==== 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 09-FEB-05 1WYB . 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, . 378 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 66.7 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 14.6 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 . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.5 35.6 1.6 -3.4 2 6 A T - 0 0 22 1,-0.3 134,-0.2 135,-0.0 135,-0.1 0.250 360.0-131.6-108.7 11.1 39.1 3.0 -3.1 3 7 A G - 0 0 31 133,-0.1 -1,-0.3 132,-0.1 2,-0.1 -0.154 53.6 -8.4 75.0-166.9 40.9 0.7 -5.5 4 8 A Q - 0 0 162 10,-0.0 3,-0.0 213,-0.0 0, 0.0 -0.401 60.0-176.0 -72.1 136.4 44.0 -1.3 -5.0 5 9 A H - 0 0 52 -2,-0.1 2,-0.1 215,-0.0 217,-0.1 -0.934 38.4 -86.2-127.3 155.4 46.2 -0.8 -1.9 6 10 A P - 0 0 26 0, 0.0 215,-0.1 0, 0.0 217,-0.1 -0.382 50.1-113.5 -62.0 131.4 49.6 -2.3 -1.0 7 11 A A - 0 0 48 213,-0.2 215,-0.2 1,-0.1 7,-0.1 -0.341 14.6-126.3 -66.8 145.7 49.2 -5.7 0.8 8 12 A R S S- 0 0 13 8,-0.6 -1,-0.1 5,-0.3 6,-0.1 0.833 92.8 -2.4 -62.1 -33.8 50.2 -5.8 4.4 9 13 A Y S > S- 0 0 24 7,-0.2 3,-2.5 4,-0.1 -1,-0.1 -0.951 106.6 -58.1-149.0 165.6 52.4 -8.8 3.5 10 14 A P T 3 S+ 0 0 131 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.254 124.1 2.4 -51.5 117.5 53.2 -10.8 0.4 11 15 A G T 3 S+ 0 0 81 1,-0.3 -3,-0.0 -2,-0.1 2,-0.0 0.445 90.9 154.8 87.7 0.2 49.9 -12.3 -0.9 12 16 A A < - 0 0 15 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.328 43.5-119.6 -64.6 141.8 47.7 -10.7 1.7 13 17 A A > - 0 0 60 1,-0.2 3,-2.0 -6,-0.1 -5,-0.3 -0.330 49.8 -71.0 -71.3 162.0 44.0 -10.1 0.8 14 18 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.2 -7,-0.1 -7,-0.1 -0.325 120.1 5.8 -56.4 128.7 42.7 -6.6 0.8 15 19 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 233,-0.2 234,-0.1 0.444 99.7 175.8 82.3 -1.0 42.4 -5.2 4.4 16 20 A E < + 0 0 55 -3,-2.0 -8,-0.6 232,-0.1 -1,-0.2 -0.733 43.2 32.5-101.0 144.0 44.1 -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 0.578 70.8-175.6 -85.8 170.9 44.8 -8.9 8.7 18 22 A T >> - 0 0 55 -2,-0.1 4,-1.6 230,-0.0 3,-1.5 -0.688 47.4 -92.9-113.4 174.0 42.4 -7.2 11.1 19 23 A L T 34 S+ 0 0 105 1,-0.3 4,-0.1 -2,-0.2 19,-0.0 0.751 129.6 45.7 -56.7 -21.8 42.3 -7.0 14.9 20 24 A D T 34 S+ 0 0 145 1,-0.1 -1,-0.3 2,-0.1 3,-0.0 0.498 117.9 37.8-103.0 -4.5 40.1 -10.1 14.7 21 25 A S T X4 S+ 0 0 9 -3,-1.5 3,-2.2 2,-0.1 6,-0.2 0.501 80.0 99.2-122.0 -7.7 42.1 -12.2 12.1 22 26 A W T 3< S+ 0 0 40 -4,-1.6 9,-0.2 1,-0.3 10,-0.2 0.704 80.1 58.6 -64.4 -19.6 45.8 -11.7 12.8 23 27 A Q T 3 S+ 0 0 134 -4,-0.1 -1,-0.3 8,-0.1 -2,-0.1 0.582 94.1 85.4 -81.8 -9.5 46.2 -14.9 14.8 24 28 A E S X> S- 0 0 105 -3,-2.2 4,-2.0 1,-0.1 3,-0.7 -0.565 85.4 -70.6 -95.5 154.9 45.0 -17.0 