==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-OCT-08 3EYP . COMPND 2 MOLECULE: PUTATIVE ALPHA-L-FUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,S.HU,R.ROMERO,S.WASSERMAN,J.M . 918 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 67 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 4 0 0 0 4 1 1 2 0 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 2 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 PARALLEL BRIDGES PER LADDER . 6 6 0 2 0 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 24 A S 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.8 48.2 37.7 11.5 2 25 A L - 0 0 9 1,-0.0 3,-0.1 357,-0.0 357,-0.0 -0.621 360.0-125.2 -75.0 140.2 48.6 37.0 15.2 3 26 A A - 0 0 67 -2,-0.3 -1,-0.0 1,-0.1 385,-0.0 -0.599 32.9-107.3 -75.5 144.8 52.1 36.9 16.4 4 27 A P - 0 0 79 0, 0.0 2,-0.5 0, 0.0 385,-0.2 -0.344 30.4-131.0 -69.3 163.5 53.0 33.6 18.2 5 28 A C - 0 0 16 383,-2.5 385,-0.3 2,-0.1 438,-0.1 -0.974 54.4 -41.0-121.1 121.8 53.3 33.8 21.9 6 29 A G S S+ 0 0 53 -2,-0.5 2,-0.2 383,-0.1 238,-0.1 -0.274 111.1 0.4 69.7-147.4 56.3 32.3 23.8 7 30 A L S S- 0 0 76 238,-0.2 383,-0.4 383,-0.1 -2,-0.1 -0.513 71.3-163.4 -78.1 143.3 57.8 28.9 22.8 8 31 A V - 0 0 65 -2,-0.2 240,-0.1 381,-0.1 379,-0.1 -0.882 19.9 -97.6-129.8 156.1 56.1 27.1 19.9 9 32 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 240,-0.1 -0.396 32.1-123.7 -75.0 153.3 56.1 23.6 18.5 10 33 A S > - 0 0 41 238,-0.1 4,-2.4 194,-0.1 5,-0.2 -0.283 34.1 -98.9 -81.2 171.1 58.2 22.3 15.6 11 34 A A H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.920 127.1 50.7 -58.7 -40.0 56.9 20.7 12.5 12 35 A R H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 109.0 50.2 -61.8 -43.6 57.7 17.3 14.1 13 36 A Q H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 109.7 50.3 -69.1 -36.0 55.9 18.2 17.3 14 37 A L H X S+ 0 0 49 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.914 110.8 49.1 -66.5 -42.7 52.8 19.3 15.3 15 38 A E H X S+ 0 0 35 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.951 113.4 47.6 -60.9 -44.5 52.8 16.0 13.4 16 39 A W H >X S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 4,-0.8 0.925 109.2 52.7 -64.4 -44.1 53.1 14.0 16.6 17 40 A Y H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.899 104.7 56.8 -58.9 -40.3 50.4 15.9 18.4 18 41 A N H 3< S+ 0 0 120 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.670 92.0 69.8 -69.8 -16.4 48.0 15.2 15.5 19 42 A R H << S- 0 0 14 -3,-1.2 2,-2.6 -4,-0.7 -1,-0.2 0.887 74.4-173.6 -66.0 -36.8 48.4 11.4 15.9 20 43 A E << + 0 0 53 -3,-0.8 