==== 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 1GQJ . COMPND 2 MOLECULE: ALPHA-D-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) . 47390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 966 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 7.9 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 . 93 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 453 32.0 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 9 2 4 0 4 0 4 2 4 2 2 0 2 3 1 0 2 0 0 0 2 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 2 4 8 6 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 . 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 82 0, 0.0 636,-0.2 0, 0.0 635,-0.0 0.000 360.0 360.0 360.0 116.1 6.4 19.5 13.6 2 6 A D - 0 0 62 445,-0.1 0, 0.0 634,-0.1 0, 0.0 0.177 360.0-111.2-117.3 14.5 7.0 16.0 14.9 3 7 A G S > S+ 0 0 7 3,-0.1 3,-0.7 481,-0.1 4,-0.1 0.470 80.2 124.7 77.6 0.1 5.0 14.3 12.2 4 8 A Y T 3 S+ 0 0 33 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.864 78.1 45.8 -62.1 -35.0 2.1 13.1 14.4 5 9 A D T > S- 0 0 71 1,-0.2 3,-2.3 479,-0.1 -1,-0.2 0.611 89.4-173.4 -80.8 -13.5 -0.5 14.7 12.2 6 10 A M T < - 0 0 2 -3,-0.7 -1,-0.2 1,-0.3 3,-0.1 -0.294 68.5 -13.9 54.0-124.7 1.1 13.3 9.1 7 11 A W T 3 S+ 0 0 0 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.475 120.6 85.3 -91.6 1.1 -0.6 14.8 6.0 8 12 A L < + 0 0 6 -3,-2.3 2,-0.9 2,-0.1 -1,-0.2 -0.409 55.6 152.3 -94.0 58.1 -3.6 16.1 8.0 9 13 A R - 0 0 28 -2,-0.8 2,-1.5 474,-0.4 -3,-0.0 -0.776 27.6-167.1 -92.1 104.1 -1.9 19.4 9.0 10 14 A Y + 0 0 30 -2,-0.9 -1,-0.1 3,-0.0 43,-0.1 -0.542 31.1 145.9 -96.2 72.8 -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 -0.767 59.6 -80.3-105.9 149.7 -2.4 25.1 9.6 12 16 A P - 0 0 68 0, 0.0 41,-0.2 0, 0.0 40,-0.2 -0.196 54.4 -96.7 -56.1 137.8 -3.6 28.4 8.2 13 17 A I - 0 0 6 39,-2.4 6,-0.1 1,-0.2 119,-0.1 -0.390 32.6-149.2 -59.3 128.1 -3.3 28.8 4.5 14 18 A A S S+ 0 0 71 -3,-0.1 2,-0.9 -2,-0.1 -1,-0.2 0.811 77.7 81.1 -72.7 -37.3 -0.0 30.6 3.9 15 19 A D > - 0 0 76 1,-0.2 4,-2.8 2,-0.1 5,-0.1 -0.671 69.1-159.2 -75.8 105.7 -1.0 32.5 0.7 16 20 A Q H > S+ 0 0 121 -2,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.783 87.6 51.8 -58.0 -35.7 -2.9 35.4 2.2 17 21 A T H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 114.1 44.7 -66.1 -46.2 -4.9 36.2 -1.1 18 22 A L H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.887 109.3 56.1 -62.5 -40.8 -6.0 32.6 -1.3 19 23 A L H X S+ 0 0 10 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.946 106.6 50.4 -58.0 -43.2 -6.8 32.5 2.4 20 24 A K H X S+ 0 0 134 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.894 107.7 54.1 -60.5 -41.6 -9.2 35.4 2.0 21 25 A T H X S+ 0 0 61 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.928 110.6 44.2 -58.6 -48.2 -10.9 33.7 -0.9 22 26 A Y H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.880 110.9 56.1 -62.0 -40.9 -11.6 30.6 1.2 23 27 A Q H < S+ 0 0 52 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.845 