11.8 25 29 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.554 112.5 20.3 -79.8 151.6 47.1 -18.3 8.9 26 30 A P T >> S+ 0 0 84 0, 0.0 4,-0.5 0, 0.0 3,-0.5 -0.966 127.1 53.2 -86.5 7.8 48.4 -17.0 6.6 27 31 A H H X> S+ 0 0 15 -3,-0.7 4,-2.6 -6,-0.2 3,-0.7 0.850 94.0 69.2 -67.5 -36.6 48.2 -13.7 8.6 28 32 A N H 3X S+ 0 0 36 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.735 87.6 63.5 -67.7 -24.2 49.9 -14.8 11.7 29 33 A R H <4 S+ 0 0 212 -3,-0.5 4,-0.4 2,-0.2 -1,-0.3 0.948 114.9 33.4 -62.0 -47.2 53.4 -15.3 10.3 30 34 A W H X< S+ 0 0 29 -3,-0.7 3,-1.3 -4,-0.5 4,-0.4 0.936 118.5 53.6 -69.5 -46.5 53.5 -11.5 9.5 31 35 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.849 100.6 59.1 -63.6 -36.2 51.5 -10.5 12.6 32 36 A F T 3< S+ 0 0 129 -4,-2.6 -1,-0.3 1,-0.3 3,-0.2 0.736 111.0 43.4 -65.9 -20.9 53.7 -12.3 15.1 33 37 A A T < S+ 0 0 73 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.429 125.5 32.7-100.2 -1.3 56.6 -10.2 13.9 34 38 A H X + 0 0 74 -3,-1.3 3,-2.0 -4,-0.4 4,-0.3 -0.100 66.9 140.8-144.9 37.9 54.6 -6.9 13.8 35 39 A L G >> + 0 0 64 1,-0.3 4,-2.6 -3,-0.2 3,-2.0 0.773 65.8 70.2 -63.9 -25.3 52.0 -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 0.718 91.8 60.9 -64.2 -19.5 52.5 -3.4 17.4 37 41 A E G <4 S+ 0 0 52 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.567 115.0 33.5 -78.2 -11.8 50.8 -2.6 14.1 38 42 A M T <4 S+ 0 0 27 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.749 124.1 30.6-109.7 -38.9 47.7 -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 -0.978 87.8-100.1-133.2 133.4 47.6 -3.7 19.1 40 44 A P - 0 0 126 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.245 50.4-172.9 -53.7 138.4 48.8 -0.8 21.2 41 45 A S - 0 0 90 -5,-0.2 2,-0.3 -4,-0.0 -5,-0.0 -0.983 19.2-144.6-144.3 145.6 52.1 -1.8 22.8 42 46 A A - 0 0 92 -2,-0.3 2,-0.3 1,-0.0 -6,-0.0 -0.820 25.4-113.5-110.6 149.4 54.6 -0.5 25.4 43 47 A A - 0 0 102 -2,-0.3 2,-0.6 1,-0.0 -1,-0.0 -0.594 17.5-148.8 -76.6 140.1 58.4 -0.8 25.4 44 48 A V - 0 0 139 -2,-0.3 -1,-0.0 2,-0.0 2,-0.0 -0.947 31.9-123.6-109.9 107.3 59.9 -2.9 28.2 45 49 A S - 0 0 87 -2,-0.6 -2,-0.0 1,-0.1 0, 0.0 -0.221 21.2-161.6 -68.7 134.6 63.2 -1.2 28.8 46 50 A R S S+ 0 0 209 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.568 81.6 73.0 -80.4 -11.3 66.5 -3.0 28.5 47 51 A R 0 0 107 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.869 360.0 360.0-104.3 138.0 68.0 -0.1 30.6 48 52 A P 0 0 182 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.263 360.0 360.0 -57.0 360.0 67.2 0.2 34.3 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 0 103 0, 0.0 2,-0.4 0, 0.0 43,-0.2 0.000 360.0 360.0 360.0 -34.6 64.6 12.4 36.6 51 58 A H - 0 0 178 41,-0.1 43,-0.4 40,-0.0 2,-0.1 -0.979 360.0-110.0-130.5 145.1 66.6 15.4 35.7 52 59 A A - 0 0 31 -2,-0.4 2,-0.7 41,-0.2 40,-0.2 -0.386 27.0-133.0 -67.0 144.3 66.7 17.6 32.5 53 60 A L E -A 91 0A 71 38,-2.8 38,-2.1 42,-0.2 2,-0.6 -0.902 25.7-176.3-101.7 113.0 69.7 17.4 30.3 54 61 A A E +A 90 0A 45 -2,-0.7 36,-0.2 36,-0.2 3,-0.2 -0.905 21.4 151.9-116.3 106.5 70.9 20.8 29.4 55 62 A R E +A 89 0A 155 34,-2.9 34,-1.9 -2,-0.6 3,-0.2 -0.528 23.4 132.8-126.3 63.6 73.9 21.1 27.0 56 63 A L >> + 0 0 12 32,-0.3 3,-1.3 1,-0.2 4,-0.6 0.778 27.6 140.3 -85.7 -31.0 73.1 24.4 25.3 57 64 A G H >> + 0 0 56 1,-0.3 4,-0.8 2,-0.2 3,-0.6 0.098 59.9 45.3 40.1 -94.0 76.7 25.5 25.9 58 65 A A H >4 S+ 0 0 56 29,-0.8 3,-0.7 1,-0.3 4,-0.3 0.907 125.1 30.2 -49.6 -58.5 77.7 27.3 22.7 59 66 A I H <> S+ 0 0 2 -3,-1.3 4,-2.0 28,-0.3 3,-0.3 0.548 99.6 86.1 -82.8 -7.7 74.6 29.5 22.3 60 67 A A H << S+ 0 0 35 -3,-0.6 -1,-0.2 -4,-0.6 6,-0.2 0.824 84.1 58.9 -62.4 -31.7 74.0 29.7 26.1 61 68 A A T << S+ 0 0 81 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.903 111.5 39.3 -62.9 -41.9 76.3 32.6 26.3 62 69 A Q T 4 S+ 0 0 95 -4,-0.3 -2,-0.2 -3,-0.3 -1,-0.2 0.756 124.6 40.3 -80.7 -26.2 74.2 34.6 23.9 63 70 A L >< + 0 0 18 -4,-2.0 3,-1.5 1,-0.1 -1,-0.3 -0.742 68.8 177.9-126.5 82.8 70.9 33.4 25.4 64 71 A P T 3 S+ 0 0 113 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.854 81.6 37.4 -48.5 -49.4 71.3 33.3 29.2 65 72 A D T 3> S+ 0 0 76 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.032 77.8 122.9-100.3 26.5 67.8 32.1 30.1 66 73 A L H <> S+ 0 0 1 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.885 71.8 53.8 -57.6 -42.1 67.4 29.7 27.2 67 74 A E H > S+ 0 0 70 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.926 109.9 47.6 -61.5 -42.9 66.7 26.7 29.4 68 75 A Q H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 110.7 52.3 -63.6 -36.8 63.9 28.6 31.2 69 76 A R H X S+ 0 0 42 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.888 109.4 49.2 -67.2 -37.7 62.5 29.7 27.8 70 77 A L H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 3,-0.4 0.907 110.9 50.1 -65.6 -41.7 62.5 26.1 26.6 71 78 A E H ><5S+ 0 0 104 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.915 106.6 55.8 -60.6 -43.4 60.7 25.0 29.8 72 79 A Q H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 108.1 48.4 -61.9 -28.2 58.1 27.8 29.3 73 80 A T T 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -3,-0.4 280,-0.2 -0.032 117.5-111.8-104.2 28.8 57.3 26.4 25.9 74 81 A Y T < 5 - 0 0 112 -3,-1.8 279,-2.3 1,-0.2 2,-0.3 0.850 47.3-171.0 49.8 47.1 57.0 22.8 27.2 75 82 A T E < +B 352 0A 4 -5,-2.2 277,-0.3 277,-0.2 -1,-0.2 -0.524 22.0 172.4 -76.2 131.4 60.1 21.6 25.4 76 83 A D E S+ 0 0 6 275,-2.9 16,-1.7 1,-0.4 2,-0.4 0.774 73.8 