==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-12 4GVG . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR J.P.BACIK,B.L.MARK . 661 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 4.4 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 1 3 2 0 0 4 2 0 0 2 0 0 0 2 0 0 0 2 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 4 8 2 4 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 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 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 1 A M 0 0 40 0, 0.0 289,-1.7 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 139.0 37.9 30.2 53.1 2 2 A G - 0 0 0 24,-0.5 23,-0.2 287,-0.2 24,-0.1 -0.566 360.0-148.0 -85.2 145.6 37.5 33.7 54.6 3 3 A P + 0 0 0 0, 0.0 266,-3.1 0, 0.0 2,-0.5 0.486 68.2 95.0 -88.3 -2.9 34.2 34.8 56.3 4 4 A V E -ab 26 269A 0 21,-2.6 23,-2.7 264,-0.2 24,-2.0 -0.789 49.7-170.1 -99.1 126.9 34.4 38.5 55.4 5 5 A M E +ab 28 270A 0 264,-3.4 266,-2.9 -2,-0.5 24,-0.2 -0.962 24.9 160.6-107.5 118.7 32.6 39.9 52.3 6 6 A L E -a 29 0A 4 22,-2.2 24,-2.9 -2,-0.6 2,-0.3 -0.485 26.8-122.2-124.7-163.2 33.7 43.5 51.7 7 7 A N - 0 0 15 22,-0.2 2,-0.3 264,-0.2 24,-0.1 -0.846 9.1-129.7-138.1 169.7 33.7 46.1 49.0 8 8 A V - 0 0 2 22,-0.4 24,-0.1 -2,-0.3 265,-0.1 -0.816 21.3-126.5-122.0 166.3 36.1 48.4 47.1 9 9 A E S S+ 0 0 85 -2,-0.3 2,-0.1 3,-0.1 4,-0.1 0.819 72.6 6.5 -87.6 -33.2 35.7 52.1 46.5 10 10 A G S S- 0 0 23 2,-0.3 -2,-0.1 25,-0.1 3,-0.0 -0.407 87.3 -70.6-135.4-157.0 35.9 52.8 42.7 11 11 A C S S+ 0 0 43 -2,-0.1 2,-0.3 1,-0.1 26,-0.1 0.584 114.5 33.1 -87.1 -11.2 36.0 51.5 39.2 12 12 A E S S- 0 0 162 33,-0.0 -2,-0.3 36,-0.0 -3,-0.1 -0.986 91.1-103.8-140.4 150.4 39.6 50.2 39.6 13 13 A L - 0 0 15 -2,-0.3 2,-0.2 -4,-0.1 -2,-0.1 -0.369 30.4-148.4 -68.6 147.7 41.5 48.8 42.6 14 14 A D > - 0 0 54 -2,-0.1 4,-2.0 1,-0.0 3,-0.1 -0.634 32.1 -97.2-106.1 176.2 44.0 50.9 44.5 15 15 A A H > S+ 0 0 62 1,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.896 122.2 52.5 -59.0 -44.7 47.1 49.7 46.3 16 16 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 109.4 50.1 -59.1 -41.0 45.5 49.6 49.7 17 17 A E H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 104.6 57.0 -69.9 -35.3 42.6 47.4 48.4 18 18 A R H X S+ 0 0 96 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.890 107.7 48.6 -61.4 -38.0 45.0 45.0 46.7 19 19 A E H >< S+ 0 0 151 -4,-1.7 3,-0.8 1,-0.2 4,-0.2 0.922 110.4 51.6 -65.1 -44.5 46.6 44.4 