271,-2.4 -4,-0.8 2,-0.3 -0.328 64.3 36.8 70.5 -51.0 46.5 11.6 19.2 21 44 A M E -a 291 0A 13 -2,-2.6 2,-0.3 269,-0.2 48,-0.3 -0.913 63.5-173.5-129.0 150.2 47.2 7.9 19.9 22 45 A I E -a 292 0A 0 269,-2.8 271,-2.5 -2,-0.3 2,-0.3 -0.995 21.7-128.5-137.1 136.4 50.2 5.6 19.2 23 46 A A E -ab 293 70A 0 46,-3.2 48,-2.7 -2,-0.3 2,-0.4 -0.742 13.7-156.3 -87.2 143.4 50.5 1.9 19.8 24 47 A F E -ab 294 71A 1 269,-2.4 271,-2.5 -2,-0.3 2,-0.4 -0.893 3.3-163.3-107.4 143.2 53.4 0.3 21.7 25 48 A F E - b 0 72A 0 46,-2.0 48,-2.3 -2,-0.4 2,-0.8 -0.873 2.1-168.8-130.5 95.6 54.2 -3.4 21.0 26 49 A H + 0 0 5 -2,-0.4 237,-0.4 235,-0.4 2,-0.3 -0.819 30.5 142.5 -89.5 107.9 56.3 -4.9 23.7 27 50 A F + 0 0 2 -2,-0.8 2,-0.3 46,-0.2 55,-0.1 -0.994 13.0 91.8-151.2 138.4 57.5 -8.2 22.3 28 51 A G S > S- 0 0 4 -2,-0.3 3,-0.9 269,-0.2 4,-0.4 -0.979 84.0 -31.1 170.4-151.3 60.7 -10.2 22.5 29 52 A I G > S+ 0 0 1 -2,-0.3 3,-1.9 1,-0.2 4,-0.5 0.856 122.0 66.2 -67.5 -33.1 62.5 -12.9 24.3 30 53 A N G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 6,-0.5 0.847 91.5 64.6 -53.5 -33.4 60.9 -12.0 27.6 31 54 A T G < S+ 0 0 3 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.731 100.4 50.7 -63.7 -24.4 57.6 -13.2 26.1 32 55 A F G < S+ 0 0 24 -3,-1.9 -1,-0.3 -4,-0.4 2,-0.2 0.419 99.0 81.5-100.8 -0.6 58.9 -16.7 25.9 33 56 A E S < S- 0 0 51 -3,-1.3 2,-0.7 -4,-0.5 3,-0.4 -0.568 94.9 -95.0 -95.9 166.9 60.1 -16.8 29.5 34 57 A E S S- 0 0 132 1,-0.2 -2,-0.1 -2,-0.2 230,-0.1 -0.750 94.6 -24.5 -91.6 111.9 57.8 -17.5 32.4 35 58 A Y S S+ 0 0 141 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.891 91.8 152.8 55.7 52.6 56.5 -14.3 33.9 36 59 A V + 0 0 26 -6,-0.5 -1,-0.2 -3,-0.4 3,-0.2 -0.961 20.6 157.0-116.7 125.2 59.3 -11.9 32.8 37 60 A N S S+ 0 0 52 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.557 81.2 37.9-109.2 -19.9 59.0 -8.2 32.2 38 61 A E S S- 0 0 97 -8,-0.1 -1,-0.3 39,-0.1 2,-0.1 -0.907 82.5-154.6-136.5 101.4 62.5 -7.3 32.7 39 62 A G - 0 0 2 -2,-0.4 89,-0.2 -3,-0.2 -9,-0.0 -0.416 13.6-138.8 -85.4 154.8 64.9 -9.8 31.3 40 63 A D - 0 0 81 -2,-0.1 -1,-0.1 88,-0.1 38,-0.0 0.501 39.8-112.2 -94.1 -4.3 68.5 -10.4 32.4 41 64 A G S S+ 0 0 2 90,-0.0 91,-0.0 89,-0.0 37,-0.0 0.505 98.1 96.1 84.2 0.8 70.2 -10.9 29.1 42 65 A K + 0 0 147 2,-0.1 2,-0.1 3,-0.0 3,-0.0 0.470 47.6 114.6-102.8 -7.0 70.9 -14.5 30.0 43 66 A A S S- 0 0 12 1,-0.1 2,-0.3 35,-0.1 -14,-0.1 -0.455 75.2-107.0 -64.7 142.3 68.0 -16.2 28.3 44 67 A S > - 0 0 73 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.480 16.8-137.1 -67.2 128.4 68.9 -18.5 25.5 45 68 A T