74.9 29.9 22.4 60 67 A A H 3< S+ 0 0 40 -4,-0.5 -1,-0.3 -3,-0.5 6,-0.2 0.826 86.6 57.3 -59.8 -32.2 74.3 29.9 26.1 61 68 A A H <4 S+ 0 0 88 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.1 38.9 -68.2 -38.0 76.5 33.0 26.4 62 69 A Q H < S+ 0 0 96 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.722 124.1 41.5 -84.8 -23.8 74.3 34.9 23.9 63 70 A L >< + 0 0 18 -4,-2.1 3,-1.7 1,-0.1 -1,-0.3 -0.686 66.0 170.4-125.3 77.5 71.1 33.5 25.3 64 71 A P T 3 S+ 0 0 105 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.722 80.8 44.1 -57.6 -26.3 71.4 33.4 29.1 65 72 A D T 3> S+ 0 0 95 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.168 77.5 117.1-107.5 17.9 67.8 32.5 29.7 66 73 A L H <> S+ 0 0 1 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.885 73.2 50.1 -58.1 -46.2 67.5 29.8 27.0 67 74 A E H > S+ 0 0 67 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 112.1 48.3 -61.7 -42.6 66.8 26.9 29.3 68 75 A Q H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 110.8 51.6 -62.0 -38.6 64.0 28.8 31.1 69 76 A R H X S+ 0 0 59 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.853 109.1 50.3 -69.1 -33.7 62.6 29.8 27.7 70 77 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 3,-0.4 0.906 110.3 50.0 -68.2 -41.6 62.6 26.2 26.6 71 78 A E H ><5S+ 0 0 105 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.927 106.8 55.3 -59.3 -44.9 60.8 25.2 29.8 72 79 A Q H 3<5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.756 108.1 48.8 -63.8 -25.4 58.2 27.9 29.2 73 80 A T T 3<5S- 0 0 1 -4,-1.0 -1,-0.3 -3,-0.4 285,-0.2 0.027 117.6-111.1-103.6 25.8 57.4 26.5 25.8 74 81 A Y T < 5 - 0 0 111 -3,-2.0 284,-2.1 1,-0.2 2,-0.3 0.857 47.4-170.9 55.0 44.3 57.0 22.9 27.0 75 82 A T E < +B 357 0A 4 -5,-2.3 282,-0.3 282,-0.2 -1,-0.2 -0.505 21.7 172.5 -74.1 129.5 60.2 21.7 25.3 76 83 A D E S+ 0 0 6 280,-2.8 16,-2.0 1,-0.4 2,-0.4 0.797 73.6 7.1-100.2 -45.2 60.8 18.0 25.3 77 84 A A E +BC 356 91A 0 279,-2.4 279,-3.3 14,-0.2 -1,-0.4 -0.998 63.7 177.7-141.7 138.1 63.7 17.8 23.0 78 85 A F E +BC 355 90A 0 12,-2.6 12,-2.5 -2,-0.4 2,-0.3 -0.998 6.7 170.8-141.4 131.6 65.8 20.6 21.4 79 86 A L E -BC 354 89A 0 275,-2.5 275,-3.0 -2,-0.4 2,-0.5 -0.986 18.2-158.5-149.1 134.9 68.9 20.2 19.2 80 87 A V E -BC 353 88A 0 8,-2.8 7,-2.3 -2,-0.3 8,-1.1 -0.960 7.8-168.3-115.3 120.3 71.0 22.5 17.1 81 88 A L E -BC 352 86A 1 271,-2.9 271,-2.6 -2,-0.5 2,-0.6 -0.937 0.8-170.8-108.8 113.4 73.1 21.1 14.3 82 89 A R E > -BC 351 85A 102 3,-2.8 3,-2.1 -2,-0.6 2,-0.5 -0.924 69.7 -42.3-104.6 114.3 75.6 23.5 12.8 83 90 A G T 3 S- 0 0 15 267,-2.4 269,-0.1 -2,-0.6 194,-0.1 -0.583 124.7 -29.6 63.2-120.3 77.1 22.0 9.7 84 91 A T T 3 S+ 0 0 119 -2,-0.5 