9.1-102.5 -44.1 60.7 17.9 25.4 77 84 A A E +BC 351 91A 0 274,-2.3 274,-3.2 14,-0.2 -1,-0.4 -0.998 63.7 177.2-141.6 135.2 63.6 17.7 23.0 78 85 A F E +BC 350 90A 0 12,-2.7 12,-2.6 -2,-0.4 2,-0.3 -0.998 7.1 170.2-139.2 131.3 65.7 20.5 21.5 79 86 A L E -BC 349 89A 0 270,-2.5 270,-3.0 -2,-0.4 2,-0.5 -0.984 18.4-159.2-148.4 133.1 68.7 20.1 19.2 80 87 A V E -BC 348 88A 0 8,-2.8 7,-2.4 -2,-0.3 8,-1.1 -0.955 7.5-168.6-113.7 119.0 70.8 22.5 17.1 81 88 A L E -BC 347 86A 1 266,-3.0 266,-2.9 -2,-0.5 2,-0.7 -0.930 1.5-171.4-106.6 113.8 72.8 21.0 14.3 82 89 A R E > -BC 346 85A 103 3,-3.0 3,-2.0 -2,-0.6 2,-0.4 -0.924 69.2 -42.2-106.7 113.2 75.3 23.5 12.8 83 90 A G T 3 S- 0 0 15 262,-2.5 264,-0.1 -2,-0.7 189,-0.1 -0.592 124.7 -29.4 63.9-122.6 76.8 21.9 9.7 84 91 A T T 3 S+ 0 0 123 -2,-0.4 2,-0.4 2,-0.0 -1,-0.3 0.324 121.8 96.0-102.6 5.4 77.4 18.3 10.7 85 92 A E E < S- C 0 82A 109 -3,-2.0 -3,-3.0 2,-0.0 2,-0.8 -0.834 70.9-134.6-108.0 131.6 78.0 19.2 14.4 86 93 A V E + C 0 81A 46 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.728 31.6 170.3 -76.9 111.8 75.5 19.0 17.3 87 94 A V E + 0 0 17 -7,-2.4 -29,-0.8 -2,-0.8 -28,-0.3 0.552 60.5 21.8-106.4 -11.6 76.2 22.4 19.0 88 95 A A E + C 0 80A 1 -8,-1.1 -8,-2.8 -31,-0.1 2,-0.3 -0.959 61.1 174.8-157.4 141.3 73.3 22.5 21.5 89 96 A E E +AC 55 79A 33 -34,-1.9 -34,-2.9 -2,-0.3 2,-0.3 -0.997 4.0 176.2-145.5 145.3 71.0 20.0 23.1 90 97 A Y E +AC 54 78A 8 -12,-2.6 -12,-2.7 -2,-0.3 2,-0.4 -0.965 0.2 177.4-148.0 136.0 68.2 19.9 25.7 91 98 A Y E -AC 53 77A 2 -38,-2.1 -38,-2.8 -2,-0.3 -14,-0.2 -0.995 28.9-121.9-136.5 133.7 65.9 17.2 26.9 92 99 A R > - 0 0 95 -16,-1.7 3,-1.9 -2,-0.4 2,-0.2 -0.135 46.8 -75.9 -65.8 165.2 63.4 17.5 29.7 93 100 A A T 3 S+ 0 0 44 1,-0.3 -41,-0.2 -43,-0.2 -1,-0.2 -0.444 122.6 22.1 -59.7 129.2 63.4 15.4 32.8 94 101 A G T 3 S+ 0 0 60 -43,-0.4 2,-0.6 -2,-0.2 -1,-0.3 0.329 101.5 97.7 94.6 -8.9 62.1 11.9 31.9 95 102 A F < - 0 0 18 -3,-1.9 -42,-0.2 -19,-0.1 -1,-0.1 -0.957 63.8-149.0-115.2 115.6 62.8 12.2 28.1 96 103 A A > - 0 0 29 -2,-0.6 3,-2.1 1,-0.1 -4,-0.1 -0.446 24.7-112.8 -83.1 154.5 66.0 10.6 27.0 97 104 A P T 3 S+ 0 0 57 0, 0.0 165,-0.4 0, 0.0 164,-0.4 0.797 119.1 43.7 -52.8 -33.2 68.2 11.8 24.1 98 105 A D T 3 S+ 0 0 42 162,-0.1 2,-0.1 163,-0.1 162,-0.1 0.271 88.4 114.7-100.7 9.0 67.3 8.7 22.1 99 106 A D < - 0 0 58 -3,-2.1 162,-0.4 1,-0.1 2,-0.3 -0.493 66.1-122.5 -74.0 150.1 63.6 8.7 23.0 100 107 A R - 0 0 83 160,-0.2 2,-0.4 -2,-0.1 160,-0.2 -0.665 23.5-160.6 -96.0 154.1 61.2 9.2 20.1 101 108 A H E -H 259 0B 20 158,-2.4 158,-1.6 -2,-0.3 251,-0.0 -0.993 27.6-102.3-137.4 137.8 58.7 12.0 20.0 102 109 A L E -H 258 0B 53 -2,-0.4 156,-0.3 156,-0.2 154,-0.1 -0.332 26.4-160.6 -58.1 136.7 