G > S+ 0 0 22 -2,-0.3 3,-1.9 1,-0.3 51,-0.5 0.796 98.2 76.2 -55.4 -28.2 68.1 -17.1 22.1 46 69 A A G 3 S+ 0 0 49 1,-0.3 50,-0.8 49,-0.2 -1,-0.3 0.770 81.9 67.2 -52.3 -34.5 66.8 -20.5 21.1 47 70 A I G < S+ 0 0 62 -3,-1.8 2,-0.8 48,-0.1 -1,-0.3 0.661 73.3 100.4 -67.6 -14.4 63.6 -19.9 23.2 48 71 A F < + 0 0 0 -3,-1.9 49,-2.0 -4,-0.3 48,-0.8 -0.614 44.2 137.3 -80.1 113.1 62.3 -17.2 20.9 49 72 A N - 0 0 68 -2,-0.8 -1,-0.1 47,-0.2 -3,-0.0 -0.322 31.0-171.1-161.1 66.1 59.8 -19.0 18.8 50 73 A P - 0 0 4 0, 0.0 250,-0.3 0, 0.0 3,-0.1 -0.353 11.2-156.6 -66.1 144.5 56.5 -17.4 17.9 51 74 A T S S+ 0 0 92 248,-1.0 249,-0.2 1,-0.1 250,-0.1 0.627 81.4 16.3-106.4 -12.5 54.2 -19.9 16.2 52 75 A A S S+ 0 0 20 248,-2.2 -1,-0.1 247,-0.2 248,-0.1 -0.116 78.6 176.5-153.0 42.4 51.8 -17.9 14.2 53 76 A L + 0 0 26 -3,-0.1 2,-0.2 246,-0.1 248,-0.2 -0.238 5.3 165.3 -64.0 131.6 53.3 -14.4 14.0 54 77 A D >> - 0 0 38 247,-1.5 4,-1.0 1,-0.1 3,-0.7 -0.722 21.9-175.3-153.8 94.9 51.4 -11.9 11.9 55 78 A C H 3> S+ 0 0 2 1,-0.2 4,-1.7 -2,-0.2 5,-0.1 0.669 88.3 66.7 -62.2 -18.1 52.1 -8.2 12.1 56 79 A R H 3> S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 96.7 54.2 -69.9 -37.4 49.2 -7.7 9.7 57 80 A Q H <> S+ 0 0 5 -3,-0.7 4,-1.7 1,-0.2 -2,-0.2 0.885 106.6 51.7 -60.7 -40.0 46.9 -8.9 12.6 58 81 A W H X S+ 0 0 0 -4,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.903 108.6 51.0 -64.2 -42.2 48.5 -6.2 14.8 59 82 A M H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.830 105.1 55.8 -69.3 -31.5 47.8 -3.6 12.1 60 83 A Q H X S+ 0 0 64 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.914 104.5 54.5 -67.7 -35.9 44.1 -4.7 11.9 61 84 A T H X S+ 0 0 3 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.942 110.9 45.2 -56.1 -48.6 43.9 -4.1 15.7 62 85 A L H <>S+ 0 0 0 -4,-1.5 5,-2.5 2,-0.2 4,-0.5 0.849 109.7 54.3 -67.8 -38.9 45.2 -0.6 15.2 63 86 A K H ><5S+ 0 0 105 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.969 110.4 45.9 -59.6 -50.8 42.9 0.1 12.2 64 87 A A H 3<5S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.697 114.5 50.5 -64.0 -19.8 39.8 -0.8 14.2 65 88 A A T 3<5S- 0 0 3 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.443 110.3-119.8-101.0 1.2 41.1 1.3 17.0 66 89 A G T < 5 + 0 0 36 -3,-1.7 -45,-0.2 -4,-0.5 -3,-0.2 0.706 59.9 150.8 65.4 26.9 41.8 4.4 15.0 67 90 A I < - 0 0 3 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.812 27.8-170.9 -95.3 119.1 45.6 4.3 15.9 68 91 A P + 0 0 42 0, 0.0 50,-2.4 0, 0.0 2,-0.3 0.507 63.9 40.3 -91.1 -3.6 47.7 5.9 13.2 69 92 A A E - c 0 118A 3 -48,-0.3 -46,-3.2 48,-0.2 2,-0.3 -0.969 58.3-161.7-153.3 151.0 51.2 5.0 14.5 70 93 A A E -bc 23 119A 0 48,-2.6 50,-2.0 -2,-0.3 2,-0.5 -0.997 5.5-159.8-145.4 133.9 53.1 2.1 16.1 71 94 A I E -bc 24 120A 2 -48,-2.7 -46,-2.0 -2,-0.3 2,-0.4 -0.970 14.3-160.0-114.9 116.9 56.3 1.6 18.1 72 95 A L E -bc 25 121A 0 48,-2.2 50,-2.7 -2,-0.5 2,-1.8 -0.785 25.5-120.5 -96.4 137.9 58.0 -1.8 18.3 73 96 A T E + c 0 122A 2 -48,-2.3 3,-0.3 -2,-0.4 -46,-0.2 -0.556 35.4 173.4 -70.5 87.4 60.5 -2.9 20.9 74 97 A A E S+ 0 0 0 -2,-1.8 8,-2.5 48,-1.5 2,-0.3 0.849 77.6 3.6 -66.9 -27.5 63.3 -3.8 18.5 75 98 A K E S-Dc 81 123A 1 47,-1.4 49,-2.7 -3,-0.2 -1,-0.3 -0.886 71.3-165.4-161.7 116.0 65.5 -4.3 21.6 76 99 A H > - 0 0 11 4,-0.6 3,-2.4 -2,-0.3 -38,-0.1 -0.359 51.0 -81.7 -90.5-179.6 64.5 -4.1 25.2 77 100 A A T 3 S+ 0 0 10 1,-0.3 51,-3.5 2,-0.1 52,-0.6 0.724 124.6 72.9 -61.1 -20.5 66.9 -3.9 28.1 78 101 A D T 3 S- 0 0 5 50,-0.2 -1,-0.3 49,-0.2 3,-0.1 0.724 105.4-130.9 -63.6 -21.9 67.5 -7.8 28.0 79 102 A G < + 0 0 1 -3,-2.4 2,-0.5 1,-0.3 -2,-0.1 0.427 55.8 145.9 86.2 3.3 69.4 -6.8 24.8 80 103 A F - 0 0 3 11,-0.1 -4,-0.6 1,-0.0 2,-0.4 -0.626 41.5-140.8 -74.6 122.3 67.7 -9.4 22.5 81 104 A C B -De 75 91A 0 9,-2.5 11,-1.8 -2,-0.5 -6,-0.2 -0.708 10.6-154.1 -94.1 129.4 67.4 -7.9 19.0 82 105 A L S S+ 0 0 1 -8,-2.5 22,-2.0 -2,-0.4 23,-1.0 0.413 81.8 56.4 -81.3 -0.7 64.2 -8.6 16.9 83 106 A W S S- 0 0 2 -9,-0.3 2,-2.4 20,-0.2 9,-0.2 -0.923 98.9-102.2-129.8 150.8 66.2 -8.1 13.6 84 107 A P - 0 0 50 0, 0.0 -2,-0.1 0, 0.0 7,-0.0 -0.448 49.7-168.2 -74.7 67.4 69.3 -10.0 12.4 85 108 A S > - 0 0 0 -2,-2.4 3,-0.6 1,-0.1 8,-0.1 -0.270 25.9-137.1 -55.2 144.5 71.8 -7.2 13.2 86 109 A K T 3 S+ 0 0 129 1,-0.2 -1,-0.1 61,-0.1 3,-0.1 0.454 98.8 63.8 -76.0 -3.3 75.3 -7.6 11.9 87 110 A Y T 3 S+ 0 0 97 1,-0.1 2,-0.3 57,-0.1 -1,-0.2 0.393 105.5 21.6-114.4 4.6 76.6 -6.5 15.2 88 111 A T < - 0 0 18 -3,-0.6 5,-0.1 1,-0.0 -1,-0.1 -0.968 49.3-144.6-158.0 162.1 75.5 -9.2 17.7 89 112 A D S S+ 0 0 103 -2,-0.3 2,-2.2 1,-0.1 5,-0.2 0.417 79.7 97.6-103.5 -10.2 74.4 -12.8 17.9 90 113 A Y S S+ 0 0 18 -11,-0.1 -9,-2.5 3,-0.1 2,-0.3 -0.500 76.8 79.6 -81.5 70.3 71.9 -12.1 20.7 91 114 A S B > S-e 81 0A 0 -2,-2.2 3,-2.2 -11,-0.2 -9,-0.2 -0.917 103.4 -67.0-156.3-177.5 69.1 -11.9 18.2 92 115 A V G > S+ 0 0 0 -11,-1.8 3,-1.9 1,-0.3 10,-0.3 0.756 114.3 79.3 -56.5 -25.8 66.5 -13.6 15.9 93 116 A K G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -10,-0.2 -3,-0.1 0.766 103.7 35.4 -52.3 -27.5 69.6 -14.8 13.9 94 117 A N G < S+ 0 0 73 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.117 