==== 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 26-NOV-01 1GQK . COMPND 2 MOLECULE: ALPHA-D-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS; . 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) . 47281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 970 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 7.8 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 . 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 . 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 . 90 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 178 12.6 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 . 25 1.8 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 10 1 4 0 4 0 4 2 4 2 2 0 2 4 0 0 2 0 0 0 2 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 2 4 8 7 1 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 2 0 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, 0.0 636,-0.2 0, 0.0 635,-0.0 0.000 360.0 360.0 360.0 104.9 6.4 19.6 13.5 2 6 A D - 0 0 66 445,-0.1 0, 0.0 634,-0.1 0, 0.0 0.248 360.0-115.3-110.0 10.4 6.9 16.1 15.0 3 7 A G S > S+ 0 0 7 3,-0.1 3,-1.1 1,-0.1 4,-0.0 0.429 79.5 123.1 78.5 -0.8 5.0 14.3 12.3 4 8 A Y T 3 S+ 0 0 31 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.848 76.6 48.9 -62.0 -35.7 2.2 13.0 14.4 5 9 A D T > S- 0 0 70 1,-0.2 3,-2.5 479,-0.1 -1,-0.2 0.586 87.9-171.0 -80.1 -9.2 -0.4 14.7 12.2 6 10 A M T < S- 0 0 2 -3,-1.1 -1,-0.2 1,-0.3 -3,-0.1 -0.309 70.1 -16.9 52.0-122.9 1.1 13.2 9.0 7 11 A W T 3 S+ 0 0 1 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.357 120.5 87.6 -92.7 4.6 -0.6 14.9 6.1 8 12 A L < + 0 0 6 -3,-2.5 2,-0.8 2,-0.1 -1,-0.2 -0.481 53.3 149.8-100.5 62.4 -3.6 16.1 8.1 9 13 A R - 0 0 30 -2,-0.8 2,-1.4 474,-0.5 -3,-0.0 -0.824 28.6-167.1 -97.2 105.5 -1.8 19.4 9.1 10 14 A Y + 0 0 27 -2,-0.8 43,-0.1 3,-0.0 -2,-0.1 -0.571 29.6 147.2 -99.0 75.5 -4.5 22.0 9.4 11 15 A Q - 0 0 79 -2,-1.4 3,-0.1 1,-0.1 40,-0.1 -0.781 58.4 -80.3-106.3 151.8 -2.5 25.1 9.6 12 16 A P - 0 0 69 0, 0.0 41,-0.2 0, 0.0 40,-0.2 -0.200 54.2 -98.2 -55.6 137.6 -3.6 28.5 8.2 13 17 A I - 0 0 6 39,-2.2 6,-0.1 1,-0.1 119,-0.1 -0.409 30.2-148.6 -58.1 126.7 -3.2 28.9 4.5 14 18 A A S S+ 0 0 72 -2,-0.1 2,-0.8 -3,-0.1 -1,-0.1 0.830 78.1 83.5 -71.4 -36.2 0.1 30.8 3.9 15 19 A D > - 0 0 77 1,-0.2 4,-2.8 2,-0.1 5,-0.1 -0.619 68.7-159.4 -71.2 108.4 -1.0 32.6 0.8 16 20 A Q H > S+ 0 0 116 -2,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.846 87.7 50.1 -61.8 -38.8 -2.9 35.5 2.2 17 21 A T H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 114.1 44.5 -64.9 -47.5 -4.9 36.2 -1.0 18 22 A L H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 110.6 55.8 -63.5 -42.6 -6.0 32.6 -1.3 19 23 A L H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.929 106.4 50.2 -55.2 -47.9 -6.8 32.5 2.4 20 24 A K H X S+ 0 0 130 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.901 108.9 53.1 -59.6 -41.1 -9.2 35.4 2.1 21 25 A T H X S+ 0 0 63 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.942 110.1 45.8 -60.9 -46.3 -10.9 33.7 -0.8 22 26 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.897 111.0 54.6 -61.2 -42.6 -11.5 30.5 1.2 23 27 A Q H < S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.2 47.1 -60.9 -35.3 -12.7 32.6 4.2 24 28 A K H < S+ 0 0 137 -4,-2.0 3,-0.2 -5,-0.2 -1,-0.2 0.812 115.9 45.3 -75.5 -33.3 -15.3 34.4 2.0 25 29 A Q H < S+ 0 0 16 -4,-1.8 2,-0.7 1,-0.2 3,-0.2 0.873 116.5 41.6 -79.6 -39.7 -16.5 31.1 0.5 26 30 A I < + 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 42,-0.2 -0.808 60.7 140.4-116.6 93.6 -16.8 29.0 3.6 27 31 A R + 0 0 97 40,-3.2 2,-0.3 -2,-0.7 41,-0.2 0.682 69.6 26.4-102.7 -26.6 -18.3 31.0 6.5 28 32 A H E -a 68 0A 63 39,-1.4 41,-2.8 -3,-0.2 2,-0.5 -0.944 64.2-138.3-137.0 159.5 -20.5 28.3 8.0 29 33 A L E -ab 69 59A 3 29,-0.6 31,-2.1 -2,-0.3 2,-0.6 -0.969 19.0-164.4-122.3 113.4 -20.6 24.6 8.3 30 34 A H E +ab 70 60A 10 39,-3.1 41,-2.4 -2,-0.5 2,-0.4 -0.875 16.1 163.7-105.6 117.8 -24.0 22.9 7.9 31 35 A V E +a 71 0A 10 29,-2.0 41,-0.1 -2,-0.6 46,-0.1 -0.936 11.5 173.4-134.9 109.2 -24.5 19.4 9.0 32 36 A A + 0 0 22 39,-0.7 -1,-0.1 -2,-0.4 45,-0.1 0.804 59.1 83.8 -82.9 -32.1 -28.1 18.0 9.4 33 37 A G - 0 0 12 38,-0.4 38,-0.0 1,-0.1 44,-0.0 -0.156 49.4-174.1 -70.6 165.3 -27.1 14.4 10.1 34 38 A D + 0 0 129 4,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.225 36.1 127.7-149.5 17.8 -26.0 12.9 13.4 35 39 A S S > S- 0 0 28 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.294 75.2-103.6 -65.2 160.0 -24.9 9.3 12.8 36 40 A P H > S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.887 123.4 49.2 -54.1 -40.9 -21.4 8.4 14.1 37 41 A T H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.913 113.1 45.7 -68.4 -42.5 -19.9 8.6 10.6 38 42 A I H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.929 112.5 51.6 -65.2 -42.9 -21.5 12.0 9.9 39 43 A N H X S+ 0 0 82 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.854 108.5 51.8 -58.2 -38.0 -20.4 13.2 13.3 40 44 A A H X S+ 0 0 9 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.894 110.8 47.3 -67.8 -38.4 -16.9 12.1 12.5 41 45 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.929 112.1 50.6 -65.9 -44.0 -17.0 14.0 9.2 42 46 A A H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.908 109.5 50.1 -60.0 -46.1 -18.3 17.1 11.0 43 47 A A H X S+ 0 0 52 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.884 