2,-0.4 2,-0.0 -1,-0.3 0.320 121.3 96.0-105.5 4.9 77.6 18.4 10.8 85 92 A E E < S- C 0 82A 120 -3,-2.1 -3,-2.8 2,-0.0 2,-0.8 -0.827 71.0-133.7-107.3 132.4 78.2 19.2 14.4 86 93 A V E + C 0 81A 45 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.728 31.7 170.9 -76.9 111.9 75.7 19.1 17.3 87 94 A V E + 0 0 27 -7,-2.3 -29,-0.5 -2,-0.8 -28,-0.3 0.524 60.9 19.0-106.8 -8.8 76.4 22.4 19.0 88 95 A A E + C 0 80A 2 -8,-1.1 -8,-2.8 -31,-0.1 2,-0.3 -0.937 61.1 175.2-160.7 141.3 73.6 22.5 21.5 89 96 A E E +AC 55 79A 33 -34,-2.1 -34,-3.0 -2,-0.3 2,-0.3 -0.995 4.3 178.6-144.4 147.8 71.1 20.0 23.1 90 97 A Y E +AC 54 78A 9 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.4 -0.961 0.6 178.3-148.7 135.5 68.4 20.0 25.7 91 98 A Y E -AC 53 77A 2 -38,-2.4 -38,-2.8 -2,-0.3 -14,-0.2 -0.998 28.4-121.6-136.0 133.6 66.0 17.3 26.9 92 99 A R > - 0 0 95 -16,-2.0 3,-2.1 -2,-0.4 -41,-0.2 -0.187 45.4 -78.9 -67.0 161.0 63.4 17.6 29.6 93 100 A A T 3 S+ 0 0 46 1,-0.3 -41,-0.2 -43,-0.2 -1,-0.2 -0.410 122.2 24.8 -55.6 131.1 63.5 15.4 32.7 94 101 A G T 3 S+ 0 0 59 -43,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.346 101.7 96.4 94.2 -7.5 62.0 12.1 31.8 95 102 A F < - 0 0 19 -3,-2.1 -42,-0.2 -19,-0.1 -1,-0.1 -0.961 64.6-147.5-118.9 115.4 62.9 12.3 28.1 96 103 A A > - 0 0 31 -2,-0.5 3,-2.0 1,-0.1 -4,-0.1 -0.430 24.6-113.8 -81.1 154.1 66.1 10.6 27.0 97 104 A P T 3 S+ 0 0 58 0, 0.0 170,-0.4 0, 0.0 169,-0.4 0.812 119.5 43.7 -53.5 -32.5 68.3 11.9 24.2 98 105 A D T 3 S+ 0 0 43 167,-0.1 2,-0.1 168,-0.1 167,-0.1 0.257 88.0 115.4-101.9 10.2 67.5 8.8 22.2 99 106 A D < - 0 0 57 -3,-2.0 167,-0.4 1,-0.1 2,-0.3 -0.483 65.7-122.5 -72.2 150.6 63.7 8.8 23.0 100 107 A R - 0 0 83 165,-0.2 2,-0.4 -2,-0.1 165,-0.2 -0.689 23.8-160.2 -96.1 152.7 61.4 9.3 20.0 101 108 A H E -H 264 0B 19 163,-2.4 163,-1.7 -2,-0.3 2,-0.0 -0.992 26.6-103.0-136.0 138.0 58.8 12.1 19.9 102 109 A L E -H 263 0B 54 -2,-0.4 161,-0.3 161,-0.2 159,-0.1 -0.333 25.1-159.9 -58.4 136.5 55.7 12.6 17.8 103 110 A L > - 0 0 0 159,-3.1 3,-2.1 1,-0.2 -1,-0.1 0.597 13.5-169.9 -95.0 -13.5 56.3 15.0 14.9 104 111 A M T > S- 0 0 30 156,-0.8 3,-2.5 158,-0.4 158,-0.4 -0.280 74.8 -5.9 46.6-136.1 52.6 15.9 14.2 105 112 A S T >> S+ 0 0 11 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.523 117.9 82.1 -72.3 -1.6 52.6 17.9 10.9 106 113 A V H X> S+ 0 0 0 -3,-2.1 4,-1.1 1,-0.2 3,-0.9 0.818 82.1 72.1 -60.2 -25.9 56.4 18.0 10.7 107 114 A S H <> S+ 0 0 0 -3,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.816 85.0 64.5 -52.8 -33.3 55.5 14.6 9.2 108 115 A K H <> S+ 0 0 2 -3,-1.3 4,-2.7 151,-0.6 -1,-0.2 0.873 96.6 54.3 -62.6 -37.3 54.1 16.4 6.2 109 116 A S H S+ 0 0 0 -4,-1.6 5,-2.7 -3,-0.3 