55.5 12.5 17.9 103 110 A L > - 0 0 0 154,-3.3 3,-2.0 1,-0.2 -1,-0.1 0.603 13.3-170.2 -95.8 -14.0 56.1 14.9 15.0 104 111 A M T > S- 0 0 30 151,-0.7 3,-2.6 153,-0.4 153,-0.4 -0.278 73.7 -6.2 46.5-135.8 52.5 15.8 14.3 105 112 A S T >> S+ 0 0 11 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.516 116.9 83.0 -73.5 -1.4 52.4 17.8 11.0 106 113 A V H X> S+ 0 0 0 -3,-2.0 4,-1.0 1,-0.2 3,-0.9 0.820 81.9 72.8 -58.0 -26.0 56.2 17.9 10.7 107 114 A S H <> S+ 0 0 0 -3,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.806 84.3 64.5 -53.7 -32.7 55.3 14.5 9.3 108 115 A K H <> S+ 0 0 2 -3,-1.4 4,-2.8 146,-0.5 -1,-0.2 0.878 96.7 53.7 -61.9 -39.6 53.9 16.3 6.2 109 116 A S H S+ 0 0 0 -4,-1.7 5,-2.7 2,-0.2 6,-1.2 0.792 110.2 52.3 -73.8 -29.2 59.4 10.1 -7.0 119 126 A V H ><5S+ 0 0 37 -4,-2.0 3,-1.2 4,-0.2 -2,-0.2 0.922 107.0 53.4 -65.7 -44.4 59.3 13.4 -9.0 120 127 A D H 3<5S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.821 109.5 49.2 -57.6 -32.2 63.1 13.2 -9.3 121 128 A E T 3<5S- 0 0 101 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.593 115.7-117.5 -85.2 -11.5 62.7 9.7 -10.6 122 129 A G T < 5S+ 0 0 64 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.662 85.5 114.3 84.3 17.3 60.1 10.8 -13.2 123 130 A R S - 0 0 71 -2,-0.4 3,-2.1 1,-0.1 22,-0.4 -0.948 10.0-155.1-109.9 108.9 54.5 14.6 -12.6 126 133 A P T 3 S+ 0 0 21 0, 0.0 22,-2.8 0, 0.0 23,-0.4 0.709 93.1 62.1 -55.1 -21.8 53.2 17.4 -10.4 127 134 A A T 3 S+ 0 0 76 20,-0.2 22,-0.0 19,-0.2 -3,-0.0 0.699 86.3 93.8 -78.8 -20.6 51.4 18.9 -13.3 128 135 A Q S < S- 0 0 68 -3,-2.1 19,-2.5 1,-0.1 20,-0.3 -0.381 87.4-102.9 -72.1 149.8 49.3 15.8 -13.7 129 136 A P B > -J 146 0C 43 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.394 28.1-115.6 -69.9 151.9 45.8 15.7 -12.1 130 137 A V G >> S+ 0 0 0 15,-2.1 4,-2.5 1,-0.3 3,-2.1 0.882 114.9 64.0 -49.8 -40.8 45.6 13.6 -8.9 131 138 A T G 34 S+ 0 0 34 11,-0.4 -1,-0.3 14,-0.3 7,-0.1 0.604 84.5 73.1 -68.1 -12.0 43.2 11.3 -10.7 132 139 A E G <4 S+ 0 0 114 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.809 115.9 22.9 -64.4 -29.8 46.0 10.3 -13.1 133 140 A Y T <4 S+ 0 0 35 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.1 0.731 136.4 33.0-108.0 -34.3 47.4 8.3 -10.2 134 141 A V >< + 0 0 0 -4,-2.5 3,-2.2 1,-0.1 -1,-0.2 -0.697 62.5 173.1-125.8 79.0 44.3 7.8 -8.0 135 142 A P G > S+ 0 0 61 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.785 73.8 71.4 -53.5 -30.7 41.3 7.5 -10.3 136 143 A E G 3 S+ 0 0 59 1,-0.3 -133,-0.1 -134,-0.2 -5,-0.1 0.584 82.4 70.6 -68.8 -9.3 39.1 6.6 -7.4 137 144 A L G X S+ 0 0 0 -3,-2.2 3,-1.8 5,-0.1 5,-0.3 0.425 71.2 122.5 -87.0 2.1 39.3 10.2 -6.2 138 145 A A T < S+ 0 0 60 -3,-2.1 3,-0.1 1,-0.2 4,-0.0 -0.344 