110.7 49.6 -63.0 -39.0 -15.6 16.9 13.6 44 48 A E H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.918 113.1 45.7 -66.5 -42.9 -12.9 16.7 10.9 45 49 A L H X>S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.5 0.895 111.3 54.1 -68.3 -37.6 -14.3 19.6 9.0 46 50 A Q H X5S+ 0 0 70 -4,-2.7 4,-1.7 -5,-0.2 11,-0.4 0.966 117.1 34.6 -60.0 -53.2 -14.7 21.6 12.2 47 51 A R H X5S+ 0 0 117 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.874 122.6 48.3 -68.2 -37.3 -11.0 21.1 13.2 48 52 A G H X5S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.3 0.950 115.4 39.7 -72.3 -52.8 -9.8 21.2 9.5 49 53 A L H X5S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 6,-0.3 0.920 115.4 53.8 -62.1 -42.5 -11.6 24.3 8.3 50 54 A S H > - 0 0 2 -2,-0.3 4,-1.9 40,-0.2 3,-0.5 -0.734 45.2-105.5-111.1 163.2 -26.9 12.5 1.8 74 78 A P T 34 S+ 0 0 47 0, 0.0 7,-0.2 0, 0.0 41,-0.1 0.850 122.0 57.3 -55.1 -30.9 -30.5 13.0 0.5 75 79 A D T 34 S+ 0 0 152 40,-0.2 40,-0.1 1,-0.2 41,-0.0 0.809 119.3 24.8 -72.5 -32.2 -31.5 10.7 3.3 76 80 A N T <4 S+ 0 0 34 -3,-0.5 -1,-0.2 1,-0.2 41,-0.0 0.482 118.9 53.1-116.0 -2.5 -30.1 12.8 6.2 77 81 A S >X - 0 0 0 -4,-1.9 4,-2.3 -45,-0.1 3,-0.7 -0.847 55.8-166.6-135.8 99.5 -30.0 16.4 4.8 78 82 A P H 3> S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.834 92.1 59.9 -52.6 -33.0 -33.2 17.8 3.4 79 83 A L H 3> S+ 0 0 28 2,-0.2 4,-0.5 1,-0.2 26,-0.1 0.920 107.9 44.4 -60.7 -43.6 -31.1 20.7 1.9 80 84 A I H X4 S+ 0 0 1 -3,-0.7 3,-1.1 -7,-0.3 5,-0.4 0.905 111.7 53.1 -66.7 -42.2 -29.1 18.2 -0.1 81 85 A A H >< S+ 0 0 36 -4,-2.3 3,-2.1 -8,-0.3 -2,-0.2 0.882 99.5 64.3 -60.8 -35.9 -32.2 16.3 -1.1 82 86 A S H 3< S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.742 88.9 67.7 -62.8 -22.5 -33.8 19.5 -2.4 83 87 A L T << S- 0 0 41 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.633 94.1-144.6 -73.1 -10.9 -31.1 19.8 -5.1 84 88 A N < + 0 0 141 -3,-2.1 -3,-0.1 -4,-0.2 -2,-0.1 0.907 29.2 173.3 45.9 54.9 -32.6 16.7 -6.8 85 89 A L > + 0 0 22 -5,-0.4 3,-1.1 1,-0.2 4,-0.4 0.772 17.5 163.7 -66.3 -25.1 -29.2 15.5 -7.8 86 90 A G T >> + 0 0 47 1,-0.2 4,-2.7 2,-0.2 3,-0.9 -0.080 58.7 4.6 52.3-133.8 -30.7 12.2 -9.1 87 91 A E H 3> S+ 0 0 170 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.809 125.5 63.1 -53.7 -36.9 -28.8 9.9 -11.5 88 92 A R H <4 S+ 0 0 119 -3,-1.1 -1,-0.2 2,-0.2 4,-0.2 0.880 113.4 33.3 -58.9 -43.3 -25.7 12.1 -11.3 89 93 A L H X4 S+ 0 0 3 -3,-0.9 3,-1.8 -4,-0.4 26,-0.2 0.905 115.4 57.6 -79.2 -44.7 -25.3 11.4 -7.5 90 94 A Q H >< S+ 0 0 144 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.845 95.8 64.0 -57.9 -37.1 -26.6 7.9 -7.6 91 95 A A T 3< S+ 0 0 80 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.704 