==== 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 GLUCURONIDASE 26-NOV-01 1GQI . COMPND 2 MOLECULE: ALPHA-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS CELLULOSA; . AUTHOR D.NURIZZO,T.NAGY,H.J.GILBERT,G.J.DAVIES . 1416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 964 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 3.7 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 . 5 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 . 2 0.1 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 452 31.9 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 8 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 9 7 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 1 1 2 0 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 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 84 0, 0.0 636,-0.2 0, 0.0 635,-0.0 0.000 360.0 360.0 360.0 101.2 6.3 19.6 13.5 2 6 A D - 0 0 66 445,-0.1 0, 0.0 634,-0.1 0, 0.0 0.250 360.0-114.2-107.8 11.5 6.8 16.1 14.9 3 7 A G S > S+ 0 0 7 3,-0.1 3,-1.2 481,-0.1 4,-0.0 0.421 79.7 123.3 80.0 -4.4 4.9 14.3 12.2 4 8 A Y T 3 S+ 0 0 33 1,-0.3 -1,-0.1 2,-0.1 444,-0.1 0.853 77.1 49.3 -61.4 -33.8 2.1 13.0 14.4 5 9 A D T > S- 0 0 69 1,-0.2 3,-2.3 479,-0.1 -1,-0.3 0.594 87.8-170.4 -80.4 -10.1 -0.5 14.6 12.2 6 10 A M T < - 0 0 2 -3,-1.2 -1,-0.2 1,-0.3 -3,-0.1 -0.364 69.5 -17.6 54.9-126.3 1.0 13.2 9.0 7 11 A W T 3 S+ 0 0 0 1,-0.2 2,-0.9 449,-0.1 -1,-0.3 0.347 120.3 87.7 -90.5 2.1 -0.7 14.9 6.0 8 12 A L < + 0 0 5 -3,-2.3 2,-0.8 2,-0.1 -1,-0.2 -0.504 53.5 149.0-100.3 60.2 -3.7 16.1 8.0 9 13 A R - 0 0 28 -2,-0.9 2,-1.4 474,-0.5 -3,-0.0 -0.839 29.2-167.1 -97.3 107.1 -2.0 19.4 9.1 10 14 A Y + 0 0 29 -2,-0.8 43,-0.1 3,-0.0 -2,-0.1 -0.569 29.5 147.2-100.5 70.8 -4.6 22.0 9.4 11 15 A Q - 0 0 83 -2,-1.4 3,-0.1 1,-0.1 40,-0.1 -0.752 58.9 -79.1-101.7 152.0 -2.5 25.1 9.6 12 16 A P - 0 0 70 0, 0.0 40,-0.2 0, 0.0 41,-0.2 -0.218 53.8 -99.4 -58.0 136.5 -3.6 28.4 8.2 13 17 A I - 0 0 7 39,-2.4 6,-0.1 1,-0.2 119,-0.1 -0.383 31.2-149.4 -56.2 126.5 -3.3 28.8 4.5 14 18 A A S S+ 0 0 75 -3,-0.1 2,-0.9 -2,-0.1 -1,-0.2 0.770 77.2 82.8 -77.0 -31.1 -0.1 30.8 3.9 15 19 A D > - 0 0 65 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.693 69.0-159.4 -74.7 108.9 -1.1 32.5 0.7 16 20 A Q H > S+ 0 0 115 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.832 87.3 52.4 -63.4 -34.4 -3.0 35.5 2.2 17 21 A T H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 113.2 43.8 -66.7 -42.5 -4.9 36.2 -1.1 18 22 A L H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 110.5 56.6 -69.5 -38.9 -6.1 32.5 -1.4 19 23 A L H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.938 105.5 50.9 -56.6 -45.4 -6.9 32.4 2.4 20 24 A K H X S+ 0 0 98 