==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-02 1H41 . COMPND 2 MOLECULE: ALPHA-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS CELLULOSA; . AUTHOR D.NURIZZO,T.NAGY,H.J.GILBERT,G.J.DAVIES . 1401 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 962 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 3 0.2 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 . 87 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 453 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.6 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 9 2 4 0 4 0 4 2 4 2 2 0 2 2 2 0 2 0 0 0 2 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 2 4 11 5 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 . 10 1 1 2 0 0 1 1 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 . 2 0 0 0 2 0 0 2 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 E 0 0 85 0, 0.0 629,-0.1 0, 0.0 628,-0.0 0.000 360.0 360.0 360.0 119.7 6.2 19.4 13.6 2 6 A D - 0 0 62 438,-0.1 0, 0.0 627,-0.1 0, 0.0 0.176 360.0-106.5-119.9 14.3 6.9 15.8 14.8 3 7 A G S > S+ 0 0 7 3,-0.1 3,-1.5 474,-0.1 4,-0.0 0.364 86.4 121.0 85.3 -19.4 5.0 13.9 12.1 4 8 A Y T 3 S+ 0 0 31 1,-0.3 -1,-0.1 2,-0.1 437,-0.1 0.933 77.8 45.6 -54.4 -37.2 2.2 12.9 14.4 5 9 A D T > S- 0 0 69 1,-0.2 3,-2.4 2,-0.1 -1,-0.3 0.672 88.7-172.1 -77.5 -11.0 -0.4 14.7 12.2 6 10 A M T < - 0 0 3 -3,-1.5 -1,-0.2 1,-0.3 -3,-0.1 -0.358 69.3 -17.7 55.6-124.3 1.1 13.2 9.0 7 11 A W T 3 S+ 0 0 0 1,-0.2 2,-0.9 442,-0.1 -1,-0.3 0.402 120.4 87.5 -93.4 2.7 -0.7 14.9 6.0 8 12 A L < + 0 0 6 -3,-2.4 2,-0.8 2,-0.1 -1,-0.2 -0.522 53.5 150.7 -99.4 60.9 -3.6 16.1 8.0 9 13 A R - 0 0 30 -2,-0.9 2,-1.5 467,-0.5 -3,-0.0 -0.832 27.9-167.6 -95.8 103.8 -1.9 19.4 9.0 10 14 A Y + 0 0 29 -2,-0.8 43,-0.1 3,-0.0 -2,-0.1 -0.563 30.2 145.8 -98.7 70.1 -4.6 22.0 9.5 11 15 A Q - 0 0 81 -2,-1.5 3,-0.1 1,-0.1 40,-0.1 -0.769 60.2 -79.1-103.9 152.1 -2.5 25.1 9.6 12 16 A P - 0 0 67 0, 0.0 40,-0.2 0, 0.0 41,-0.2 -0.238 55.0 -98.4 -57.5 135.3 -3.6 28.4 8.3 13 17 A I - 0 0 7 39,-2.4 6,-0.1 1,-0.1 119,-0.1 -0.325 31.0-148.0 -53.2 127.1 -3.2 28.8 4.5 14 18 A A S S+ 0 0 76 -3,-0.1 2,-0.8 4,-0.1 -1,-0.1 0.760 78.0 82.8 -78.1 -29.4 0.0 30.6 3.9 15 19 A D > - 0 0 66 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.716 68.8-159.2 -75.8 110.7 -1.0 32.4 0.7 16 20 A Q H > S+ 0 0 115 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.827 87.6 51.2 -67.1 -34.1 -2.9 35.4 2.2 17 21 A T H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.938 