70.4 30.2 -54.9 141.7 37.1 11.1 -9.1 139 146 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.390 105.6 95.8 85.1 -5.2 33.9 12.8 -7.9 140 147 A S S X S- 0 0 9 -3,-1.8 3,-2.3 53,-0.1 -1,-0.3 -0.557 98.3 -90.4-107.5 177.7 35.7 14.3 -4.9 141 148 A V T 3 S+ 0 0 14 51,-2.3 52,-0.1 1,-0.3 15,-0.1 0.680 125.8 63.9 -60.8 -15.5 37.3 17.6 -4.2 142 149 A Y T 3 S+ 0 0 0 -5,-0.3 2,-0.9 50,-0.3 -11,-0.4 0.294 75.4 102.5 -93.6 9.2 40.5 16.0 -5.6 143 150 A D S < S+ 0 0 81 -3,-2.3 3,-0.1 1,-0.1 -5,-0.1 -0.837 92.9 12.6 -93.0 105.1 39.0 15.5 -9.0 144 151 A G S S+ 0 0 53 -2,-0.9 -1,-0.1 1,-0.5 -2,-0.1 -0.432 97.6 105.0 125.8 -60.5 40.5 18.3 -11.1 145 152 A P - 0 0 11 0, 0.0 -15,-2.1 0, 0.0 -1,-0.5 -0.115 68.5-117.5 -55.8 152.6 43.4 19.7 -9.0 146 153 A S B > -J 129 0C 23 -17,-0.3 4,-1.4 -16,-0.1 -19,-0.2 -0.438 22.7-110.5 -85.1 163.9 47.0 18.9 -9.9 147 154 A V H > S+ 0 0 0 -19,-2.5 4,-2.7 -22,-0.4 -20,-0.2 0.871 121.2 56.3 -60.1 -36.3 49.4 16.9 -7.7 148 155 A L H > S+ 0 0 52 -22,-2.8 4,-2.5 -20,-0.3 168,-0.3 0.890 102.0 55.1 -64.9 -37.1 51.3 20.2 -7.3 149 156 A Q H 4>S+ 0 0 42 -23,-0.4 5,-2.5 2,-0.2 4,-0.3 0.839 109.3 48.0 -65.4 -30.1 48.2 21.9 -6.0 150 157 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.0 3,-0.2 -2,-0.2 0.944 110.9 50.8 -70.2 -48.2 48.0 19.1 -3.4 151 158 A L H 3<5S+ 0 0 0 -4,-2.7 166,-1.5 1,-0.3 -2,-0.2 0.865 118.1 38.0 -54.2 -40.9 51.7 19.6 -2.5 152 159 A D T 3<5S- 0 0 15 -4,-2.5 -1,-0.3 164,-0.2 -2,-0.2 0.418 107.9-126.7 -93.4 -0.7 51.2 23.4 -2.1 153 160 A M T < 5 + 0 0 0 -3,-1.0 49,-2.9 -4,-0.3 -3,-0.2 0.921 58.9 145.3 54.2 51.6 47.8 23.0 -0.5 154 161 A Q < + 0 0 27 -5,-2.5 45,-2.4 47,-0.3 2,-0.4 -0.365 31.5 109.0-113.5 49.8 46.0 25.3 -2.9 155 162 A I B -K 198 0D 1 47,-0.3 2,-0.5 43,-0.2 43,-0.2 -0.994 68.0-127.6-127.5 127.9 42.7 23.5 -3.1 156 163 A S + 0 0 32 41,-2.1 40,-0.5 -2,-0.4 2,-0.4 -0.635 38.4 177.0 -75.8 123.3 39.5 24.9 -1.5 157 164 A I - 0 0 8 -2,-0.5 2,-1.5 37,-0.2 37,-0.3 -0.988 39.0-127.7-133.7 136.3 38.0 22.1 0.7 158 165 A D + 0 0 109 35,-3.1 35,-0.4 -2,-0.4 2,-0.4 -0.682 53.2 150.8 -77.7 92.1 35.0 21.9 2.9 159 166 A Y - 0 0 15 -2,-1.5 2,-0.1 33,-0.1 -2,-0.1 -0.835 40.3-142.4-134.9 93.3 37.0 20.7 5.9 160 167 A N 0 0 92 -2,-0.4 5,-2.1 1,-0.2 4,-0.4 -0.354 360.0 360.0 -61.3 124.4 35.6 21.6 9.3 161 168 A E 0 0 124 3,-0.2 -1,-0.2 -2,-0.1 43,-0.0 0.799 360.0 360.0-101.4 360.0 38.5 22.4 11.7 162 ! 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 0.0 163 175 A S > 0 0 59 0, 0.0 4,-1.