87.7 72.2 -60.0 -21.0 -24.0 6.8 -10.2 92 96 A L T X> S- 0 0 21 -3,-1.8 4,-1.2 -4,-0.2 3,-0.6 0.519 92.3-157.7 -75.7 -5.9 -21.3 7.4 -7.6 93 97 A G T <4 - 0 0 34 -3,-1.8 22,-0.5 1,-0.2 23,-0.2 -0.034 40.4 -30.4 68.6-163.1 -22.4 4.4 -5.6 94 98 A A T 34 S+ 0 0 74 1,-0.2 25,-0.3 21,-0.1 -1,-0.2 0.609 139.1 26.1 -74.3 -10.4 -22.0 3.4 -2.0 95 99 A E T <4 S+ 0 0 41 -3,-0.6 -1,-0.2 23,-0.1 -2,-0.2 0.429 99.5 99.8-130.9 -2.2 -18.7 5.2 -1.3 96 100 A G < - 0 0 0 -4,-1.2 19,-0.5 -3,-0.1 20,-0.4 -0.233 46.2-169.5 -84.3 175.5 -18.6 8.0 -3.9 97 101 A Y E -DE 114 144A 4 47,-2.2 47,-1.9 17,-0.2 2,-0.4 -0.983 19.4-130.7-160.1 161.0 -19.3 11.7 -3.5 98 102 A L E -DE 113 143A 3 15,-3.2 15,-2.8 -2,-0.3 2,-0.5 -0.986 12.1-164.8-121.8 129.7 -19.9 15.0 -5.3 99 103 A L E +DE 112 142A 0 43,-3.5 43,-3.2 -2,-0.4 2,-0.3 -0.981 28.1 159.9-111.5 119.9 -18.1 18.2 -4.3 100 104 A E E -DE 111 141A 21 11,-1.8 11,-3.0 -2,-0.5 2,-0.5 -0.962 42.8-139.2-152.6 130.9 -19.9 21.2 -5.9 101 105 A Q E +D 110 0A 44 39,-2.7 9,-0.3 -2,-0.3 2,-0.2 -0.754 54.8 128.7 -79.6 125.7 -20.3 25.0 -5.6 102 106 A T E -D 109 0A 39 7,-2.6 7,-2.4 -2,-0.5 2,-0.4 -0.749 53.8 -87.5-155.7-161.8 -24.0 25.7 -6.2 103 107 A R E -D 108 0A 134 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.981 23.4-174.0-129.3 141.0 -27.0 27.4 -4.7 104 108 A I E > S-D 107 0A 3 3,-2.0 3,-1.9 -2,-0.4 -24,-0.0 -0.964 81.6 -18.9-132.8 117.7 -29.7 26.3 -2.3 105 109 A N T 3 S- 0 0 118 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.921 126.9 -55.1 49.7 51.0 -32.6 28.6 -1.6 106 110 A K T 3 S+ 0 0 186 1,-0.2 2,-0.3 -40,-0.0 -1,-0.3 0.399 111.7 126.5 63.4 2.2 -30.6 31.6 -3.1 107 111 A R E < - D 0 104A 85 -3,-1.9 -3,-2.0 -41,-0.1 2,-0.4 -0.696 65.2-121.1 -88.2 139.6 -27.8 30.9 -0.6 108 112 A H E + D 0 103A 51 -2,-0.3 -40,-1.5 -5,-0.2 -41,-1.5 -0.683 48.0 162.2 -75.8 128.1 -24.3 30.4 -1.9 109 113 A V E -cD 68 102A 3 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.4 -0.947 40.6-144.9-143.5 163.5 -23.0 27.0 -0.9 110 114 A V E -cD 69 101A 3 -42,-1.8 -40,-2.6 -2,-0.3 2,-0.3 -0.998 31.7-151.9-123.9 127.9 -20.5 24.3 -1.6 111 115 A I E -cD 70 100A 0 -11,-3.0 -11,-1.8 -2,-0.4 2,-0.5 -0.765 21.6-161.2-103.3 150.2 -21.8 20.8 -1.0 112 116 A V E +cD 71 99A 0 -42,-2.1 -40,-2.1 -2,-0.3 2,-0.4 -0.939 34.6 174.6-119.7 98.0 -20.3 17.6 -0.0 113 117 A A E +cD 72 98A 0 -15,-2.8 -15,-3.2 -2,-0.5 2,-0.3 -0.873 8.7 153.2-116.5 144.2 -23.0 15.2 -1.2 114 118 A A E - D 0 97A 0 -42,-1.3 -17,-0.2 -2,-0.4 -24,-0.1 -0.950 48.9-117.3-154.8 171.0 -23.1 11.4 -1.3 115 119 A N S S+ 0 0 46 -19,-0.5 2,-0.3 -22,-0.5 -40,-0.2 0.782 98.6 32.8 -84.0 -27.7 -25.4 8.4 -1.2 116 120 A S S > S- 0 0 32 -20,-0.4 4,-1.6 -23,-0.2 