109.2 45.7 -58.8 -36.5 -12.7 32.7 4.1 24 28 A K H < S+ 0 0 136 -4,-1.9 3,-0.2 -5,-0.2 -1,-0.2 0.845 116.6 46.9 -73.4 -34.8 -15.3 34.4 1.9 25 29 A Q H < S+ 0 0 13 -4,-1.7 2,-0.7 1,-0.2 -2,-0.2 0.896 115.6 39.6 -73.7 -45.3 -16.4 31.1 0.4 26 30 A I < + 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 42,-0.2 -0.839 60.5 142.2-116.1 97.7 -16.8 29.0 3.6 27 31 A R + 0 0 104 40,-3.8 2,-0.3 -2,-0.7 41,-0.2 0.652 68.6 25.6-105.6 -22.4 -18.3 31.0 6.4 28 32 A H E -a 68 0A 58 39,-1.2 41,-2.7 37,-0.1 2,-0.5 -0.954 63.8-138.2-140.6 157.5 -20.5 28.3 8.0 29 33 A L E -ab 69 59A 2 29,-0.7 31,-3.0 -2,-0.3 2,-0.6 -0.965 19.3-163.9-121.7 112.8 -20.6 24.5 8.3 30 34 A H E +ab 70 60A 12 39,-3.2 41,-2.3 -2,-0.5 2,-0.4 -0.857 17.0 162.8-104.7 115.7 -24.1 23.0 7.9 31 35 A V E +a 71 0A 11 29,-1.7 41,-0.1 -2,-0.6 46,-0.1 -0.941 10.9 170.7-135.7 111.9 -24.6 19.4 9.0 32 36 A A + 0 0 30 39,-0.6 -1,-0.1 -2,-0.4 45,-0.1 0.813 58.7 84.5 -85.6 -35.6 -28.1 18.1 9.6 33 37 A G - 0 0 11 38,-0.4 38,-0.0 1,-0.1 44,-0.0 -0.156 50.4-174.3 -67.5 161.7 -27.1 14.4 10.0 34 38 A D + 0 0 128 4,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.176 34.6 129.2-147.3 20.0 -26.0 12.9 13.3 35 39 A S S > S- 0 0 27 1,-0.1 4,-3.4 4,-0.0 5,-0.3 -0.363 74.9-101.9 -69.3 158.2 -24.9 9.4 12.7 36 40 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.892 124.0 47.0 -47.4 -44.5 -21.5 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 0.915 113.0 47.1 -68.9 -42.5 -20.0 8.7 10.6 38 42 A I H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.937 111.6 52.4 -63.2 -42.0 -21.6 12.0 9.9 39 43 A N H X S+ 0 0 84 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.849 108.3 50.7 -56.7 -39.2 -20.4 13.2 13.3 40 44 A A H X S+ 0 0 9 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.874 111.2 48.7 -65.9 -36.8 -16.9 12.1 12.4 41 45 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.942 112.6 47.5 -65.7 -47.1 -17.1 14.0 9.1 42 46 A A H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.905 110.9 51.7 -59.6 -44.6 -18.4 17.1 10.9 43 47 A A H X S+ 0 0 52 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.904 111.3 47.1 -60.0 -42.0 -15.7 16.9 13.5 44 48 A E H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.924 113.8 47.0 -65.6 -46.0 -13.0 16.7 10.8 45 49 A L H X>S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.5 0.921 111.5 52.4 -60.1 -41.7 -14.4 19.6 8.9 46 50 A Q H X5S+ 0 0 71 -4,-2.7 4,-1.6 -5,-0.2 11,-0.4 0.942 117.4 35.7 -61.0 -49.6 -14.7 21.7 12.1 47 51 A R H X5S+ 0 0 120 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.904 122.9 46.9 -69.4 -39.8 -11.1 21.1 13.1 48 52 A G H X5S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 5,-0.3 0.946 115.3 41.2 -68.8 -53.6 -9.8 21.2 9.5 49 53 A L H X5S+ 0 0 0 -4,-3.4 4,-2.5 -5,-0.2 6,-0.3 0.898 115.1 52.9 -62.9 -38.4 -11.6 24.3 8.3 50 54 A S H - 0 0 3 -2,-0.3 4,-2.0 40,-0.2 3,-0.4 -0.775 45.3-105.7-112.5 162.6 -27.0 12.4 1.8 74 78 A P T 4 S+ 0 0 50 0, 0.0 7,-0.2 0, 0.0 41,-0.1 0.852 123.0 55.8 -52.9 -34.2 -30.5 12.9 0.4 75 79 A D T 4 S+ 0 0 151 40,-0.2 40,-0.1 1,-0.2 41,-0.0 0.840 118.8 28.2 -69.2 -34.5 -31.6 10.6 3.2 76 80 A N T 4 S+ 0 0 34 -3,-0.4 -1,-0.2 1,-0.2 41,-0.0 0.529 117.5 51.8-109.1 -5.6 -30.1 12.8 6.1 77 81 A S X - 0 0 0 -4,-2.0 4,-2.2 1,-0.1 3,-0.4 -0.894 56.1-163.5-136.6 103.3 -30.0 16.4 4.8 78 82 A P H > S+ 0 0 101 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.846 93.4 59.4 -47.9 -37.8 -33.2 17.9 3.4 79 83 A L H > S+ 0 0 28 2,-0.2 4,-0.6 1,-0.2 26,-0.1 0.937 107.0 44.4 -59.8 -47.4 -31.1 20.7 1.8 80 84 A I H >4 S+ 0 0 1 -3,-0.4 3,-0.9 -7,-0.2 5,-0.4 0.898 111.3 54.8 -62.3 -42.7 -29.1 18.1 -0.3 81 85 A A H >< S+ 0 0 35 -4,-2.2 3,-2.0 -8,-0.3 -1,-0.2 0.906 98.9 63.5 -55.2 -40.7 -32.3 16.3 -1.2 82 86 A S H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.720 89.9 66.3 -59.7 -23.8 -33.8 19.6 -2.6 83 87 A L T << S- 0 0 43 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.665 93.8-144.9 -71.3 -14.2 -31.2 19.8 -5.3 84 88 A N < + 0 0 140 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 0.928 28.7 173.9 45.8 55.1 -32.7 16.7 -6.9 85 89 A L > + 0 0 21 -5,-0.4 3,-1.3 1,-0.2 4,-0.3 0.773 16.3 165.0 -63.8 -26.3 -29.2 15.5 -8.0 86 90 A G T >> + 0 0 48 1,-0.2 4,-2.5 2,-0.2 3,-0.8 -0.136 60.0 5.8 56.5-132.1 -30.7 12.3 -9.2 87 91 A E H 3> S+ 0 0 168 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.798 124.5 64.7 -54.7 -35.3 -28.7 10.0 -11.6 88 92 A R H <4 S+ 0 0 113 -3,-1.3 4,-0.2 1,-0.2 -1,-0.2 0.887 112.0 33.4 -59.1 -43.8 -25.6 12.2 -11.2 89 93 A L H X4 S+ 0 0 4 -3,-0.8 3,-1.3 -4,-0.3 -2,-0.2 0.875 115.8 57.6 -76.7 -43.8 -25.3 11.4 -7.5 90 94 A Q H >< S+ 0 0 142 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.830 95.4 62.8 -59.1 -36.5 -26.6 7.8 -7.8 91 95 A A T 3< S+ 0 0 83 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.754 89.0 72.8 -60.4 -23.0 -24.0 6.7 -10.3 92 96 A L T X> S- 0 0 19 -3,-1.3 4,-1.4 -4,-0.2 3,-0.6 0.494 91.9-158.1 -72.5 -5.9 -21.3 7.5 -7.6 93 97 A G T <4 - 0 0 34 -3,-1.7 22,-0.5 1,-0.2 23,-0.2 -0.028 41.4 -32.3 67.8-162.2 -22.5 4.3 -5.7 94 98 A A T 34 S+ 0 0 76 1,-0.2 25,-0.3 21,-0.1 24,-0.2 0.525 139.3 26.1 -79.8 -8.2 -22.1 3.4 -2.0 95 99 A E T <4 S+ 0 0 40 -3,-0.6 -1,-0.2 23,-0.1 -2,-0.2 0.452 99.2 99.0-129.7 -6.6 -18.7 5.2 -1.4 96 100 A G < - 0 0 0 -4,-1.4 19,-0.6 -6,-0.1 20,-0.4 -0.160 47.0-168.9 -81.5 176.1 -18.6 8.0 -3.9 97 101 A Y E -DE 114 144A 4 47,-2.3 47,-2.0 17,-0.2 2,-0.4 -0.989 18.4-131.3-159.9 164.0 -19.3 11.7 -3.6 98 102 A L E -DE 113 143A 2 15,-3.0 15,-2.0 -2,-0.3 2,-0.5 -0.980 11.8-164.7-124.7 128.6 -19.9 15.0 -5.4 99 103 A L E +DE 112 142A 0 43,-3.8 43,-3.3 -2,-0.4 2,-0.3 -0.987 26.3 160.8-113.1 124.5 -18.2 18.2 -4.4 100 104 A E E -DE 111 141A 23 11,-1.6 11,-2.8 -2,-0.5 2,-0.6 -0.969 42.1-137.5-151.9 130.0 -20.0 21.2 -6.0 101 105 A Q E +D 110 0A 50 39,-3.0 9,-0.2 -2,-0.3 2,-0.2 -0.748 55.5 130.6 -78.6 123.5 -20.3 25.0 -5.7 102 106 A T E -D 109 0A 39 7,-2.9 7,-2.1 -2,-0.6 2,-0.4 -0.708 51.9 -90.8-151.7-162.1 -24.0 25.6 -6.2 103 107 A R E -D 