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 162.1 33.8 18.0 11.9 164 176 A E H > + 0 0 53 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.842 360.0 58.9 -74.3 -34.5 36.2 16.7 9.3 165 177 A V H > S+ 0 0 41 -5,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.894 112.0 38.7 -64.7 -41.2 39.2 17.1 11.6 166 178 A Q H > S+ 0 0 74 -6,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 116.1 51.6 -74.2 -43.6 37.8 14.7 14.2 167 179 A T H X S+ 0 0 27 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.858 106.5 55.8 -60.9 -36.5 36.3 12.4 11.6 168 180 A H H X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.914 109.8 45.5 -62.7 -43.5 39.7 12.2 10.0 169 181 A G H X>S+ 0 0 8 -4,-1.3 5,-2.4 1,-0.2 6,-1.1 0.868 112.6 49.8 -69.6 -36.7 41.3 11.1 13.2 170 182 A R H <5S+ 0 0 20 -4,-2.4 3,-0.4 4,-0.2 -2,-0.2 0.883 108.6 53.2 -68.1 -37.2 38.6 8.6 13.9 171 183 A S H <5S+ 0 0 4 -4,-2.4 76,-0.4 1,-0.2 -1,-0.2 0.763 113.8 43.4 -67.3 -24.8 38.9 7.1 10.4 172 184 A A H <5S- 0 0 3 -4,-1.0 -1,-0.2 12,-0.2 -2,-0.2 0.503 118.5-105.4-102.4 -8.7 42.6 6.7 11.0 173 185 A G T <5S+ 0 0 57 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.536 88.4 115.5 98.4 7.9 42.5 5.2 14.5 174 186 A W S - 0 0 151 -11,-0.1 3,-2.2 1,-0.0 -1,-0.0 -0.887 32.7 -91.1-112.4 149.8 31.8 6.3 15.8 179 191 A H T 3 S+ 0 0 203 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.333 114.8 27.4 -60.4 133.9 29.1 4.4 13.9 180 192 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.0 3,-0.1 0.268 88.8 136.6 96.6 -11.9 28.8 5.6 10.3 181 193 A D < - 0 0 17 -3,-2.2 -1,-0.3 1,-0.1 -4,-0.0 -0.301 67.1 -90.5 -66.2 151.5 32.5 6.7 10.2 182 194 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.294 35.0-123.6 -61.5 152.7 34.5 5.9 7.1 183 195 A A S S- 0 0 40 -3,-0.1 64,-0.3 -11,-0.0 2,-0.2 0.869 81.0 -8.2 -68.7 -38.9 36.3 2.5 7.4 184 196 A D S > S- 0 0 20 62,-0.1 4,-1.7 63,-0.1 -12,-0.2 -0.804 82.5 -83.4-147.7-176.1 39.8 3.8 6.8 185 197 A T H > S+ 0 0 0 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.873 121.5 55.5 -68.2 -37.2 41.8 6.9 5.7 186 198 A Y H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 108.1 48.0 -61.2 -46.1 41.3 6.3 2.0 187 199 A E H > S+ 0 0 77 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.892 109.0 54.4 -63.9 -39.3 37.5 6.1 2.3 188 200 A F H >< S+ 0 0 2 -4,-1.7 3,-1.3 1,-0.2 4,-0.4 0.911 105.1 53.7 -59.3 -43.2 37.5 9.3 4.4 189 201 A L H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.867 102.3 57.6 -62.4 -36.3 39.4 11.2 1.7 190 202 A T H 3< S+ 0 0 34 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.651 98.7 61.9 -69.8 -14.0 36.9 10.2 -1.0 191 203 A T T << S+ 0 0 67 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.586 80.3 110.0 -85.3 -10.6 34.1 11.9 1.1 192 204 A L < - 0 0 2 -3,-1.4 -51,-2.3 -4,-0.4 -50,-0.3 -0.424 45.0-178.5 -78.5 139.3 35.8 15.3 0.9 193 205 A R + 0 0 126 -35,-0.4 -35,-3.1 -53,-0.2 2,-0.3 -0.861 7.5 173.8-130.2 161.8 34.1 