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.877 108.4 52.4 -62.4 -38.6 -9.2 35.4 2.0 21 25 A T H X S+ 0 0 61 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.932 110.6 46.0 -63.9 -45.8 -11.0 33.7 -0.9 22 26 A Y H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.914 110.8 54.8 -62.4 -39.8 -11.6 30.5 1.1 23 27 A Q H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.1 47.4 -61.1 -35.9 -12.8 32.6 4.1 24 28 A K H < S+ 0 0 136 -4,-1.8 3,-0.2 -5,-0.2 -1,-0.2 0.839 115.5 45.7 -73.4 -32.6 -15.3 34.3 1.8 25 29 A Q H < S+ 0 0 14 -4,-1.8 2,-0.6 1,-0.2 -2,-0.2 0.876 116.4 40.3 -82.7 -38.5 -16.5 31.0 0.4 26 30 A I < + 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 42,-0.2 -0.823 60.0 141.3-117.6 90.7 -16.9 28.9 3.6 27 31 A R S S+ 0 0 99 40,-2.9 2,-0.3 -2,-0.6 41,-0.2 0.647 70.4 25.8 -99.6 -18.6 -18.3 31.0 6.4 28 32 A H E -a 68 0A 55 39,-1.2 41,-2.7 -3,-0.2 2,-0.5 -0.956 63.9-139.7-145.7 157.6 -20.5 28.3 7.9 29 33 A L E -ab 69 59A 2 29,-0.7 31,-2.3 -2,-0.3 2,-0.6 -0.987 18.8-164.3-126.4 113.3 -20.7 24.5 8.2 30 34 A H E +ab 70 60A 12 39,-3.2 41,-2.2 -2,-0.5 2,-0.4 -0.911 14.8 166.9-107.0 118.6 -24.1 22.9 7.8 31 35 A V E +a 71 0A 10 29,-2.2 41,-0.1 -2,-0.6 46,-0.1 -0.926 10.9 174.0-135.0 110.1 -24.6 19.3 8.9 32 36 A A + 0 0 21 39,-0.7 -1,-0.1 -2,-0.4 45,-0.1 0.803 59.0 82.8 -83.2 -32.5 -28.1 17.9 9.3 33 37 A G - 0 0 11 38,-0.4 38,-0.0 1,-0.1 43,-0.0 -0.212 50.4-173.0 -74.6 165.0 -27.2 14.3 10.0 34 38 A D + 0 0 133 4,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.223 35.9 128.0-147.2 18.0 -26.1 12.8 13.3 35 39 A S S > S- 0 0 28 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.307 75.3-102.6 -66.8 160.7 -24.9 9.2 12.7 36 40 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.877 123.6 48.8 -54.8 -38.6 -21.5 8.3 14.1 37 41 A T H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.909 112.7 46.1 -71.6 -41.4 -20.0 8.6 10.5 38 42 A I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 111.5 53.2 -64.1 -40.1 -21.6 11.9 9.8 39 43 A N H X S+ 0 0 84 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.906 108.2 50.5 -60.8 -37.5 -20.5 13.1 13.2 40 44 A A H X S+ 0 0 8 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.903 111.2 48.5 -66.8 -39.7 -16.9 12.0 12.4 41 45 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 112.3 48.5 -63.0 -45.7 -17.1 14.0 9.1 42 46 A A H X S+ 0 0 10 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.904 110.5 50.4 -62.5 -41.3 -18.4 17.0 10.9 43 47 A A H X S+ 0 0 50 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.874 111.3 49.5 -64.1 -38.8 -15.7 16.8 13.5 44 48 A E H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.926 113.1 46.1 -67.3 -44.4 -13.0 16.6 10.8 45 49 