6,-1.1 0.794 109.6 54.4 -75.1 -28.6 59.8 10.1 -7.0 119 126 A V H ><5S+ 0 0 38 -4,-2.0 3,-0.9 4,-0.2 -2,-0.2 0.910 106.5 52.5 -65.1 -42.0 59.6 13.4 -9.0 120 127 A D H 3<5S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.852 109.7 48.9 -61.6 -34.8 63.4 13.2 -9.2 121 128 A E T 3<5S- 0 0 104 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.577 116.1-117.9 -81.6 -10.2 63.1 9.6 -10.6 122 129 A G T < 5S+ 0 0 65 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.644 84.2 116.4 84.0 15.5 60.5 10.8 -13.1 123 130 A R S - 0 0 72 -2,-0.4 3,-2.4 1,-0.1 22,-0.3 -0.938 9.7-155.1-110.0 106.9 54.8 14.6 -12.6 126 133 A P T 3 S+ 0 0 22 0, 0.0 22,-2.6 0, 0.0 23,-0.4 0.725 92.0 63.6 -52.8 -23.3 53.5 17.4 -10.3 127 134 A A T 3 S+ 0 0 76 20,-0.2 22,-0.0 19,-0.2 -3,-0.0 0.674 85.8 94.2 -76.7 -17.2 51.7 19.0 -13.3 128 135 A Q S < S- 0 0 67 -3,-2.4 19,-2.5 1,-0.1 20,-0.3 -0.407 86.5-102.6 -76.5 150.7 49.5 15.9 -13.7 129 136 A P B > -J 146 0C 44 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.404 28.6-115.5 -69.8 150.0 46.0 15.7 -12.0 130 137 A V G >> S+ 0 0 0 15,-2.2 4,-2.5 1,-0.3 3,-1.9 0.878 115.0 64.5 -47.6 -40.1 45.8 13.7 -8.8 131 138 A T G 34 S+ 0 0 34 11,-0.4 -1,-0.3 14,-0.3 7,-0.1 0.614 84.1 72.6 -68.6 -12.9 43.4 11.3 -10.7 132 139 A E G <4 S+ 0 0 114 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.830 116.1 23.4 -63.4 -31.4 46.2 10.3 -13.1 133 140 A Y T <4 S+ 0 0 35 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.1 0.746 136.4 32.7-106.5 -34.9 47.6 8.4 -10.2 134 141 A V >< + 0 0 0 -4,-2.5 3,-2.1 -5,-0.1 -1,-0.2 -0.708 62.3 172.7-125.3 79.9 44.5 7.8 -8.0 135 142 A P G > S+ 0 0 62 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.774 73.5 72.4 -55.1 -28.3 41.5 7.5 -10.4 136 143 A E G 3 S+ 0 0 58 1,-0.3 -133,-0.1 -134,-0.2 -5,-0.1 0.573 81.1 71.4 -70.2 -8.3 39.3 6.6 -7.5 137 144 A L G X + 0 0 0 -3,-2.1 3,-1.9 5,-0.1 5,-0.3 0.422 69.9 123.8 -87.1 2.5 39.4 10.2 -6.3 138 145 A A T < S+ 0 0 60 -3,-1.9 3,-0.1 1,-0.2 4,-0.0 -0.340 70.2 30.6 -54.2 141.0 37.2 11.1 -9.2 139 146 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.371 105.5 95.9 86.2 -6.0 34.1 12.8 -7.9 140 147 A S S X S- 0 0 10 -3,-1.9 3,-2.1 58,-0.1 -1,-0.3 -0.517 97.5 -91.3-106.1 178.6 35.9 14.3 -4.9 141 148 A V T 3 S+ 0 0 14 56,-2.2 57,-0.1 1,-0.3 15,-0.1 0.690 125.3 64.0 -62.2 -17.2 37.5 17.6 -4.3 142 149 A Y T 3 S+ 0 0 0 -5,-0.3 2,-0.9 55,-0.3 -11,-0.4 0.290 75.6 102.4 -91.9 9.5 40.7 16.0 -5.6 143 150 A D S < S+ 0 0 82 -3,-2.1 3,-0.1 1,-0.1 -5,-0.1 -0.842 92.3 13.9 -92.7 104.3 39.1 15.6 -9.0 144 151 A G S S+ 0 0 54 -2,-0.9 -1,-0.1 1,-0.5 -2,-0.1 -0.387 98.0 104.7 127.6 -57.2 40.6 18.3 -11.1 145 152 A P - 0 0 11 0, 0.0 -15,-2.2 0, 0.0 -1,-0.5 -0.151 67.2-118.9 -59.2 152.7 43.6 19.7 -9.0 146 153 A S B > -J 129 0C 22 -17,-0.3 4,-1.3 -16,-0.1 -19,-0.2 -0.442 23.4-110.3 -84.9 164.3 47.2 18.9 -9.9 147 154 A V H > S+ 0 0 0 -19,-2.5 4,-2.7 -21,-0.3 -20,-0.2 0.875 120.6 56.1 -60.3 -37.5 49.6 17.0 -7.7 148 155 A L H > S+ 0 0 53 -22,-2.6 4,-2.6 -20,-0.3 173,-0.3 0.887 102.3 55.0 -64.1 -37.4 51.6 20.2 -7.2 149 156 A Q H 4>S+ 0 0 44 -23,-0.4 5,-2.6 2,-0.2 4,-0.3 0.831 109.5 47.5 -65.8 -29.8 48.4 21.9 -6.0 150 157 A V H ><5S+ 0 0 0 -4,-1.3 3,-0.9 3,-0.2 -2,-0.2 0.925 111.3 51.1 -70.5 -45.2 48.2 19.2 -3.4 151 158 A L H 3<5S+ 0 0 0 -4,-2.7 171,-1.5 1,-0.3 -2,-0.2 0.870 117.7 38.3 -57.0 -40.1 51.9 19.7 -2.5 152 159 A D T 3<5S- 0 0 15 -4,-2.6 -1,-0.3 169,-0.2 -2,-0.2 0.408 107.8-126.4 -93.6 -0.4 51.4 23.4 -2.1 153 160 A M T < 5 + 0 0 0 -3,-0.9 54,-2.9 -4,-0.3 -3,-0.2 0.924 59.7 144.4 54.0 52.0 47.9 23.0 -0.4 154 161 A Q < + 0 0 26 -5,-2.6 50,-2.4 52,-0.2 2,-0.4 -0.339 31.1 109.1-115.5 47.8 46.2 25.3 -2.9 155 162 A I B -K 203 0D 2 52,-0.3 2,-0.5 48,-0.2 48,-0.2 -0.991 67.3-128.5-124.6 129.6 42.9 23.5 -3.1 156 163 A S + 0 0 35 46,-2.2 45,-0.5 -2,-0.4 2,-0.4 -0.667 37.6 176.9 -78.3 122.8 39.6 24.9 -1.5 157 164 A I - 0 0 8 -2,-0.5 2,-1.5 42,-0.2 42,-0.3 -0.986 39.5-125.7-132.9 135.8 38.1 22.1 0.6 158 165 A D + 0 0 109 40,-3.2 40,-0.4 -2,-0.4 2,-0.4 -0.655 55.9 147.9 -75.3 92.2 35.1 21.9 2.9 159 166 A Y - 0 0 14 -2,-1.5 2,-0.2 38,-0.1 -2,-0.1 -0.820 39.6-147.3-138.3 92.2 37.1 20.8 5.9 160 167 A N - 0 0 61 -2,-0.4 10,-2.0 1,-0.1 11,-0.2 -0.427 8.6-167.8 -66.1 124.2 35.8 21.9 9.3 161 168 A E + 0 0 100 -2,-0.2 2,-1.6 8,-0.1 -1,-0.1 0.319 51.9 117.0 -96.9 6.2 38.7 22.4 11.7 162 169 A D > - 0 0 78 1,-0.2 3,-1.3 2,-0.1 6,-0.3 -0.587 46.1-174.3 -75.7 89.1 36.4 22.7 14.7 163 170 A Y T 3 S+ 0 0 81 -2,-1.6 -1,-0.2 1,-0.3 5,-0.2 0.847 72.0 64.1 -61.0 -41.6 37.8 19.7 16.4 164 171 A V T 3 S+ 0 0 119 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.772 87.2 83.9 -56.7 -27.5 35.4 19.5 19.4 165 172 A D S X S- 0 0 57 -3,-1.3 3,-1.8 1,-0.2 6,-0.4 -0.690 71.4-153.6 -80.1 116.6 32.6 18.9 16.9 166 173 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 17,-0.1 0.719 95.7 61.3 -62.3 -19.7 32.5 15.1 16.1 167 174 A A T 3 S+ 0 0 68 -5,-0.1 -7,-0.1 4,-0.1 -4,-0.1 0.670 82.5 110.4 -78.6 -17.2 30.9 16.1 12.8 168 175 A S S <> S- 0 0 0 -3,-1.8 4,-2.1 -6,-0.3 5,-0.2 -0.218 74.9-130.1 -61.6 146.3 34.0 18.1 11.8 169 176 A E H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.850 106.4 60.3 -62.3 -33.8 36.2 16.7 9.1 170 177 A V H > S+ 0 0 19 -10,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.904 110.3 38.1 -66.6 -41.0 39.2 17.2 11.3 171 178 A Q