3,-0.2 -0.817 83.6-112.2-127.4 163.8 -24.0 7.0 2.1 117 121 A D H > S+ 0 0 46 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.897 117.4 52.7 -63.3 -40.3 -22.5 8.4 5.3 118 122 A V H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.826 104.7 57.4 -66.2 -29.8 -19.0 7.1 4.5 119 123 A G H > S+ 0 0 0 -25,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.892 105.8 50.0 -63.8 -40.1 -19.2 8.8 1.1 120 124 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.908 110.6 50.1 -62.2 -41.4 -19.8 12.1 3.0 121 125 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.944 112.4 45.2 -62.8 -47.9 -16.8 11.3 5.1 122 126 A Y H X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.928 114.3 49.8 -61.9 -43.1 -14.6 10.6 2.1 123 127 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.830 107.2 55.2 -62.8 -37.5 -15.9 13.7 0.4 124 128 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 107.6 48.7 -62.4 -45.7 -15.2 15.7 3.5 125 129 A F H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 111.4 50.0 -62.7 -38.3 -11.6 14.7 3.5 126 130 A H H X S+ 0 0 21 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 107.2 54.1 -67.0 -41.2 -11.3 15.5 -0.2 127 131 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.943 111.1 46.2 -56.3 -46.1 -12.8 19.0 0.4 128 132 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 3,-0.3 0.922 108.6 56.1 -61.4 -40.9 -10.1 19.5 3.1 129 133 A R H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.892 102.2 56.0 -60.8 -37.8 -7.5 18.2 0.7 130 134 A L H <>S+ 0 0 15 -4,-2.5 5,-3.7 2,-0.2 -1,-0.2 0.905 113.4 41.8 -58.7 -43.1 -8.5 20.8 -2.0 131 135 A I H ><5S+ 0 0 0 -4,-1.4 3,-1.8 -3,-0.3 -2,-0.2 0.930 112.6 51.8 -71.4 -46.5 -7.8 23.5 0.6 132 136 A Q H 3<5S+ 0 0 7 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.813 114.7 44.4 -58.6 -32.8 -4.7 22.0 2.0 133 137 A T T 3<5S- 0 0 5 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.178 116.2-115.6 -97.3 12.6 -3.3 21.8 -1.6 134 138 A Q T < 5 + 0 0 46 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.813 56.7 159.4 57.5 41.1 -4.5 25.3 -2.4 135 139 A H < - 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0 0 36 -3,-1.4 11,-1.5 -4,-0.5 2,-0.4 -0.468 60.1-134.0 -71.1 124.1 15.7 2.5 57.9 1120 415 B E B +I 1129 0M 53 -2,-0.3 9,-0.2 9,-0.2 -1,-0.1 -0.667 25.6 177.7 -76.7 127.4 17.8 2.4 61.1 1121 416 B T - 0 0 0 7,-2.1 159,-0.3 -2,-0.4 -1,-0.1 0.586 28.7-141.6-101.6 -16.3 20.5 -0.2 60.8 1122 417 B H > + 0 0 56 3,-0.2 3,-0.6 6,-0.2 4,-0.1 0.777 52.3 143.5 54.6 28.2 22.3 0.3 64.2 1123 418 B A T 3 S+ 0 0 28 5,-0.4 3,-0.1 1,-0.3 155,-0.1 0.895 82.8 3.6 -63.7 -39.1 25.6 -0.3 62.3 1124 419 B R T 3 S- 0 0 141 1,-0.8 -1,-0.3 153,-0.0 -2,-0.1 -0.560 129.4 -54.5-147.5 73.6 27.5 2.3 64.3 1125 420 B G S X S- 0 0 47 -3,-0.6 3,-0.9 -4,-0.1 -1,-0.8 -0.077 90.0 -36.7 80.2 173.9 25.2 3.6 66.9 1126 421 B E T 3 S+ 0 0 172 1,-0.2 3,-0.1 -4,-0.1 -6,-0.0 -0.401 123.0 46.9 -69.1 147.1 21.7 5.2 66.5 1127 422 B G T 3 + 0 0 34 1,-0.1 2,-1.7 -2,-0.1 -1,-0.2 0.504 68.8 132.5 92.5 6.5 21.4 7.3 63.4 1128 423 B S < + 0 0 1 -3,-0.9 -7,-2.1 4,-0.1 -5,-0.4 -0.406 34.1 162.1 -83.9 56.4 23.0 4.6 61.3 1129 424 B T B > -I 1120 0M 28 -2,-1.7 4,-2.6 -9,-0.2 -9,-0.2 -0.412 54.7-111.7 -73.3 160.1 20.2 5.0 58.7 1130 425 B I H > S+ 0 0 0 -11,-1.5 4,-3.1 -14,-0.5 5,-0.2 0.925 120.9 53.5 -57.4 -42.1 20.7 3.7 55.2 1131 426 B G H > S+ 0 0 0 -14,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.914 109.4 46.7 -61.1 -43.6 20.7 7.2 54.0 1132 427 B N H >>S+ 0 0 30 -15,-0.3 5,-1.3 2,-0.2 6,-0.8 0.863 112.3 51.3 -65.9 -36.4 23.4 8.2 56.5 1133 428 B I H ><5S+ 0 0 5 -4,-2.6 3,-1.2 2,-0.2 6,-0.3 0.952 111.2 47.6 -62.9 -49.8 25.4 5.2 55.4 1134 429 B L H 3<5S+ 0 0 3 -4,-3.1 11,-0.3 1,-0.3 -2,-0.2 0.883 104.3 59.9 -59.5 -41.6 25.0 6.1 51.7 1135 430 B E H 3<5S- 0 0 49 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.732 113.6-121.3 -61.5 -19.5 26.1 9.7 52.5 1136 431 B G T S+ 0 0 8 -3,-1.2 4,-1.3 -4,-0.7 5,-0.8 0.427 81.9 114.3 95.9 1.7 29.3 8.2 53.8 1137 432 B K T 4 S- 0 0 32 -278,-2.0 3,-2.3 3,-0.2 -2,-0.2 -0.277 77.9-111.6 -53.6 144.4 6.2 5.9 24.5 1156 451 B R T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -711,-0.1 -445,-0.1 0.842 118.0 43.9 -51.6 -36.8 5.0 9.6 24.2 1157 452 B N T 3 S- 0 0 11 3,-0.1 2,-1.3 1,-0.1 -1,-0.3 0.241 104.7-130.3 -96.2 12.0 4.9 9.9 28.0 1158 453 B W S < S+ 0 0 0 -3,-2.3 -5,-2.1 -5,-0.2 -3,-0.2 -0.067 95.1 52.2 72.6 -33.9 8.3 8.2 28.5 1159 454 B T S S- 0 0 8 -2,-1.3 2,-1.9 -7,-0.2 -1,-0.2 0.378 90.4-134.4-118.1 -4.6 7.0 5.8 31.2 1160 455 B G S S+ 0 0 10 -283,-0.3 -1,-0.1 -7,-0.1 -283,-0.1 -0.584 92.3 57.6 85.5 -82.4 3.9 4.1 29.8 1161 456 B H S >> S- 0 0 0 -2,-1.9 3,-1.9 1,-0.1 4,-0.6 -0.697 86.6-135.1 -82.1 126.2 1.8 4.6 33.0 1162 457 B P T >4 S+ 0 0 2 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.823 101.8 58.9 -50.0 -36.5 1.6 8.2 33.9 1163 458 B F T >> S+ 0 0 0 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.630 85.7 74.4 -76.9 -11.1 2.3 7.6 37.5 1164 459 B V H <> S+ 0 0 8 -3,-1.9 4,-2.1 1,-0.2 3,-0.4 0.830 87.3 67.3 -64.7 -28.5 5.7 5.9 36.9 1165 460 B Q H S+ 0 0 1 -3,-0.6 4,-2.5 -4,-0.4 -1,-0.2 0.831 105.6 51.3 -63.7 -34.5 6.3 10.2 39.9 1167 462 B S H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.4 -1,-0.2 0.915 110.9 47.1 -69.0 -44.0 8.6 7.3 40.9 1168 463 B W H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 114.0 51.2 -59.3 -44.9 11.4 