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.5 0.873 110.9 53.0 -67.1 -36.5 -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 0.964 116.9 36.9 -63.0 -49.7 -14.7 21.6 12.1 47 51 A R H X S+ 0 0 117 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.905 121.5 46.5 -70.0 -37.8 -11.1 21.1 13.1 48 52 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.940 116.1 41.2 -72.4 -51.5 -9.8 21.2 9.5 49 53 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 6,-0.3 0.888 114.5 53.4 -61.8 -39.7 -11.7 24.3 8.3 50 54 A S H X>S+ 0 0 30 -4,-1.8 5,-1.2 -5,-0.5 4,-0.6 0.906 115.3 40.8 -62.5 -41.4 -11.1 26.1 11.6 51 55 A G H <5S+ 0 0 20 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.937 118.6 42.9 -72.4 -50.2 -7.4 25.4 11.3 52 56 A L H <5S+ 0 0 3 -4,-2.8 -39,-2.4 1,-0.2 -2,-0.2 0.839 122.0 39.5 -67.5 -33.5 -6.9 26.1 7.6 53 57 A L H <5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.487 102.6-130.2 -97.1 -2.8 -9.1 29.2 7.5 54 58 A N T <5S+ 0 0 112 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.877 73.4 91.5 55.0 42.8 -7.8 30.5 10.9 55 59 A K S > - 0 0 2 -2,-0.3 4,-2.0 40,-0.2 3,-0.7 -0.757 46.2-104.6-111.7 163.4 -26.9 12.4 1.7 74 78 A P T 34 S+ 0 0 50 0, 0.0 7,-0.2 0, 0.0 41,-0.1 0.824 122.2 56.9 -56.6 -27.9 -30.4 12.9 0.3 75 79 A D T 34 S+ 0 0 152 40,-0.2 40,-0.1 1,-0.2 41,-0.0 0.797 119.2 25.8 -75.9 -27.3 -31.6 10.6 3.2 76 80 A N T <4 S+ 0 0 33 -3,-0.7 -1,-0.2 1,-0.2 0, 0.0 0.496 117.3 55.6-117.6 -2.2 -30.1 12.7 6.0 77 81 A S X - 0 0 0 -4,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.893 54.2-167.1-134.2 101.0 -30.0 16.3 4.6 78 82 A P H > S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.841 92.7 58.7 -52.4 -32.9 -33.2 17.8 3.3 79 83 A L H > S+ 0 0 26 2,-0.2 4,-0.6 1,-0.2 26,-0.1 0.944 108.3 43.4 -62.5 -47.8 -31.1 20.6 1.7 80 84 A I H >4 S+ 0 0 1 -7,-0.2 3,-1.3 1,-0.2 5,-0.4 0.927 112.5 53.1 -63.4 -43.6 -29.1 18.1 -0.3 81 85 A A H >< S+ 0 0 35 -4,-2.4 3,-2.0 -8,-0.3 -1,-0.2 0.886 99.6 64.4 -60.1 -33.8 -32.3 16.2 -1.3 82 86 A S H 3< S+ 0 0 60 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.729 89.8 66.4 -65.3 -19.7 -33.8 19.4 -2.5 83 87 A L T << S- 0 0 42 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.624 93.1-145.0 -76.0 -12.0 -31.2 19.7 -5.2 84 88 A N < + 0 0 142 -3,-2.0 3,-0.1 -4,-0.3 -3,-0.1 0.928 28.6 173.7 47.1 55.7 -32.6 16.6 -6.9 85 89 A L > + 0 0 22 -5,-0.4 3,-1.0 1,-0.2 4,-0.5 0.763 18.2 166.3 -68.4 -23.5 -29.2 15.5 -8.0 86 90 A G T >> + 0 0 47 1,-0.2 4,-2.6 2,-0.2 3,-1.1 -0.078 56.7 3.9 55.4-137.0 -30.7 12.3 -9.3 87 91 A E H 3> S+ 0 0 165 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.807 124.6 63.2 -52.8 -37.6 -28.7 10.0 -11.5 88 92 A R H <4 S+ 0 0 113 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.850 