50.2 20 20 A I H >< S+ 0 0 23 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.905 104.6 56.1 -58.5 -42.5 43.2 43.9 51.7 21 21 A L H 3< S+ 0 0 1 -4,-2.4 33,-2.2 1,-0.3 34,-0.5 0.695 99.3 60.9 -68.3 -18.4 42.2 41.3 49.1 22 22 A A T << S+ 0 0 46 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.500 79.6 115.2 -82.6 -3.5 45.3 39.2 50.0 23 23 A H X - 0 0 49 -3,-1.9 3,-1.7 -4,-0.2 32,-0.3 -0.475 69.2-135.6 -72.1 134.6 44.0 38.8 53.5 24 24 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.725 102.2 58.8 -63.0 -22.2 43.1 35.2 54.5 25 25 A L T 3 S+ 0 0 14 -23,-0.2 -21,-2.6 -22,-0.1 2,-0.6 0.530 82.4 98.0 -84.9 -6.7 39.8 36.3 56.2 26 26 A V E < +a 4 0A 0 -3,-1.7 -24,-0.5 -6,-0.2 29,-0.4 -0.744 35.1 151.8 -84.2 120.1 38.5 37.9 53.0 27 27 A G E + 0 0 0 -23,-2.7 31,-2.4 -2,-0.6 2,-0.3 0.465 57.6 36.2-122.6 -10.7 36.1 35.5 51.2 28 28 A G E -ac 5 58A 0 -24,-2.0 -22,-2.2 29,-0.3 2,-0.4 -0.980 50.3-159.7-147.0 156.6 33.8 37.8 49.3 29 29 A L E -ac 6 59A 0 29,-2.4 31,-3.0 -2,-0.3 2,-0.4 -0.969 11.3-158.5-139.0 122.2 33.4 41.0 47.4 30 30 A I E - c 0 60A 4 -24,-2.9 -22,-0.4 -2,-0.4 2,-0.3 -0.864 14.0-146.8-101.3 134.2 30.2 42.8 46.9 31 31 A L E - c 0 61A 0 29,-2.7 31,-0.6 -2,-0.4 2,-0.2 -0.751 15.3-174.8-102.0 147.5 29.9 45.2 44.0 32 32 A F > - 0 0 22 -2,-0.3 3,-2.0 -24,-0.1 -24,-0.0 -0.775 44.7 -93.8-132.1 173.6 27.9 48.5 43.8 33 33 A T G > S+ 0 0 68 1,-0.3 3,-2.0 -2,-0.2 39,-0.1 0.786 120.1 68.2 -62.3 -25.9 27.1 51.1 41.2 34 34 A R G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -26,-0.1 -3,-0.0 0.669 99.8 52.1 -66.3 -13.5 30.1 53.2 42.4 35 35 A N G < S+ 0 0 0 -3,-2.0 2,-0.4 -24,-0.1 -1,-0.3 0.265 99.3 87.7-100.4 7.4 32.2 50.3 41.0 36 36 A Y < + 0 0 26 -3,-2.0 -25,-0.1 1,-0.1 -3,-0.0 -0.934 23.9 137.6-124.0 131.3 30.6 50.5 37.5 37 37 A H S S- 0 0 128 1,-0.5 -1,-0.1 -2,-0.4 36,-0.0 0.571 77.1 -22.3-123.8 -48.3 31.1 52.4 34.3 38 38 A D > - 0 0 48 1,-0.1 4,-2.6 36,-0.0 -1,-0.5 -0.971 66.7 -94.0-159.1 166.5 30.7 49.9 31.4 39 39 A P H > S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.823 121.1 51.4 -60.6 -32.4 30.9 46.2 30.7 40 40 A E H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.945 114.0 43.7 -67.8 -46.8 34.5 46.3 29.6 41 41 A Q H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 113.9 51.6 -63.3 -40.5 35.6 48.1 32.7 42 42 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.948 109.1 48.1 -65.0 -49.0 33.5 45.9 35.0 43 43 A R H X S+ 0 0 62 