8.6 38.6 1169 464 B Y H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.941 111.2 44.4 -58.2 -53.6 10.7 12.1 40.1 1170 465 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.909 110.4 57.3 -60.8 -42.4 10.9 10.9 43.7 1171 466 B F H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.929 109.9 43.0 -52.8 -51.5 14.0 8.8 42.9 1172 467 B G H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.879 112.9 51.3 -66.4 -40.9 15.9 11.8 41.7 1173 468 B R H X S+ 0 0 19 -4,-2.3 4,-2.6 1,-0.2 3,-0.2 0.936 113.0 46.8 -61.7 -42.9 14.8 14.1 44.5 1174 469 B M H < S+ 0 0 1 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.773 104.9 58.7 -71.3 -27.9 15.9 11.5 47.0 1175 470 B A H < S+ 0 0 0 -4,-1.8 -318,-0.4 -5,-0.2 3,-0.2 0.840 111.4 44.3 -68.2 -30.5 19.3 11.0 45.3 1176 471 B W H < S+ 0 0 10 -4,-1.5 -320,-2.6 1,-0.3 2,-0.3 0.908 136.8 8.8 -75.5 -47.6 19.8 14.8 45.9 1177 472 B D >< - 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0 0 57 -5,-0.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.932 56.6-110.0-126.0 150.0 -8.6 -23.7 56.0 1379 674 B P - 0 0 100 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.414 25.2-114.5 -79.8 151.8 -11.7 -21.8 54.9 1380 675 B I - 0 0 7 -2,-0.1 -65,-0.1 1,-0.1 6,-0.0 -0.733 50.6 -99.2 -75.4 126.4 -11.8 -18.2 53.8 1381 676 B P > - 0 0 30 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.210 31.1-116.9 -52.3 140.9 -13.9 -16.4 56.4 1382 677 B A T 3 S+ 0 0 97 1,-0.3 4,-0.2 -3,-0.0 -2,-0.1 0.644 106.2 66.6 -57.1 -27.7 -17.5 -16.0 55.5 1383 678 B N T 3 S+ 0 0 128 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.720 88.6 81.1 -69.8 -21.1 -17.6 -12.1 55.4 1384 679 B Y S < S- 0 0 35 -3,-1.9 2,-0.5 1,-0.1 -4,-0.0 -0.548 96.3 -99.3 -83.2 151.4 -15.2 -12.0 52.4 1385 680 B E - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.587 41.5-132.5 -68.7 121.2 -16.4 -12.5 48.8 1386 681 B Q - 0 0 98 -2,-0.5 2,-0.1 -4,-0.2 -1,-0.1 -0.563 20.7-111.7 -74.7 132.1 -15.6 -16.2 48.0 1387 682 B P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.453 20.7-146.8 -58.3 139.7 -13.9 -16.7 44.6 1388 683 B E S S+ 0 0 172 -2,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.826 78.0 59.9 -83.0 -28.9 -16.4 -18.5 42.3 1389 684 B H S S- 0 0 72 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.535 83.7-116.9 -96.8 166.0 -13.7 -20.4 40.5 1390 685 B D > - 0 0 99 -2,-0.2 4,-1.2 1,-0.0 3,-0.2 -0.245 35.0 -91.3 -92.4-179.3 -11.2 -22.9 41.9 1391 686 B L H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.882 122.1 59.4 -61.9 -41.0 -7.4 -22.9 42.0 1392 687 B E H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 100.7 56.6 -57.6 -40.5 -7.1 -24.8 38.6 1393 688 B Y H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 