113.1 35.2 -59.4 -42.0 -25.5 12.0 -11.4 89 93 A L H X4 S+ 0 0 3 -3,-1.1 3,-2.0 -4,-0.5 -2,-0.2 0.914 115.2 55.6 -77.6 -46.9 -25.3 11.4 -7.7 90 94 A Q H >< S+ 0 0 144 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.833 96.4 65.1 -56.5 -36.6 -26.6 7.9 -7.7 91 95 A A T 3< S+ 0 0 81 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.664 87.1 73.1 -62.0 -16.5 -24.0 6.7 -10.3 92 96 A L T X> S- 0 0 18 -3,-2.0 4,-1.1 1,-0.2 3,-0.6 0.480 91.7-155.5 -81.5 -3.7 -21.3 7.4 -7.7 93 97 A G T <4 - 0 0 34 -3,-1.8 22,-0.5 1,-0.2 23,-0.2 -0.007 39.7 -31.7 70.2-163.8 -22.3 4.3 -5.7 94 98 A A T 34 S+ 0 0 74 1,-0.2 25,-0.3 21,-0.1 -1,-0.2 0.555 138.1 25.5 -76.7 -11.3 -21.9 3.4 -2.1 95 99 A E T <4 S+ 0 0 40 -3,-0.6 -1,-0.2 23,-0.1 -2,-0.2 0.400 99.7 100.4-130.5 -2.3 -18.6 5.2 -1.4 96 100 A G < - 0 0 0 -4,-1.1 19,-0.6 -3,-0.2 20,-0.4 -0.242 46.1-169.6 -85.0 174.5 -18.5 8.0 -4.0 97 101 A Y E -DE 114 144A 5 47,-2.3 47,-2.2 17,-0.2 2,-0.4 -0.979 19.0-131.6-159.2 161.6 -19.3 11.7 -3.6 98 102 A L E -DE 113 143A 2 15,-2.7 15,-2.7 -2,-0.3 2,-0.5 -0.989 11.7-165.2-122.5 130.7 -19.9 15.0 -5.4 99 103 A L E +DE 112 142A 0 43,-2.9 43,-2.7 -2,-0.4 2,-0.4 -0.982 26.7 160.9-113.0 121.8 -18.2 18.2 -4.4 100 104 A E E -DE 111 141A 21 11,-1.8 11,-2.9 -2,-0.5 2,-0.5 -0.982 42.2-136.7-153.9 130.4 -19.9 21.2 -6.0 101 105 A Q E +D 110 0A 47 39,-2.6 9,-0.2 -2,-0.4 2,-0.2 -0.749 55.5 128.1 -76.5 126.4 -20.3 25.0 -5.7 102 106 A T E -D 109 0A 39 7,-2.6 7,-2.3 -2,-0.5 2,-0.4 -0.770 53.2 -91.6-157.6-163.1 -24.1 25.7 -6.2 103 107 A R E -D 108 0A 128 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.985 21.5-171.8-132.5 143.7 -27.1 27.4 -4.7 104 108 A I E > S-D 107 0A 3 3,-2.0 3,-2.2 -2,-0.4 -24,-0.0 -0.973 82.1 -17.6-134.4 119.3 -29.8 26.2 -2.4 105 109 A N T 3 S- 0 0 118 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.896 127.4 -55.6 51.4 44.4 -32.7 28.5 -1.7 106 110 A K T 3 S+ 0 0 180 1,-0.2 2,-0.3 -40,-0.0 -1,-0.3 0.371 110.8 126.0 71.1 -3.1 -30.6 31.5 -3.1 107 111 A R E < - D 0 104A 82 -3,-2.2 -3,-2.0 -41,-0.1 2,-0.5 -0.654 65.5-120.3 -83.5 140.0 -27.9 30.8 -0.6 108 112 A H E + D 0 103A 54 -2,-0.3 -41,-1.6 -5,-0.2 -40,-1.6 -0.712 47.7 162.9 -76.2 127.1 -24.3 30.3 -2.0 109 113 A V E -cD 68 102A 4 -7,-2.3 -7,-2.6 -2,-0.5 2,-0.4 -0.955 39.9-144.9-141.6 163.5 -23.1 26.9 -0.9 110 114 A V E -cD 69 101A 3 -42,-2.1 -40,-2.7 -2,-0.3 2,-0.3 -0.996 32.5-151.0-123.3 127.1 -20.5 24.2 -1.6 111 115 A I E -cD 70 100A 0 -11,-2.9 -11,-1.8 -2,-0.4 2,-0.5 -0.792 22.0-162.5-102.7 147.2 -21.9 20.7 -1.1 112 116 A V E +cD 71 99A 0 -42,-2.2 -40,-2.3 -2,-0.3 2,-0.4 -0.948 33.5 174.3-117.4 101.0 -20.4 17.5 -0.1 113 117 A A E +cD 72 98A 0 -15,-2.7 -15,-2.7 -2,-0.5 2,-0.3 -0.875 7.5 154.2-115.1 143.9 -23.0 