108 0A 135 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.993 22.1-174.2-130.9 142.2 -27.1 27.4 -4.7 104 108 A I E > S-D 107 0A 3 3,-1.7 3,-2.2 -2,-0.4 -24,-0.0 -0.978 81.9 -15.8-130.9 120.3 -29.7 26.4 -2.3 105 109 A N T 3 S- 0 0 111 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.915 127.2 -57.2 53.4 40.1 -32.7 28.7 -1.7 106 110 A K T 3 S+ 0 0 179 1,-0.2 2,-0.3 -40,-0.0 -1,-0.3 0.416 110.2 129.6 78.0 -7.7 -30.6 31.5 -3.2 107 111 A R E < - D 0 104A 107 -3,-2.2 -3,-1.7 -41,-0.1 2,-0.4 -0.612 64.8-118.0 -84.9 139.4 -27.9 30.9 -0.7 108 112 A H E + D 0 103A 55 -2,-0.3 -40,-1.8 -5,-0.2 -41,-0.8 -0.576 49.9 164.0 -70.2 125.0 -24.3 30.5 -1.9 109 113 A V E -cD 68 102A 3 -7,-2.1 -7,-2.9 -2,-0.4 2,-0.5 -0.987 40.1-144.7-150.3 153.1 -23.1 27.0 -0.8 110 114 A V E -cD 69 101A 4 -42,-3.0 -40,-2.0 -2,-0.3 2,-0.4 -0.950 30.4-152.7-117.0 115.4 -20.5 24.3 -1.3 111 115 A I E -cD 70 100A 0 -11,-2.8 -11,-1.6 -2,-0.5 2,-0.8 -0.696 21.3-164.7-102.5 133.8 -22.0 20.8 -1.1 112 116 A V E +cD 71 99A 0 -42,-2.6 -40,-1.7 -2,-0.4 -13,-0.2 -0.712 33.8 176.8-105.0 78.5 -20.3 17.6 -0.0 113 117 A A E +cD 72 98A 0 -15,-2.0 -15,-3.0 -2,-0.8 2,-0.3 -0.528 9.3 148.0 -93.0 150.0 -23.0 15.2 -1.4 114 118 A A E - D 0 97A 0 -42,-1.3 -17,-0.2 -17,-0.2 -20,-0.1 -0.972 50.8-117.1-162.1 173.8 -23.1 11.5 -1.4 115 119 A N S S+ 0 0 47 -19,-0.6 2,-0.2 -22,-0.5 -40,-0.2 0.727 96.6 38.2 -91.3 -25.5 -25.4 8.4 -1.2 116 120 A S S > S- 0 0 28 -20,-0.4 4,-1.4 -23,-0.2 -44,-0.1 -0.686 81.4-116.9-120.9 167.6 -23.9 7.1 2.0 117 121 A D H > S+ 0 0 48 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.858 118.0 51.7 -69.2 -38.4 -22.6 8.5 5.2 118 122 A V H > S+ 0 0 26 2,-0.2 4,-2.6 -24,-0.2 5,-0.2 0.863 105.2 58.1 -65.1 -32.2 -19.1 7.1 4.5 119 123 A G H > S+ 0 0 0 -25,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.902 105.7 49.0 -58.5 -43.4 -19.3 8.8 1.0 120 124 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.889 110.5 51.1 -63.5 -40.0 -19.8 12.1 2.8 121 125 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.928 112.6 44.5 -62.5 -45.7 -16.8 11.4 5.1 122 126 A Y H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.916 114.4 50.4 -62.6 -41.3 -14.6 10.6 2.1 123 127 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.833 107.6 54.0 -62.4 -36.7 -16.0 13.7 0.3 124 128 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 107.3 49.8 -65.5 -45.1 -15.2 15.7 3.4 125 129 A F H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 111.7 48.9 -60.0 -39.5 -11.6 14.6 3.4 126 130 A H H X S+ 0 0 24 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.949 107.3 55.3 -65.4 -44.6 -11.3 15.5 -0.3 127 131 A L H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.942 111.3 44.9 -49.4 -50.8 -12.9 18.9 0.4 128 132 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 3,-0.3 0.909 109.2 55.4 -59.5 -44.3 -10.2 19.5 3.0 129 133 A R H X S+ 0 0 15 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.887 101.8 57.7 -57.0 -39.0 -7.4 18.3 0.7 130 134 A L H <>S+ 0 0 14 -4,-2.5 