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.879 112.8 50.5 -58.7 -37.7 34.9 42.6 33.6 44 44 A E H X S+ 0 0 75 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.876 107.1 53.2 -69.8 -37.6 38.4 44.0 34.0 45 45 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 109.6 48.3 -62.3 -43.1 37.7 45.0 37.6 46 46 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.944 110.4 52.3 -63.0 -42.2 36.5 41.5 38.4 47 47 A R H X S+ 0 0 113 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.913 110.9 47.2 -56.6 -42.4 39.7 40.2 36.7 48 48 A Q H X S+ 0 0 62 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.871 109.3 54.0 -70.7 -37.5 41.8 42.5 38.9 49 49 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.933 111.2 45.1 -58.4 -47.8 39.9 41.4 42.0 50 50 A R H < S+ 0 0 48 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.866 111.6 52.5 -69.7 -34.8 40.6 37.8 41.3 51 51 A A H < S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.883 115.0 42.4 -64.7 -37.7 44.3 38.5 40.4 52 52 A A H < S+ 0 0 23 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.801 95.4 99.5 -77.1 -29.5 44.7 40.3 43.8 53 53 A S < - 0 0 22 -4,-1.9 -31,-0.3 -5,-0.2 -32,-0.1 -0.280 54.5-159.4 -74.2 139.8 42.8 37.9 46.0 54 54 A R S S+ 0 0 172 -33,-2.2 -32,-0.1 -31,-0.2 -1,-0.1 0.951 83.1 45.3 -71.2 -55.5 44.4 35.2 48.1 55 55 A N S S- 0 0 31 -34,-0.5 2,-1.0 -29,-0.4 -32,-0.0 -0.416 100.0-100.2 -81.8 162.5 41.2 33.2 48.4 56 56 A H - 0 0 100 -2,-0.1 2,-0.2 241,-0.0 -1,-0.1 -0.782 56.0-146.5 -77.2 104.8 38.8 32.2 45.5 57 57 A L - 0 0 0 -2,-1.0 2,-0.7 -29,-0.1 -29,-0.3 -0.466 13.5-127.7 -82.4 147.8 36.3 35.0 46.3 58 58 A V E -c 28 0A 0 -31,-2.4 -29,-2.4 -2,-0.2 2,-0.5 -0.877 29.1-154.1 -86.5 115.5 32.6 34.9 45.9 59 59 A V E -c 29 0A 0 -2,-0.7 56,-2.0 -31,-0.2 55,-1.5 -0.844 19.8-178.6 -97.4 129.5 31.8 38.0 44.0 60 60 A A E +cd 30 115A 0 -31,-3.0 -29,-2.7 -2,-0.5 2,-0.3 -0.788 15.9 178.2-131.0 163.0 28.4 39.4 44.5 61 61 A V E -cd 31 116A 0 54,-1.2 56,-2.4 -2,-0.3 2,-1.1 -0.978 36.4-115.3-159.1 153.3 26.0 42.1 43.5 62 62 A D + 0 0 19 -31,-0.6 8,-1.1 -2,-0.3 2,-0.7 -0.731 49.4 154.0 -91.2 85.5 22.4 43.3 44.1 63 63 A Q E +F 69 0B 0 -2,-1.1 6,-0.2 6,-0.2 45,-0.1 -0.766 14.8 132.2-114.9 83.6 21.0 42.9 40.6 64 64 A E E - 0 0 18 4,-1.8 5,-0.2 -2,-0.7 2,-0.2 0.841 60.3-109.2 -97.2 -45.7 17.3 42.4 41.1 65 65 A G E > S+F 68 0B 2 3,-2.7 3,-1.7 -3,-0.2 16,-0.2 -0.510 78.1 33.8 121.6 159.8 15.4 44.6 38.7 66 66 A G T 3 