H > S+ 0 0 9 -6,-0.4 4,-2.4 -11,-0.2 -1,-0.2 0.867 114.4 55.0 -76.3 -35.9 38.0 14.8 14.0 172 179 A T H X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.873 104.7 55.1 -63.5 -36.3 36.5 12.4 11.4 173 180 A H H X S+ 0 0 2 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.942 108.9 47.6 -58.9 -47.9 39.9 12.2 9.8 174 181 A D H X>S+ 0 0 18 -4,-1.4 5,-2.4 1,-0.2 6,-0.9 0.905 112.9 48.0 -60.1 -43.5 41.4 11.2 13.2 175 182 A R H ><5S+ 0 0 11 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.887 108.5 53.6 -68.2 -38.0 38.7 8.5 13.7 176 183 A S H 3<5S+ 0 0 3 -4,-2.5 76,-0.3 1,-0.2 -1,-0.2 0.762 114.1 44.0 -64.8 -24.5 39.1 7.1 10.3 177 184 A A H 3<5S- 0 0 3 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.521 117.9-105.9-102.1 -10.0 42.8 6.7 10.9 178 185 A G T <<5S+ 0 0 57 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.538 88.3 115.7 97.3 7.4 42.6 5.3 14.5 179 186 A W S - 0 0 132 -11,-0.1 3,-2.0 -17,-0.1 -1,-0.0 -0.858 36.1 -82.1-114.1 156.4 31.8 6.3 15.7 184 191 A H T 3 S+ 0 0 202 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.309 116.0 20.5 -59.5 132.6 29.0 4.5 13.8 185 192 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.0 3,-0.1 0.256 88.2 142.9 95.8 -12.7 29.0 5.3 10.1 186 193 A D < - 0 0 20 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.156 63.3 -88.0 -60.7 153.7 32.6 6.5 10.0 187 194 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.309 36.2-123.8 -61.6 151.7 34.7 5.7 6.9 188 195 A A S S- 0 0 44 -3,-0.1 64,-0.3 1,-0.0 2,-0.3 0.825 81.6 -9.4 -69.6 -32.9 36.4 2.4 7.2 189 196 A D S > S- 0 0 21 62,-0.1 4,-1.8 63,-0.1 -12,-0.2 -0.861 82.4 -82.8-153.9-177.8 39.9 3.8 6.7 190 197 A T H > S+ 0 0 1 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.884 121.7 56.6 -67.2 -38.4 41.8 6.9 5.6 191 198 A Y H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 108.2 47.5 -58.4 -46.9 41.4 6.2 1.9 192 199 A E H > S+ 0 0 78 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.904 109.3 54.1 -63.2 -40.9 37.7 6.1 2.2 193 200 A F H >< S+ 0 0 2 -4,-1.8 3,-1.3 1,-0.2 4,-0.4 0.909 104.8 54.4 -58.6 -42.9 37.6 9.3 4.3 194 201 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 -53,-0.2 0.871 102.1 57.6 -61.6 -36.0 39.6 11.2 1.6 195 202 A T H 3< S+ 0 0 34 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.664 98.4 61.8 -69.8 -15.4 37.0 10.2 -1.1 196 203 A T T << S+ 0 0 67 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.571 80.6 110.2 -85.0 -9.6 34.2 11.9 1.0 197 204 A L < - 0 0 3 -3,-1.4 -56,-2.2 -4,-0.4 -55,-0.3 -0.434 44.7-178.7 -77.6 139.7 35.8 15.3 0.8 198 205 A R + 0 0 126 -40,-0.4 -40,-3.2 -58,-0.2 2,-0.3 -0.886 7.4 174.8-131.4 161.0 34.2 18.1 -1.3 199 206 A