5,-3.7 2,-0.2 -1,-0.2 0.903 113.2 40.0 -56.6 -40.2 -8.5 20.8 -2.0 131 135 A I H ><5S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.3 -2,-0.2 0.911 111.7 56.4 -72.2 -49.1 -7.8 23.6 0.5 132 136 A Q H 3<5S+ 0 0 6 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.800 113.6 41.9 -49.9 -33.5 -4.7 21.9 1.9 133 137 A T T 3<5S- 0 0 5 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.272 116.0-114.8-105.5 13.7 -3.3 21.9 -1.6 134 138 A Q T < 5 + 0 0 45 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.913 57.7 157.2 60.4 42.6 -4.5 25.4 -2.4 135 139 A H < - 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0 0 42 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.290 39.5-112.9 -61.6 145.7 -7.2 17.3 31.5 1344 639 B A H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.815 109.7 53.3 -52.4 -38.5 -9.7 14.8 29.8 1345 640 B A H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.965 113.8 37.7 -67.3 -56.0 -7.0 12.7 28.1 1346 641 B R H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.874 115.3 56.5 -64.5 -36.6 -4.8 11.8 31.1 1347 642 B F H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.956 110.6 43.8 -56.0 -51.1 -7.9 11.5 33.3 1348 643 B A H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.852 113.1 51.9 -63.2 -37.0 -9.4 8.9 30.9 1349 644 B Q H X S+ 0 0 33 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.931 112.8 42.8 -68.6 -46.7 -6.1 7.1 30.6 1350 645 B V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.907 112.8 54.9 -67.8 -38.6 -5.5 6.8 34.4 1351 646 B K H X S+ 0 0 71 -4,-2.6 4,-1.4 -5,-0.3 -2,-0.2 0.943 111.9 43.7 -54.8 -50.4 -9.2 5.9 34.9 1352 647 B A H X S+ 0 0 6 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.903 111.8 51.6 -65.9 -43.4 -8.9 3.0 32.4 1353 648 B L H X S+ 0 0 5 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.892 106.9 54.8 -60.0 -41.2 -5.6 1.7 33.7 1354 649 B L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.838 104.7 54.3 -60.6 -34.9 -7.0 1.7 37.3 1355 650 B Q H X S+ 0 0 64 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.916 110.4 45.9 -63.7 -39.9 -9.8 -0.6 35.9 1356 651 B V H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.914 112.4 51.5 -67.7 -43.4 -7.2 -3.0 34.5 1357 652 B Q H X S+ 0 0 0 -4,-2.9 4,-2.7 -253,-0.4 -2,-0.2 0.891 108.7 50.5 -59.8 -42.7 -5.3 -2.8 37.8 1358 653 B E H X S+ 0 0 42 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.909 110.6 49.3 -62.2 -42.7 -8.5 -3.6 39.8 1359 654 B R H X S+ 0 0 96 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.924 115.4 43.8 -62.1 -45.5 -9.2 -6.7 37.5 1360 655 B E H X S+ 0 0 6 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.879 109.2 56.1 -67.5 -36.6 -5.6 -7.8 38.0 1361 656 B A H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.925 108.9 48.2 -63.5 -40.1 -5.6 -7.2 41.8 1362 657 B V H X S+ 0 0 27 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.922 111.0 50.1 -64.6 -44.1 -8.7 -9.4 42.0 1363 658 B R H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.913 