113.9 44.3 -66.3 -49.2 -4.9 36.2 -1.0 18 22 A L H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.867 110.0 56.1 -59.0 -42.8 -6.0 32.6 -1.3 19 23 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.934 106.3 50.6 -56.9 -43.3 -6.8 32.4 2.4 20 24 A K H X S+ 0 0 115 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.891 108.4 52.6 -64.4 -37.5 -9.1 35.4 2.1 21 25 A T H X S+ 0 0 64 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.934 110.4 46.3 -62.6 -47.6 -10.9 33.7 -0.8 22 26 A Y H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.904 109.5 55.7 -58.0 -41.4 -11.5 30.5 1.2 23 27 A Q H < S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 109.2 47.3 -62.1 -33.2 -12.7 32.6 4.1 24 28 A K H < S+ 0 0 104 -4,-1.7 3,-0.2 -3,-0.2 -1,-0.2 0.823 114.6 46.7 -74.8 -33.0 -15.3 34.3 1.9 25 29 A Q H < S+ 0 0 10 -4,-1.8 2,-0.6 1,-0.2 -2,-0.2 0.870 117.3 38.1 -78.8 -39.3 -16.4 31.0 0.4 26 30 A I < + 0 0 0 -4,-2.7 -1,-0.2 1,-0.1 42,-0.2 -0.838 59.6 142.9-122.1 92.9 -16.8 28.9 3.6 27 31 A R S S+ 0 0 95 40,-2.8 2,-0.3 -2,-0.6 41,-0.2 0.614 70.8 24.8-101.1 -17.0 -18.2 31.0 6.5 28 32 A H E -a 68 0A 54 39,-1.1 41,-2.6 -3,-0.2 2,-0.5 -0.969 63.8-138.1-147.3 158.9 -20.4 28.2 8.0 29 33 A L E -ab 69 59A 4 29,-0.7 31,-2.2 -2,-0.3 2,-0.5 -0.988 18.7-164.1-125.6 114.0 -20.6 24.4 8.2 30 34 A H E +ab 70 60A 13 39,-3.1 41,-2.2 -2,-0.5 2,-0.4 -0.903 15.2 166.3-106.0 116.9 -24.1 22.8 7.8 31 35 A V E +a 71 0A 10 29,-2.3 41,-0.1 -2,-0.5 46,-0.1 -0.918 10.5 172.8-134.8 109.9 -24.6 19.2 8.9 32 36 A A + 0 0 23 39,-0.7 -1,-0.1 -2,-0.4 45,-0.1 0.796 58.9 81.2 -82.9 -35.8 -28.1 17.9 9.4 33 37 A G - 0 0 11 38,-0.4 38,-0.0 1,-0.1 44,-0.0 -0.208 51.0-172.8 -72.6 167.2 -27.2 14.2 10.0 34 38 A D + 0 0 128 4,-0.0 -1,-0.1 8,-0.0 -3,-0.0 0.180 35.2 129.2-150.2 22.3 -26.0 12.8 13.2 35 39 A S S > S- 0 0 29 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.300 74.7-101.9 -70.5 161.8 -24.9 9.2 12.6 36 40 A P H > S+ 0 0 89 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.903 123.9 48.7 -53.5 -38.6 -21.4 8.2 14.0 37 41 A T H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.917 112.2 46.1 -72.3 -42.6 -20.0 8.5 10.5 38 42 A I H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.928 111.6 53.8 -65.7 -36.8 -21.5 11.9 9.7 39 43 A N H X S+ 0 0 83 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.877 107.0 51.0 -61.6 -36.9 -20.4 13.1 13.2 40 44 A A H X S+ 0 0 8 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.884 111.6 47.7 -67.7 -39.6 -16.9 12.0 