G - 0 0 34 -2,-0.3 -42,-0.2 -42,-0.3 -57,-0.0 -0.943 47.2 -97.2-155.6 175.5 35.0 21.7 -2.2 200 207 A D - 0 0 122 -2,-0.3 3,-0.1 2,-0.1 -43,-0.1 0.532 62.8-110.3 -80.3 -4.2 33.7 24.5 -4.4 201 208 A G S S+ 0 0 66 -45,-0.5 2,-0.1 1,-0.3 -1,-0.1 0.266 74.5 131.4 100.0 -12.0 36.2 23.6 -7.1 202 209 A S + 0 0 58 -47,-0.1 -46,-2.2 -46,-0.0 -1,-0.3 -0.418 30.3 179.3 -76.1 150.9 38.4 26.7 -6.7 203 210 A T B +K 155 0D 66 -48,-0.2 -48,-0.2 -2,-0.1 3,-0.1 -0.851 44.7 70.6-137.7 172.9 42.2 26.5 -6.4 204 211 A G S S+ 0 0 36 -50,-2.4 2,-0.4 1,-0.3 -49,-0.1 0.136 74.4 96.2 105.0 -20.6 45.2 28.8 -6.1 205 212 A E S S- 0 0 114 -51,-0.2 -1,-0.3 100,-0.0 2,-0.2 -0.872 80.8-108.5-103.0 138.4 44.7 30.0 -2.5 206 213 A F + 0 0 14 98,-2.7 2,-0.3 -2,-0.4 100,-0.3 -0.417 39.2 172.1 -63.4 128.2 46.5 28.3 0.4 207 214 A Q - 0 0 53 -54,-2.9 2,-0.4 -2,-0.2 -52,-0.3 -0.892 29.2-136.2-135.7 111.7 44.3 26.2 2.7 208 215 A Y + 0 0 64 -2,-0.3 2,-0.3 -54,-0.1 -55,-0.0 -0.506 38.6 160.6 -66.0 121.0 46.2 24.2 5.2 209 216 A C >> - 0 0 0 -2,-0.4 3,-1.6 1,-0.1 4,-0.5 -0.910 39.3-150.7-151.1 118.4 44.5 20.8 5.2 210 217 A S H >> S+ 0 0 22 -2,-0.3 4,-1.3 1,-0.3 3,-0.6 0.748 93.9 71.9 -62.0 -24.4 46.0 17.5 6.5 211 218 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.851 88.3 64.2 -58.4 -33.3 43.9 15.5 4.0 212 219 A N H <> S+ 0 0 0 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.898 100.2 49.8 -58.7 -42.6 46.3 16.8 1.3 213 220 A T H > - 0 0 26 -2,-0.3 4,-2.7 -220,-0.2 3,-0.6 -0.404 35.6-117.9 -53.4 142.4 53.1 0.6 1.7 228 235 A Y H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.888 116.7 61.8 -55.4 -37.3 53.7 4.3 2.6 229 236 A V H 3> S+ 0 0 42 25,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.912 110.2 39.0 -52.2 -44.7 55.5 2.9 5.7 230 237 A E H <> S+ 0 0 96 -3,-0.6 4,-3.2 2,-0.2 -2,-0.2 0.883 113.5 54.0 -76.6 -38.1 58.0 1.2 3.4 231 238 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.891 104.3 55.9 -62.7 -38.2 58.3 4.0 0.9 232 239 A L H X>S+ 0 0 12 -4,-3.0 5,-2.7 -5,-0.2 4,-0.7 0.861 114.3 40.9 -63.3 -33.8 59.1 6.5 3.7 233 240 A S H <>S+ 0 0 52 -4,-1.0 5,-2.8 -5,-0.2 6,-0.3 0.954 117.0 46.0 -73.3 -54.0 62.0 4.2 4.6 234 241 A T H <5S+ 0 0 59 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.886 121.7 34.5 -61.6 -42.7 63.2 3.4 1.1 235 242 A Y H <5S- 0 0 20 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.637 139.7 -2.8 -91.6 -14.5 63.1 6.9 -0.3 236 243 A L T ><5S+ 0 0 0 -4,-0.7 3,-1.8 -5,-0.4 4,-0.4 0.524 120.6 49.5-135.9 -67.2 64.1 8.8 2.9 237 244 A W G > XS+ 0 0 21 -5,-2.7 3,-1.5 1,-0.3 5,-0.5 0.859 107.6 53.2 -62.3 -40.2 64.7 7.2 6.3 238 245 A A G 3 - 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