95.6 113.3-123.0 18.5 69.9 -17.5 16.7 95 118 A A S < S- 0 0 8 -3,-1.9 -49,-0.2 2,-0.2 -46,-0.1 -0.393 72.4-126.8 -81.4 160.4 66.3 -18.1 17.5 96 119 A A S > S+ 0 0 49 -48,-0.8 3,-2.3 -50,-0.8 -47,-0.2 0.845 83.4 106.7 -74.5 -29.2 64.5 -21.3 16.8 97 120 A W G > >S- 0 0 11 -49,-2.0 3,-2.2 1,-0.3 5,-0.6 -0.137 101.0 -10.8 -56.4 125.1 61.9 -19.2 15.0 98 121 A K G > 5S- 0 0 113 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.782 119.0 -74.6 54.3 28.6 62.2 -19.7 11.3 99 122 A N G < 5S- 0 0 122 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.815 91.8 -55.9 51.2 33.6 65.4 -21.6 11.8 100 123 A G G < 5S+ 0 0 14 -3,-2.2 -1,-0.3 -8,-0.1 -2,-0.2 0.565 120.7 105.5 83.9 10.4 67.2 -18.3 12.5 101 124 A K T < 5 + 0 0 160 -3,-1.8 -3,-0.1 -4,-0.4 -2,-0.1 0.279 53.6 104.1-108.8 13.8 66.2 -16.7 9.2 102 125 A G < - 0 0 4 -5,-0.6 2,-0.3 -10,-0.3 -7,-0.1 -0.330 47.6-161.6 -95.4 171.3 63.5 -14.3 10.4 103 126 A D > - 0 0 22 -20,-0.1 4,-2.0 -2,-0.1 -20,-0.2 -0.797 5.5-176.3-155.8 100.3 63.2 -10.6 11.0 104 127 A V H > S+ 0 0 0 -22,-2.0 4,-2.8 -2,-0.3 -21,-0.2 0.910 88.2 56.1 -69.8 -36.5 60.4 -9.3 13.1 105 128 A V H > S+ 0 0 0 -23,-1.0 4,-2.9 1,-0.2 5,-0.3 0.946 108.1 50.4 -59.9 -45.5 61.4 -5.7 12.5 106 129 A R H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 111.3 46.4 -53.0 -60.1 61.1 -6.4 8.7 107 130 A E H X S+ 0 0 47 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.896 113.9 51.2 -49.3 -47.9 57.6 -8.0 9.1 108 131 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.966 112.9 41.0 -54.8 -61.7 56.6 -5.0 11.4 109 132 A V H X S+ 0 0 10 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.816 114.2 54.6 -64.2 -27.2 57.6 -2.2 9.0 110 133 A D H X S+ 0 0 80 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.954 110.0 46.1 -70.1 -46.1 56.2 -4.1 6.0 111 134 A A H X S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.2 6,-0.2 0.887 111.1 52.9 -61.0 -41.5 52.8 -4.4 7.7 112 135 A C H X>S+ 0 0 1 -4,-2.5 5,-2.7 2,-0.2 4,-0.6 0.950 111.4 46.3 -59.3 -48.4 52.9 -0.7 8.7 113 136 A E H ><5S+ 0 0 152 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.936 111.2 52.1 -59.0 -45.9 53.6 0.2 5.1 114 137 A E H 3<5S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.865 116.6 39.3 -58.7 -39.2 50.9 -2.1 3.8 115 138 A Y H 3<5S- 0 0 40 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.418 112.0-114.7 -96.8 1.5 48.3 -0.6 6.2 116 139 A G T <<5 + 0 0 61 -3,-1.1 2,-0.3 -4,-0.6 -3,-0.2 0.781 66.9 141.1 73.0 28.0 49.4 3.0 5.9 117 140 A L < - 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