12.3 41 45 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.929 112.3 49.5 -63.2 -46.1 -17.0 13.9 9.1 42 46 A A H X S+ 0 0 10 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.920 110.7 49.4 -60.5 -43.2 -18.4 16.9 10.9 43 47 A A H X S+ 0 0 50 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.873 111.5 49.7 -64.2 -39.4 -15.7 16.8 13.5 44 48 A E H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.920 113.2 45.6 -65.7 -46.7 -13.0 16.5 10.8 45 49 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.5 0.888 111.4 53.3 -63.2 -39.1 -14.4 19.5 8.9 46 50 A Q H X S+ 0 0 72 -4,-2.5 4,-1.8 -5,-0.2 11,-0.4 0.971 117.0 36.1 -62.5 -52.9 -14.7 21.6 12.0 47 51 A R H X S+ 0 0 120 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.906 122.4 46.5 -67.2 -37.9 -11.1 21.0 13.1 48 52 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.951 115.6 41.7 -73.4 -49.5 -9.8 21.2 9.5 49 53 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 6,-0.3 0.893 115.0 52.7 -62.4 -40.4 -11.6 24.2 8.3 50 54 A S H X>S+ 0 0 31 -4,-1.8 5,-1.2 -5,-0.5 4,-0.6 0.902 115.3 40.9 -62.3 -42.8 -11.0 26.0 11.6 51 55 A G H <5S+ 0 0 20 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.924 118.9 43.4 -67.8 -50.4 -7.3 25.4 11.3 52 56 A L H <5S+ 0 0 3 -4,-2.7 -39,-2.4 1,-0.2 -2,-0.2 0.827 122.2 38.0 -67.9 -36.7 -6.9 26.0 7.6 53 57 A L H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.464 102.7-129.9 -97.5 -4.9 -9.0 29.2 7.5 54 58 A N T <5S+ 0 0 111 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.887 73.8 90.3 58.1 42.8 -7.8 30.5 10.9 55 59 A K S - 0 0 2 -2,-0.3 4,-1.9 40,-0.2 3,-0.5 -0.756 46.3-104.4-110.2 164.0 -26.9 12.4 1.6 74 78 A P T 4 S+ 0 0 48 0, 0.0 7,-0.2 0, 0.0 41,-0.1 0.806 122.3 56.8 -56.9 -28.6 -30.4 12.8 0.3 75 79 A D T 4 S+ 0 0 153 1,-0.2 40,-0.1 40,-0.2 41,-0.0 0.854 119.0 26.1 -75.0 -31.3 -31.5 10.6 3.1 76 80 A N T 4 S+ 0 0 33 -3,-0.5 -1,-0.2 1,-0.2 0, 0.0 0.472 118.1 55.2-111.8 -4.0 -30.1 12.7 6.0 77 81 A S X - 0 0 0 -4,-1.9 4,-2.6 1,-0.1 3,-0.3 -0.867 54.0-168.3-135.8 97.8 -30.0 16.2 4.5 78 82 A P H > S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.840 92.3 58.9 -51.1 -33.9 -33.1 17.8 3.2 79 83 A L H > S+ 0 0 26 2,-0.2 4,-0.6 1,-0.2 26,-0.1 0.937 109.6 41.8 -60.8 -48.8 -31.0 20.6 1.7 80 84 A I H >4 S+ 0 0 1 -3,-0.3 3,-1.3 -7,-0.2 5,-0.4 0.930 112.6 54.1 -64.2 -42.8 -29.0 18.1 -0.4 81 85 A A H >< S+ 0 0 34 -4,-2.6 3,-1.9 -8,-0.3 -2,-0.2 0.884 100.0 63.9 -57.4 -33.3 -32.2 16.1 -1.3 82 86 A S H 