18.1 -1.2 194 206 A G - 0 0 32 -2,-0.3 -37,-0.2 -37,-0.3 -38,-0.0 -0.964 47.5 -96.6-159.1 173.8 34.8 21.7 -2.2 195 207 A D - 0 0 122 -2,-0.3 3,-0.1 1,-0.1 -38,-0.1 0.540 62.2-111.0 -77.7 -4.0 33.5 24.5 -4.4 196 208 A G S S+ 0 0 63 -40,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.279 74.2 131.9 97.6 -11.3 36.1 23.6 -7.1 197 209 A S + 0 0 57 -42,-0.1 -41,-2.1 -41,-0.0 -1,-0.3 -0.407 30.1 178.5 -74.9 151.5 38.2 26.7 -6.7 198 210 A T B +K 155 0D 65 -43,-0.2 -43,-0.2 -3,-0.1 3,-0.1 -0.870 44.3 70.8-139.9 173.4 42.0 26.4 -6.5 199 211 A G S S+ 0 0 35 -45,-2.4 2,-0.4 1,-0.3 -44,-0.1 0.086 75.3 95.9 105.3 -23.7 45.0 28.7 -6.2 200 212 A E S S- 0 0 113 -46,-0.2 -1,-0.3 100,-0.0 2,-0.2 -0.836 80.6-108.9-101.6 140.4 44.5 29.9 -2.6 201 213 A F + 0 0 12 98,-2.9 2,-0.4 -2,-0.4 100,-0.3 -0.453 39.1 171.1 -65.6 128.1 46.3 28.3 0.3 202 214 A Q - 0 0 53 -49,-2.9 2,-0.5 -2,-0.2 -47,-0.3 -0.903 30.3-135.6-136.0 114.1 44.1 26.3 2.6 203 215 A Y + 0 0 61 -2,-0.4 2,-0.3 -49,-0.1 -50,-0.0 -0.546 38.4 162.5 -70.9 118.5 46.0 24.2 5.1 204 216 A C >> - 0 0 0 -2,-0.5 3,-1.7 1,-0.1 4,-0.5 -0.939 38.1-150.9-145.4 118.6 44.3 20.8 5.1 205 217 A S H >> S+ 0 0 15 -2,-0.3 4,-1.2 1,-0.3 3,-0.6 0.740 93.9 71.6 -61.8 -23.9 45.8 17.6 6.5 206 218 A A H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.835 87.9 65.1 -59.1 -33.1 43.8 15.6 3.9 207 219 A N H <> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.895 99.9 49.3 -57.3 -42.6 46.1 16.9 1.2 208 220 A T H > - 0 0 26 -2,-0.3 4,-2.8 -215,-0.2 3,-0.5 -0.392 35.1-118.5 -54.4 143.9 52.9 0.7 1.6 223 235 A Y H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.888 116.3 62.5 -57.7 -35.9 53.5 4.3 2.6 224 236 A V H 3> S+ 0 0 40 25,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.918 110.5 38.2 -52.3 -45.7 55.2 2.9 5.7 225 237 A E H <> S+ 0 0 97 -3,-0.5 4,-3.2 2,-0.2 5,-0.2 0.870 113.2 55.1 -75.9 -38.0 57.8 1.2 3.4 226 238 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.893 103.7 56.0 -61.8 -38.1 58.0 4.1 0.9 227 239 A L H X>S+ 0 0 11 -4,-3.0 5,-2.8 -5,-0.2 4,-0.6 0.850 114.4 40.5 -64.1 -32.9 58.8 6.5 3.8 228 240 A S H <>S+ 0 0 51 -4,-0.9 5,-2.9 -5,-0.2 6,-0.4 0.948 117.1 46.1 -74.8 -53.6 61.8 4.2 4.6 229 241 A T H <5S+ 0 0 59 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.892 122.2 34.4 -61.5 -42.9 62.9 3.4 1.1 230 242 A Y H <5S- 0 0 20 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.623 140.1 -3.9 -91.6 -13.2 62.8 6.9 -0.3 231 243 A L T ><5S+ 0 0 0 -4,-0.6 3,-1.7 -5,-0.4 4,-0.5 0.501 120.7 49.9-137.8 -66.0 63.9 8.8 2.9 232 244 A W G > XS+ 0 0 19 -5,-2.8 3,-1.4 1,-0.3 5,-0.6 0.858 107.8 53.1 -63.6 -38.7 64.5 7.2 6.3 233 245 A A G 3 - 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