15.1 -1.3 114 118 A A E - D 0 97A 0 -42,-1.5 -17,-0.2 -2,-0.4 -24,-0.1 -0.948 48.6-117.4-153.8 175.1 -23.1 11.3 -1.4 115 119 A N S S+ 0 0 48 -19,-0.6 2,-0.3 -22,-0.5 -40,-0.2 0.777 98.5 32.6 -88.2 -31.4 -25.3 8.3 -1.3 116 120 A S S > S- 0 0 31 -20,-0.4 4,-1.8 -23,-0.2 5,-0.1 -0.842 83.4-113.0-124.0 162.9 -24.0 7.0 2.0 117 121 A D H > S+ 0 0 47 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.900 117.6 53.3 -61.7 -39.8 -22.6 8.4 5.2 118 122 A V H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.864 104.2 56.2 -65.6 -33.7 -19.1 7.0 4.5 119 123 A G H > S+ 0 0 0 -25,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.902 106.0 51.3 -61.8 -38.7 -19.2 8.7 1.0 120 124 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.933 109.8 50.3 -60.0 -42.8 -19.8 12.0 2.9 121 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 112.2 45.6 -60.7 -50.2 -16.8 11.2 5.0 122 126 A Y H X S+ 0 0 8 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.917 114.4 48.9 -59.3 -43.8 -14.6 10.5 2.0 123 127 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.863 107.2 55.6 -63.6 -37.3 -15.9 13.6 0.2 124 128 A S H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.916 107.9 48.4 -62.5 -45.1 -15.2 15.7 3.4 125 129 A F H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.897 111.6 50.5 -62.2 -38.6 -11.6 14.6 3.4 126 130 A H H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.924 107.8 52.7 -65.8 -42.1 -11.3 15.4 -0.3 127 131 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.962 111.4 46.3 -58.2 -45.7 -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 0.932 109.1 55.8 -60.7 -44.2 -10.2 19.5 3.0 129 133 A R H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.872 102.4 56.1 -56.2 -36.9 -7.5 18.2 0.7 130 134 A L H <>S+ 0 0 15 -4,-2.4 5,-3.1 2,-0.2 -1,-0.2 0.925 112.3 42.2 -62.5 -42.2 -8.5 20.7 -2.0 131 135 A I H ><5S+ 0 0 0 -4,-1.7 3,-1.9 3,-0.2 -2,-0.2 0.934 112.6 52.8 -67.8 -46.9 -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 0.808 112.7 45.3 -58.1 -31.6 -4.7 22.0 1.9 133 137 A T T 3<5S- 0 0 6 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.147 116.4-114.2 -99.3 10.6 -3.3 21.8 -1.6 134 138 A Q T < 5 + 0 0 44 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.837 58.6 157.5 62.3 40.0 -4.4 25.3 -2.5 135 139 A H < - 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0 0 37 -3,-1.6 11,-1.7 -4,-0.3 2,-0.4 -0.498 60.0-133.6 -69.5 125.2 15.7 2.5 58.0 1120 415 B E B +H 1129 0L 46 -2,-0.3 9,-0.2 9,-0.2 -1,-0.1 -0.676 26.3 176.5 -77.7 126.9 17.7 2.3 61.2 1121 416 B T - 0 0 0 7,-1.9 159,-0.3 -2,-0.4 -1,-0.1 0.563 30.6-139.9-103.7 -15.8 20.4 -0.3 60.9 1122 417 B H > + 0 0 71 3,-0.2 3,-0.6 157,-0.1 4,-0.1 0.713 52.7 144.9 56.4 27.5 22.2 0.2 64.3 