3< S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.691 89.1 66.3 -70.4 -19.1 -33.7 19.4 -2.6 83 87 A L T << S- 0 0 44 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.617 93.5-145.0 -72.8 -13.2 -31.1 19.7 -5.3 84 88 A N < + 0 0 141 -3,-1.9 -2,-0.1 -4,-0.3 -3,-0.1 0.931 27.6 175.5 46.1 57.4 -32.6 16.6 -6.9 85 89 A L > + 0 0 23 -5,-0.4 3,-1.2 1,-0.2 4,-0.4 0.773 16.2 167.9 -69.2 -23.9 -29.1 15.5 -8.0 86 90 A G T >> + 0 0 48 1,-0.2 4,-2.5 2,-0.2 3,-1.0 -0.116 57.7 2.7 57.7-135.3 -30.5 12.3 -9.4 87 91 A E H 3> S+ 0 0 163 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.757 123.9 64.9 -60.3 -30.1 -28.5 10.0 -11.6 88 92 A R H <4 S+ 0 0 115 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.888 113.4 33.5 -64.3 -39.8 -25.4 12.2 -11.4 89 93 A L H X4 S+ 0 0 4 -3,-1.0 3,-1.8 -4,-0.4 -2,-0.2 0.904 115.8 55.6 -78.6 -47.1 -25.1 11.4 -7.7 90 94 A Q H >< S+ 0 0 141 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.833 96.2 65.2 -59.0 -33.5 -26.5 7.9 -7.8 91 95 A A T 3< S+ 0 0 78 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.677 87.3 72.4 -63.4 -17.9 -23.9 6.7 -10.4 92 96 A L T X> S- 0 0 20 -3,-1.8 4,-1.2 1,-0.2 3,-0.6 0.489 92.3-157.0 -79.9 -5.7 -21.2 7.4 -7.8 93 97 A G T <4 - 0 0 35 -3,-1.9 22,-0.6 1,-0.2 23,-0.2 -0.084 40.5 -29.2 70.7-159.4 -22.3 4.3 -5.8 94 98 A A T 34 S+ 0 0 74 1,-0.2 25,-0.4 21,-0.1 -1,-0.2 0.564 139.0 24.0 -79.9 -11.8 -21.9 3.3 -2.2 95 99 A E T <4 S+ 0 0 38 -3,-0.6 -1,-0.2 23,-0.1 -2,-0.2 0.405 99.0 99.8-129.9 -6.1 -18.6 5.1 -1.5 96 100 A G < - 0 0 0 -4,-1.2 19,-0.6 49,-0.1 20,-0.4 -0.234 47.4-167.1 -82.8 172.3 -18.5 8.0 -4.1 97 101 A Y E -DE 114 144A 4 47,-2.4 47,-1.9 17,-0.2 2,-0.4 -0.983 18.1-130.2-157.0 160.3 -19.3 11.6 -3.6 98 102 A L E -DE 113 143A 2 15,-3.2 15,-2.2 -2,-0.3 2,-0.5 -0.968 12.4-165.8-117.8 130.7 -19.9 14.9 -5.4 99 103 A L E +DE 112 142A 0 43,-3.3 43,-2.5 -2,-0.4 2,-0.4 -0.946 26.5 160.3-112.5 123.2 -18.2 18.2 -4.5 100 104 A E E -DE 111 141A 21 11,-1.8 11,-2.6 -2,-0.5 2,-0.5 -0.965 42.7-137.2-152.7 133.3 -19.9 21.2 -6.0 101 105 A Q E +D 110 0A 41 39,-2.5 9,-0.2 -2,-0.4 2,-0.2 -0.745 56.1 128.2 -82.5 125.5 -20.2 25.0 -5.7 102 106 A T E -D 109 0A 37 7,-2.5 7,-2.4 -2,-0.5 2,-0.4 -0.737 53.4 -91.8-157.8-166.0 -23.9 25.6 -6.2 103 107 A R E -D 108 0A 133 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.990 22.2-173.9-131.3 143.1 -27.0 27.3 -4.7 104 108 A I E > S-D 107 0A 3 3,-1.9 3,-2.1 -2,-0.4 -24,-0.0 -0.975 82.2 -14.8-134.3 122.0 -29.7 26.1 -2.4 105 109 A N T 3 S- 0 0 116 