S+ 0 0 1 12,-3.0 -1,-0.2 1,-0.3 12,-0.1 -0.355 128.5 2.8 61.2-127.6 13.4 47.8 39.0 67 67 A R T 3 S+ 0 0 116 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.655 130.9 58.6 -68.8 -16.8 14.7 50.0 41.8 68 68 A V E < +F 65 0B 15 -3,-1.7 -3,-2.7 2,-0.0 -4,-1.8 -0.850 63.3 121.3-120.0 95.6 17.6 47.7 42.6 69 69 A Q E -F 63 0B 1 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.812 36.5-167.1-151.5 107.5 19.9 47.1 39.7 70 70 A R S S+ 0 0 66 -8,-1.1 2,-0.6 -2,-0.3 -34,-0.1 0.849 79.9 46.3 -67.1 -35.4 23.6 48.1 40.2 71 71 A F + 0 0 0 1,-0.1 -1,-0.2 5,-0.1 3,-0.1 -0.927 62.2 147.7-116.3 111.5 24.6 47.9 36.5 72 72 A R > + 0 0 93 -2,-0.6 3,-2.5 1,-0.1 -1,-0.1 0.843 50.2 68.6-107.1 -69.2 22.2 49.5 34.0 73 73 A E T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -36,-0.0 3,-0.1 -0.346 112.7 19.7 -57.2 126.7 23.9 50.9 30.9 74 74 A G T 3 S+ 0 0 39 1,-0.3 2,-0.3 -36,-0.1 -1,-0.3 0.377 116.0 81.1 93.3 -5.3 25.2 48.0 28.9 75 75 A F S < S- 0 0 21 -3,-2.5 -1,-0.3 242,-0.0 2,-0.2 -0.825 91.9 -86.2-125.5 166.9 22.9 45.5 30.5 76 76 A T - 0 0 2 -2,-0.3 2,-0.8 27,-0.1 -5,-0.1 -0.549 43.5-121.0 -69.2 134.5 19.3 44.5 30.1 77 77 A R - 0 0 40 -2,-0.2 247,-0.3 240,-0.2 248,-0.1 -0.716 31.6-147.1 -77.4 112.7 17.0 46.6 32.2 78 78 A L - 0 0 3 -2,-0.8 -12,-3.0 -12,-0.1 3,-0.1 -0.648 12.0-121.3 -86.7 137.2 15.3 44.2 34.5 79 79 A P - 0 0 2 0, 0.0 245,-0.1 0, 0.0 -1,-0.1 -0.336 34.5 -89.6 -74.8 155.3 11.7 44.8 35.5 80 80 A A >> - 0 0 2 -15,-0.2 3,-1.3 244,-0.1 4,-0.6 -0.332 35.3-117.5 -57.3 142.6 10.6 45.2 39.1 81 81 A A H >> S+ 0 0 10 1,-0.3 3,-0.9 -16,-0.2 4,-0.5 0.864 113.2 57.9 -47.0 -45.0 9.6 41.9 40.8 82 82 A Q H 3> S+ 0 0 49 50,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.804 94.6 67.5 -60.2 -29.7 6.0 43.2 41.3 83 83 A S H <> S+ 0 0 0 -3,-1.3 4,-2.5 49,-0.3 5,-0.5 0.802 85.1 68.7 -66.1 -31.7 5.5 43.8 37.6 84 84 A F H S- 0 0 59 -4,-1.7 5,-1.0 -5,-0.5 4,-0.8 0.435 91.4-143.1-128.4 -1.6 1.1 39.3 32.9 89 89 A G H X5 - 0 0 23 -4,-2.1 4,-0.7 -5,-0.2 5,-0.5 -0.099 47.7 -39.9 70.6-166.3 -0.5 37.1 35.6 90 90 A L H >5S+ 0 0 105 3,-0.2 4,-1.6 2,-0.1 -1,-0.2 0.934 131.3 36.3 -66.2 -49.9 0.4 33.6 36.7 91 91 A E H >5S+ 0 0 169 2,-0.2 4,-1.8 3,-0.2 -2,-0.1 0.974 129.0 26.9 -75.4 -58.0 1.3 31.9 33.4 92 92 A E H X5S+ 0 0 69 -4,-0.8 4,-2.6 2,-0.2 -3,-0.2 0.873 122.8 54.4 -75.2 -34.6 3.0 34.5 31.3 93 93 A G H X<>S+ 0 0 0 -4,-1.9 5,-2.2 -5,-0.2 3,-1.4 0.898 109.7 52.9 -73.8 -42.9 26.3 38.5 35.7 