108.6 45.9 -57.9 -41.6 -9.0 -21.9 36.9 1394 689 B Y H X S+ 0 0 15 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.807 109.4 54.5 -74.1 -28.3 -6.4 -19.4 38.2 1395 690 B K H X S+ 0 0 64 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.918 109.2 49.2 -65.0 -40.2 -3.6 -21.7 37.2 1396 691 B M H X S+ 0 0 49 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.938 109.9 50.7 -62.8 -47.8 -5.2 -21.6 33.7 1397 692 B L H X S+ 0 0 32 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.868 106.1 55.6 -58.4 -37.3 -5.3 -17.8 33.8 1398 693 B A H < S+ 0 0 28 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 110.9 45.4 -63.0 -36.3 -1.7 -17.7 34.8 1399 694 B R H < S+ 0 0 106 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.786 125.1 31.0 -75.9 -24.8 -0.9 -19.7 31.7 1400 695 B T H < S+ 0 0 22 -4,-1.7 2,-0.5 -5,-0.1 -2,-0.2 0.599 83.1 108.5-115.7 -10.9 -3.1 -17.7 29.4 1401 696 B T S < S- 0 0 29 -4,-2.7 -166,-0.1 -5,-0.2 -4,-0.0 -0.568 78.1-105.6 -75.3 122.6 -3.3 -14.0 30.6 1402 697 B Y - 0 0 8 -2,-0.5 9,-0.1 1,-0.1 -1,-0.1 -0.154 24.6-140.7 -48.4 128.8 -1.4 -11.8 28.2 1403 698 B V - 0 0 12 7,-0.3 2,-2.0 10,-0.1 -1,-0.1 -0.860 13.8-144.7 -92.7 108.9 1.9 -10.5 29.6 1404 699 B P + 0 0 20 0, 0.0 -301,-0.3 0, 0.0 -1244,-0.1 -0.408 62.5 95.3 -83.2 72.7 2.2 -6.9 28.5 1405 700 B E - 0 0 0 -2,-2.0 6,-0.3 3,-0.2 -529,-0.1 -0.923 61.2-147.2-153.6 126.4 5.9 -6.5 27.8 1406 701 B P S S+ 0 0 17 0, 0.0 -1244,-0.1 0, 0.0 -1,-0.1 0.890 92.6 56.0 -56.9 -43.3 7.7 -6.8 24.5 1407 702 B W S S+ 0 0 64 -535,-0.5 -534,-0.1 -532,-0.4 -536,-0.0 0.901 86.6 77.2 -62.6 -53.1 10.9 -8.2 26.0 1408 703 B H S > S- 0 0 31 1,-0.1 3,-2.0 -176,-0.1 4,-0.2 -0.447 77.5-131.9 -72.4 135.5 9.9 -11.3 27.9 1409 704 B P G > S+ 0 0 91 0, 0.0 3,-2.4 0, 0.0 4,-0.4 0.738 98.2 77.3 -50.5 -29.7 9.2 -14.4 25.9 1410 705 B A G > S+ 0 0 25 1,-0.3 3,-1.3 2,-0.2 -7,-0.3 0.806 83.4 64.5 -55.4 -30.5 5.9 -15.0 27.8 1411 706 B S G < S+ 0 0 0 -3,-2.0 -1,-0.3 -6,-0.3 -1250,-0.1 0.708 104.5 46.8 -66.2 -18.7 4.3 -12.2 25.7 1412 707 B S G < S+ 0 0 53 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.367 84.6 126.1 -97.5 -1.8 4.8 -14.5 22.7 1413 708 B S < - 0 0 46 -3,-1.3 -10,-0.1 -4,-0.4 -3,-0.0 -0.400 44.0-164.9 -64.3 128.9 3.4 -17.6 24.4 1414 709 B R + 0 0 111 -2,-0.2 -1,-0.1 -1204,-0.0 2,-0.1 0.195 38.0 139.5-100.7 16.9 0.6 -19.2 22.5 1415 710 B V + 0 0 66 -16,-0.2 -1168,-0.1 1,-0.1 -1169,-0.0 -0.416 21.6 173.1 -63.3 130.6 -0.6 -21.4 25.4 1416 711 B L 0 0 35 -1170,-0.3 -1,-0.1 -2,-0.1 -16,-0.1 0.235 360.0 360.0-127.3 11.5 -4.4 -21.4 25.3 1417 712 B K 0 0 137 -18,-0.1 -1169,-0.0 -21,-0.0 -1170,-0.0 -0.944 360.0 360.0-139.1 360.0 -5.3 -24.0 28.0