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.866 128.2 -57.9 51.3 41.3 -32.7 28.4 -1.6 106 110 A K T 3 S+ 0 0 185 1,-0.3 2,-0.3 -40,-0.0 -1,-0.3 0.380 110.0 127.1 67.5 3.0 -30.7 31.2 -3.1 107 111 A R E < - D 0 104A 82 -3,-2.1 -3,-1.9 -41,-0.1 2,-0.4 -0.672 65.8-118.2 -83.9 142.3 -27.8 30.7 -0.6 108 112 A H E + D 0 103A 54 -2,-0.3 -41,-1.7 -5,-0.2 -40,-1.6 -0.679 49.1 164.5 -75.5 127.2 -24.3 30.3 -2.0 109 113 A V E -cD 68 102A 3 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.4 -0.946 40.4-145.2-139.8 159.7 -23.0 26.8 -0.9 110 114 A V E -cD 69 101A 3 -42,-2.0 -40,-2.6 -2,-0.3 2,-0.3 -0.992 32.3-151.9-118.8 129.4 -20.4 24.2 -1.6 111 115 A I E -cD 70 100A 0 -11,-2.6 -11,-1.8 -2,-0.4 2,-0.5 -0.761 21.1-161.6-101.9 144.4 -21.9 20.7 -1.1 112 116 A V E +cD 71 99A 0 -42,-2.3 -40,-2.3 -2,-0.3 2,-0.3 -0.950 33.9 176.0-113.8 101.4 -20.3 17.5 -0.1 113 117 A A E +cD 72 98A 0 -15,-2.2 -15,-3.2 -2,-0.5 2,-0.3 -0.864 8.4 152.8-114.1 141.7 -23.0 15.1 -1.4 114 118 A A E - D 0 97A 0 -42,-1.4 -17,-0.2 -2,-0.3 -24,-0.1 -0.963 49.3-118.5-155.8 172.4 -23.0 11.3 -1.4 115 119 A N S S+ 0 0 46 -19,-0.6 2,-0.3 -22,-0.6 -40,-0.2 0.734 98.3 33.7 -85.2 -27.7 -25.3 8.3 -1.4 116 120 A S S > S- 0 0 30 -20,-0.4 4,-1.7 -23,-0.2 5,-0.1 -0.881 82.7-114.5-125.0 163.0 -23.9 6.9 1.9 117 121 A D H > S+ 0 0 46 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.910 117.3 53.5 -63.3 -39.7 -22.5 8.4 5.1 118 122 A V H > S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.887 104.7 56.1 -64.3 -32.8 -19.0 7.0 4.4 119 123 A G H > S+ 0 0 0 -25,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.893 105.8 51.3 -62.4 -36.7 -19.2 8.7 1.0 120 124 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.920 109.8 50.3 -63.4 -42.3 -19.8 11.9 2.8 121 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.944 111.9 46.3 -61.2 -50.0 -16.7 11.2 5.0 122 126 A Y H X S+ 0 0 8 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.933 113.7 48.8 -60.2 -41.1 -14.5 10.5 2.0 123 127 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.863 107.2 56.1 -69.0 -31.4 -15.8 13.6 0.2 124 128 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 107.4 49.0 -66.5 -41.3 -15.2 15.7 3.3 125 129 A F H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.901 111.3 49.6 -64.4 -38.2 -11.5 14.6 3.3 126 130 A H H X S+ 0 0 25 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.937 108.4 53.2 -67.2 -40.2 -11.2 15.5 -0.3 127 131 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.953 111.3 46.0 -56.4 -47.7 -12.8 18.9 0.3 128 132 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.926 109.5 55.4 -60.2 -43.3 -10.2 19.5 3.0 129 133 A R H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.867 102.1 56.3 -59.3 -37.9 -7.5 18.2 0.6 130 134 A L H <>S+ 0 0 14 -4,-2.4 5,-3.2 2,-0.2 -1,-0.2 0.916 113.0 42.3 -58.8 -42.6 -8.4 20.8 -2.0 131 135 A I H ><5S+ 0 0 0 -4,-1.6 3,-1.8 3,-0.2 -2,-0.2 0.929 112.1 52.5 -68.6 -49.0 -7.9 23.5 0.6 132 136 A Q H 3<5S+ 0 0 7 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 113.2 45.7 -56.0 -31.2 -4.7 22.0 1.9 133 137 A T T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.186 115.8-115.3-101.4 12.5 -3.3 21.8 -1.6 134 138 A Q T < 5 + 0 0 40 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.822 58.1 157.6 60.6 40.0 -4.4 25.3 -2.5 135 139 A H < - 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0 0 7 -2,-0.4 9,-0.1 1,-0.1 -1,-0.1 -0.194 24.3-142.5 -53.2 133.2 -1.5 -11.8 28.3 1390 698 B V - 0 0 13 7,-0.3 2,-2.0 10,-0.1 -1,-0.1 -0.875 13.4-145.0 -98.8 109.7 1.8 -10.6 29.6 1391 699 B P + 0 0 21 0, 0.0 -301,-0.3 0, 0.0 -1231,-0.1 -0.438 61.3 97.8 -86.2 69.6 2.1 -7.0 28.5 1392 700 B E - 0 0 0 -2,-2.0 6,-0.3 3,-0.2 -523,-0.1 -0.931 59.4-148.3-148.6 129.5 5.9 -6.6 27.8 1393 701 B P S S+ 0 0 20 0, 0.0 -1231,-0.1 0, 0.0 -1,-0.1 0.899 93.8 52.7 -58.4 -46.2 7.7 -6.9 24.4 1394 702 B W S S+ 0 0 62 -529,-0.4 -528,-0.1 -526,-0.4 -525,-0.0 0.894 87.9 77.3 -65.0 -45.7 10.9 -8.3 25.9 1395 703 B H S > S- 0 0 31 1,-0.2 3,-1.9 -176,-0.1 4,-0.3 -0.508 77.3-132.4 -79.7 134.1 9.9 -11.3 27.9 1396 704 B P G > S+ 0 0 91 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.693 98.4 77.7 -52.0 -23.7 9.1 -14.4 25.8 1397 705 B A G > S+ 0 0 24 1,-0.3 3,-1.5 2,-0.2 -7,-0.3 0.796 81.8 65.9 -59.4 -29.2 5.9 -15.0 27.8 1398 706 B S G < S+ 0 0 0 -3,-1.9 -1,-0.3 -6,-0.3 -1237,-0.1 0.706 104.0 47.3 -63.9 -16.8 4.2 -12.2 25.8 1399 707 B S G < S+ 0 0 53 -3,-1.8 -1,-0.3 -4,-0.3 2,-0.2 0.351 82.4 127.5 -99.5 -1.0 4.6 -14.5 22.7 1400 708 B S < - 0 0 45 -3,-1.5 -10,-0.1 -4,-0.2 -3,-0.0 -0.463 43.0-164.7 -63.7 128.8 3.3 -17.6 24.5 1401 709 B R + 0 0 109 -2,-0.2 -1,-0.1 -1191,-0.0 2,-0.1 0.191 39.3 139.2 -96.9 13.9 0.5 -19.2 22.5 1402 710 B V + 0 0 65 -16,-0.2 -1155,-0.1 1,-0.1 -1156,-0.0 -0.412 22.3 172.9 -60.2 131.7 -0.7 -21.4 25.4 1403 711 B L 0 0 34 -1157,-0.3 -1,-0.1 -2,-0.1 -16,-0.1 0.330 360.0 360.0-126.8 3.8 -4.5 -21.4 25.4 1404 712 B K 0 0 142 -18,-0.1 -1156,-0.0 -20,-0.0 -1157,-0.0 -0.905 360.0 360.0-137.2 360.0 -5.3 -24.0 28.2