113.4 46.6 -59.9 -44.5 -6.9 -12.1 40.0 1364 659 B W H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.962 114.4 47.5 -59.4 -51.4 -3.9 -11.8 42.2 1365 660 B R H X S+ 0 0 5 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.938 115.7 43.6 -55.4 -55.0 -6.0 -11.9 45.4 1366 661 B N H X S+ 0 0 7 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.914 114.0 49.8 -59.2 -45.2 -8.1 -14.9 44.3 1367 662 B S H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.885 117.4 40.1 -62.9 -43.1 -5.1 -16.9 43.0 1368 663 B C H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.928 116.6 47.0 -74.7 -49.3 -3.1 -16.4 46.1 1369 664 B V H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.925 116.3 46.4 -59.3 -45.4 -5.9 -16.9 48.7 1370 665 B L H X S+ 0 0 15 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.877 113.0 49.9 -67.3 -35.3 -7.1 -20.0 46.8 1371 666 B Y H X S+ 0 0 26 -4,-1.6 4,-1.0 -5,-0.3 -2,-0.2 0.960 113.9 42.8 -66.4 -53.0 -3.5 -21.4 46.6 1372 667 B F H X S+ 0 0 0 -4,-2.8 4,-3.6 1,-0.2 5,-0.3 0.850 112.2 56.0 -64.8 -29.9 -2.7 -20.9 50.3 1373 668 B Q H X S+ 0 0 51 -4,-2.3 4,-3.2 -5,-0.3 5,-0.4 0.905 103.8 54.2 -63.3 -42.6 -6.2 -22.3 51.1 1374 669 B S H < S+ 0 0 70 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.755 116.9 37.6 -64.6 -22.0 -5.4 -25.4 49.2 1375 670 B V H < S+ 0 0 35 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.904 122.9 40.1 -92.9 -50.1 -2.3 -25.9 51.2 1376 671 B A H < S- 0 0 4 -4,-3.6 -3,-0.2 -5,-0.1 -2,-0.2 0.801 91.4-142.7 -67.8 -36.5 -3.6 -24.7 54.6 1377 672 B G < + 0 0 52 -4,-3.2 -3,-0.1 -5,-0.3 -4,-0.1 0.864 53.6 132.5 72.4 38.8 -7.0 -26.4 54.3 1378 673 B R - 0 0 58 -5,-0.4 -1,-0.3 -6,-0.1 2,-0.1 -0.883 57.0-108.3-121.3 151.1 -8.8 -23.5 56.1 1379 674 B P - 0 0 100 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 -0.448 24.9-117.2 -79.6 153.3 -11.9 -21.7 55.0 1380 675 B I - 0 0 7 -2,-0.1 6,-0.1 1,-0.1 -65,-0.0 -0.795 50.3-100.9 -78.9 121.8 -12.1 -18.1 53.7 1381 676 B P > - 0 0 32 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.166 30.2-117.2 -49.9 138.5 -14.1 -16.3 56.4 1382 677 B A T 3 S+ 0 0 99 1,-0.3 4,-0.2 3,-0.0 -2,-0.0 0.622 106.3 68.7 -57.1 -24.0 -17.8 -15.8 55.3 1383 678 B N T 3 S+ 0 0 130 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.689 88.1 82.0 -68.5 -19.7 -17.8 -12.0 55.4 1384 679 B Y S < S- 0 0 33 -3,-1.9 2,-0.6 1,-0.1 -4,-0.0 -0.596 96.1-101.4 -85.2 148.3 -15.4 -12.0 52.3 1385 680 B E - 0 0 127 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.588 41.6-133.5 -69.0 115.7 -16.6 -12.4 48.8 1386 681 B Q - 0 0 94 -2,-0.6 2,-0.1 -4,-0.2 -1,-0.1 -0.526 20.3-112.0 -71.5 131.7 -15.8 -16.0 48.0 1387 682 B P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.431 20.2-147.5 -60.7 140.2 -14.1 -16.6 44.6 1388 683 B E S S+ 0 0 170 -2,-0.1 2,-0.1 2,-0.1 -2,-0.0 0.851 77.6 61.1 -80.8 -37.1 -16.5 -18.4 42.3 1389 684 B H S S- 0 0 71 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.471 83.6-120.5 -88.9 163.3 -13.9 -20.3 40.4 1390 685 B D > - 0 0 104 -2,-0.1 4,-1.1 1,-0.0 3,-0.3 -0.283 34.3 -90.6 -92.8 179.9 -11.4 -22.8 41.9 1391 686 B L H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.856 121.6 61.0 -61.4 -39.6 -7.6 -22.8 42.0 1392 687 B E H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 102.0 53.9 -58.3 -38.5 -7.3 -24.8 38.7 1393 688 B Y H > S+ 0 0 74 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.882 108.5 48.0 -61.1 -41.7 -9.1 -21.9 36.9 1394 689 B Y H X S+ 0 0 15 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.810 109.4 53.1 -72.5 -28.6 -6.5 -19.3 38.3 1395 690 B K H X S+ 0 0 65 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.894 109.9 49.4 -66.0 -39.4 -3.7 -21.6 37.2 1396 691 B M H X S+ 0 0 46 -4,-2.1 4,-1.5 2,-0.2 3,-0.2 0.897 109.1 51.1 -64.5 -44.9 -5.3 -21.6 33.8 1397 692 B L H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.879 107.1 55.0 -62.1 -35.6 -5.6 -17.8 33.8 1398 693 B A H < S+ 0 0 24 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.805 109.8 46.3 -65.0 -33.0 -1.9 -17.6 34.7 1399 694 B R H < S+ 0 0 103 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.774 125.8 29.1 -76.7 -25.8 -1.0 -19.7 31.7 1400 695 B T H < S+ 0 0 20 -4,-1.5 2,-0.5 -3,-0.1 -2,-0.2 0.499 84.0 109.0-117.3 -9.2 -3.3 -17.6 29.3 1401 696 B T S < S- 0 0 29 -4,-2.4 -166,-0.1 -5,-0.1 -4,-0.0 -0.656 78.4-106.2 -77.7 124.3 -3.5 -14.0 30.6 1402 697 B Y - 0 0 8 -2,-0.5 9,-0.1 1,-0.1 -1,-0.1 -0.196 24.1-141.7 -54.5 133.9 -1.6 -11.8 28.2 1403 698 B V - 0 0 13 7,-0.2 2,-1.8 2,-0.1 -1,-0.1 -0.899 14.1-143.3 -99.3 110.1 1.7 -10.5 29.7 1404 699 B P + 0 0 20 0, 0.0 -301,-0.3 0, 0.0 -1244,-0.1 -0.442 62.6 96.1 -86.1 72.4 2.1 -6.8 28.5 1405 700 B E - 0 0 0 -2,-1.8 6,-0.3 3,-0.2 -529,-0.1 -0.913 60.1-148.0-152.6 126.0 5.8 -6.5 27.8 1406 701 B P S S+ 0 0 20 0, 0.0 -1244,-0.1 0, 0.0 -1,-0.1 0.904 93.1 54.7 -56.0 -43.5 7.6 -6.8 24.5 1407 702 B W S S+ 0 0 65 -535,-0.4 -534,-0.1 -532,-0.4 -536,-0.0 0.909 86.5 77.0 -63.8 -56.7 10.8 -8.2 26.0 1408 703 B H S > S- 0 0 31 1,-0.1 3,-1.9 -176,-0.1 4,-0.2 -0.442 78.1-130.9 -67.3 134.0 9.8 -11.3 28.0 1409 704 B P G > S+ 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.715 99.5 77.1 -49.7 -31.1 9.1 -14.5 26.0 1410 705 B A G > S+ 0 0 24 1,-0.3 3,-1.6 2,-0.2 -7,-0.2 0.796 83.0 65.4 -50.6 -34.9 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 0.709 103.4 47.3 -63.3 -19.0 4.2 -12.2 25.8 1412 707 B S G < S+ 0 0 55 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.332 83.9 128.3 -97.0 0.7 4.6 -14.5 22.7 1413 708 B S < - 0 0 43 -3,-1.6 -10,-0.1 -4,-0.3 -3,-0.0 -0.425 41.2-168.3 -64.6 123.2 3.2 -17.5 24.5 1414 709 B R + 0 0 110 -2,-0.3 -1,-0.1 -1204,-0.0 2,-0.1 0.245 37.1 139.6 -97.5 13.9 0.4 -19.2 22.5 1415 710 B V + 0 0 69 -16,-0.2 -1168,-0.1 1,-0.1 -1169,-0.0 -0.391 22.5 173.9 -59.1 128.6 -0.7 -21.4 25.4 1416 711 B L 0 0 33 -1170,-0.3 -1,-0.1 -2,-0.1 -16,-0.1 0.380 360.0 360.0-121.5 2.8 -4.5 -21.4 25.3 1417 712 B K 0 0 141 -18,-0.1 -1169,-0.1 -20,-0.0 -1170,-0.0 -0.909 360.0 360.0-136.4 360.0 -5.5 -23.9 28.0