1123 418 B A T 3 S+ 0 0 25 5,-0.5 3,-0.1 1,-0.3 155,-0.1 0.894 82.3 0.4 -59.5 -44.5 25.5 -0.3 62.4 1124 419 B R T 3 S- 0 0 143 1,-0.7 -1,-0.3 153,-0.0 -2,-0.1 -0.548 128.1 -52.0-147.8 73.8 27.4 2.2 64.5 1125 420 B G S X S- 0 0 47 -3,-0.6 3,-0.8 3,-0.1 -1,-0.7 -0.071 90.7 -37.0 81.2 172.5 25.1 3.7 67.0 1126 421 B E T 3 S+ 0 0 180 1,-0.2 3,-0.1 -4,-0.1 -6,-0.0 -0.321 123.4 46.4 -61.4 148.2 21.6 5.2 66.6 1127 422 B G T 3 + 0 0 30 1,-0.1 2,-1.6 -2,-0.0 -1,-0.2 0.531 68.6 132.6 90.8 4.7 21.3 7.3 63.5 1128 423 B S < + 0 0 1 -3,-0.8 -7,-1.9 4,-0.1 -5,-0.5 -0.364 34.1 162.4 -85.2 56.0 22.9 4.6 61.4 1129 424 B T B > -H 1120 0L 27 -2,-1.6 4,-2.5 -9,-0.2 -9,-0.2 -0.334 54.7-111.9 -72.1 159.2 20.1 4.9 58.8 1130 425 B I H > S+ 0 0 0 -11,-1.7 4,-2.9 -14,-0.5 5,-0.2 0.926 120.8 53.0 -55.9 -45.6 20.6 3.6 55.3 1131 426 B G H > S+ 0 0 0 -14,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.918 109.5 47.5 -56.4 -44.8 20.6 7.2 54.1 1132 427 B N H >>S+ 0 0 30 -15,-0.4 5,-1.2 2,-0.2 6,-0.8 0.872 111.7 50.8 -67.9 -32.9 23.3 8.2 56.5 1133 428 B I H ><5S+ 0 0 6 -4,-2.5 3,-1.3 1,-0.2 6,-0.3 0.957 110.1 49.3 -64.9 -47.7 25.3 5.1 55.5 1134 429 B L H 3<5S+ 0 0 2 -4,-2.9 11,-0.3 1,-0.3 -2,-0.2 0.873 103.8 60.3 -57.7 -42.7 25.0 6.0 51.8 1135 430 B E H 3<5S- 0 0 49 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.704 113.6-120.2 -60.7 -21.2 26.1 9.6 52.6 1136 431 B G T S+ 0 0 8 -3,-1.3 4,-1.5 -4,-0.7 5,-0.9 0.361 82.4 113.2 102.7 -3.1 29.4 8.2 53.8 1137 432 B K T 4 S- 0 0 33 -278,-2.2 3,-2.4 3,-0.2 -2,-0.2 -0.242 77.7-111.4 -50.9 147.3 6.1 6.0 24.5 1156 451 B R T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -711,-0.1 -445,-0.1 0.812 118.3 44.6 -55.0 -36.8 5.0 9.6 24.3 1157 452 B N T 3 S- 0 0 12 3,-0.1 2,-1.2 -443,-0.1 -1,-0.3 0.230 104.5-130.5 -95.2 14.8 4.9 9.9 28.1 1158 453 B W S < S+ 0 0 0 -3,-2.4 -5,-2.1 -5,-0.2 -3,-0.2 -0.059 95.2 50.5 69.9 -32.6 8.3 8.2 28.6 1159 454 B T S S- 0 0 8 -2,-1.2 2,-1.8 -7,-0.2 -1,-0.2 0.456 90.6-134.4-120.9 -4.6 7.0 5.8 31.3 1160 455 B G S S+ 0 0 10 -283,-0.3 -1,-0.1 -7,-0.1 -283,-0.1 -0.601 92.6 57.5 85.5 -80.8 3.9 4.1 29.9 1161 456 B H S >> S- 0 0 0 -2,-1.8 3,-1.7 1,-0.1 4,-0.6 -0.696 86.8-136.1 -81.0 127.3 1.8 4.5 33.1 1162 457 B P T >4 S+ 0 0 3 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.862 100.9 59.6 -52.6 -36.4 1.7 8.2 33.9 1163 458 B F T >> S+ 0 0 0 1,-0.3 4,-0.9 2,-0.2 3,-0.8 0.662 85.8 74.0 -75.3 -12.7 2.3 7.6 37.6 1164 459 B V H <> S+ 0 0 8 -3,-1.7 4,-2.0 1,-0.2 3,-0.5 0.840 86.8 67.0 -63.4 -27.1 5.6 5.9 36.9 1165 460 B Q H S+ 0 0 1 -3,-0.8 4,-2.4 -4,-0.4 -1,-0.2 0.826 104.7 50.7 -66.8 -32.5 6.2 10.1 40.0 1167 462 B S H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.5 -1,-0.2 0.891 110.2 48.4 -70.1 -42.0 8.6 7.3 41.0 1168 463 B W H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.936 113.0 50.7 -60.6 -44.1 11.3 8.6 38.7 1169 464 B Y H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.950 110.9 46.3 -57.7 -53.7 10.7 12.1 40.3 1170 465 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.893 109.4 55.8 -59.3 -44.4 11.0 10.8 43.8 1171 466 B F H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.948 110.6 43.9 -54.9 -49.0 14.1 8.8 43.1 1172 467 B G H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.901 113.5 50.3 -66.1 -40.9 15.9 11.9 41.8 1173 468 B R H X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 3,-0.2 0.921 113.5 46.0 -60.0 -46.3 14.7 14.1 44.6 1174 469 B M H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.788 106.2 58.3 -71.4 -26.8 15.9 11.5 47.2 1175 470 B A H < S+ 0 0 0 -4,-1.9 -318,-0.5 -5,-0.2 3,-0.2 0.837 111.1 44.4 -66.7 -33.2 19.2 11.0 45.4 1176 471 B W H < S+ 0 0 12 -4,-1.4 -320,-2.7 1,-0.3 2,-0.3 0.911 137.5 8.3 -74.3 -46.9 19.7 14.8 46.0 1177 472 B D >< - 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0 0 9 -2,-0.4 9,-0.1 1,-0.1 -1,-0.1 -0.141 25.2-142.8 -51.8 131.4 -1.6 -11.8 28.3 1403 698 B V - 0 0 12 7,-0.3 2,-1.9 10,-0.1 -1,-0.1 -0.871 13.0-145.2 -97.1 108.1 1.8 -10.6 29.7 1404 699 B P + 0 0 20 0, 0.0 -301,-0.3 0, 0.0 -1244,-0.1 -0.419 61.5 94.6 -86.3 71.3 2.1 -6.9 28.6 1405 700 B E - 0 0 0 -2,-1.9 6,-0.3 3,-0.2 -529,-0.1 -0.928 60.3-147.0-152.2 127.1 5.8 -6.5 27.9 1406 701 B P S S+ 0 0 22 0, 0.0 -1244,-0.1 0, 0.0 -1,-0.1 0.887 92.3 55.7 -58.5 -40.6 7.7 -6.9 24.6 1407 702 B W S S+ 0 0 64 -535,-0.4 -534,-0.1 -532,-0.4 -536,-0.0 0.885 87.0 74.5 -66.0 -47.8 10.8 -8.3 26.0 1408 703 B H S > S- 0 0 31 1,-0.1 3,-1.9 -176,-0.1 4,-0.3 -0.473 78.5-130.0 -79.5 138.9 9.9 -11.3 28.0 1409 704 B P G > S+ 0 0 92 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.730 98.4 77.5 -55.9 -22.7 9.0 -14.4 25.9 1410 705 B A G > S+ 0 0 26 1,-0.3 3,-1.6 2,-0.2 -7,-0.3 0.794 82.5 66.1 -59.5 -28.6 5.8 -15.0 27.9 1411 706 B S G < S+ 0 0 0 -3,-1.9 -1,-0.3 -6,-0.3 -1250,-0.1 0.718 103.8 46.8 -66.3 -17.5 4.2 -12.2 25.9 1412 707 B S G < S+ 0 0 54 -3,-2.0 -1,-0.3 -4,-0.3 2,-0.2 0.333 82.7 128.1 -98.6 1.2 4.6 -14.5 22.8 1413 708 B S < - 0 0 46 -3,-1.6 -10,-0.1 -4,-0.2 -3,-0.0 -0.449 42.8-164.6 -66.3 129.7 3.2 -17.6 24.5 1414 709 B R + 0 0 111 -2,-0.2 -1,-0.1 -1204,-0.0 2,-0.1 0.250 39.2 139.3 -97.3 12.7 0.4 -19.2 22.5 1415 710 B V + 0 0 66 -16,-0.2 -1168,-0.1 1,-0.1 -1169,-0.0 -0.346 23.3 174.8 -61.4 133.1 -0.8 -21.4 25.4 1416 711 B L 0 0 33 -1170,-0.3 -1,-0.1 -2,-0.1 -16,-0.1 0.331 360.0 360.0-127.0 3.7 -4.6 -21.4 25.4 1417 712 B K 0 0 129 -18,-0.1 -1169,-0.0 -20,-0.0 -1,-0.0 -0.937 360.0 360.0-140.2 360.0 -5.5 -23.9 28.2