109 109 A I H ><5S+ 0 0 5 -4,-2.7 3,-2.1 1,-0.3 193,-0.2 0.849 100.2 63.0 -61.7 -32.7 28.2 35.3 35.0 110 110 A A T 3<5S+ 0 0 7 -4,-2.0 194,-0.4 1,-0.3 -1,-0.3 0.724 103.6 49.3 -62.4 -21.0 29.4 36.8 31.7 111 111 A M T < 5S- 0 0 6 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.313 122.7-110.8 -94.9 4.8 31.2 39.4 34.0 112 112 A D T < 5 + 0 0 34 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.709 69.5 148.6 65.4 25.8 32.6 36.5 36.1 113 113 A I < - 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -53,-0.2 -0.713 38.7-152.6 -88.0 139.0 30.4 37.5 39.0 114 114 A D + 0 0 1 -55,-1.5 45,-0.4 -2,-0.3 2,-0.3 0.926 64.1 8.3 -79.2 -48.0 29.2 34.6 41.2 115 115 A I E -d 60 0A 0 -56,-2.0 -54,-1.2 43,-0.1 2,-0.4 -0.987 45.6-152.2-142.1 144.6 25.9 35.7 42.6 116 116 A S E -d 61 0A 0 43,-0.4 2,-1.8 -2,-0.3 45,-0.3 -0.960 41.3-115.2-105.7 135.7 23.2 38.3 42.5 117 117 A F + 0 0 1 -56,-2.4 43,-0.1 -2,-0.4 3,-0.0 -0.528 63.6 172.0 -74.8 87.5 21.5 38.6 45.9 118 118 A A + 0 0 2 -2,-1.8 43,-2.5 1,-0.1 -2,-0.2 -0.969 24.2 44.0-160.0 154.6 18.1 37.4 44.7 119 119 A P - 0 0 0 0, 0.0 44,-1.6 0, 0.0 2,-0.5 0.393 56.2-142.9 -92.9 158.0 15.2 36.6 44.8 120 120 A V B -g 163 0C 4 13,-0.3 15,-0.4 42,-0.2 44,-0.2 -0.696 16.7-176.8 -72.8 125.2 13.4 38.8 47.3 121 121 A L + 0 0 2 42,-4.0 43,-0.2 -2,-0.5 73,-0.2 0.301 38.9 126.1-109.7 3.9 10.9 36.6 49.1 122 122 A D - 0 0 1 41,-0.8 2,-0.5 11,-0.1 13,-0.4 -0.345 55.2-134.8 -61.4 146.6 9.4 39.4 51.1 123 123 A V + 0 0 1 11,-0.1 14,-0.2 12,-0.1 68,-0.1 -0.906 58.1 15.1-115.1 128.1 5.6 39.6 50.8 124 124 A G - 0 0 9 12,-1.7 10,-0.1 -2,-0.5 12,-0.1 -0.120 66.2-112.8 97.9 165.3 3.6 42.8 50.2 125 125 A H S S+ 0 0 55 1,-0.1 -1,-0.1 5,-0.1 7,-0.1 0.308 83.6 95.6-122.5 6.2 4.5 46.3 49.1 126 126 A I + 0 0 126 43,-0.3 2,-0.5 5,-0.1 44,-0.1 0.674 62.1 92.9 -77.0 -18.6 3.8 48.5 52.1 127 127 A S S >> S- 0 0 3 42,-0.8 4,-1.8 1,-0.2 3,-1.0 -0.676 70.7-145.6 -78.9 124.6 7.4 48.5 53.3 128 128 A A T 34 S+ 0 0 87 -2,-0.5 -1,-0.2 43,-0.3 44,-0.1 0.848 100.4 52.5 -56.1 -37.3 9.3 51.5 51.9 129 129 A A T 34 S+ 0 0 42 42,-0.3 -1,-0.3 39,-0.1 40,-0.1 0.764 123.5 26.9 -69.6 -26.5 12.5 49.4 51.7 130 130 A I T X4 S+ 0 0 1 -3,-1.0 3,-2.3 41,-0.2 -2,-0.2 0.876 77.1 130.5-103.9 -68.1 10.7 46.7 49.8 131 131 A G G >< S+ 0 0 10 -4,-1.8 3,-1.5 1,-0.3 -4,-0.1 -0.232 87.2 8.9 52.1-122.8 7.8 48.0 47.8 132 132 A E G 3 S+ 0 0 20 1,-0.3 -50,-2.4 -7,-0.1 -49,-0.3 0.443 112.8 83.4 -70.0 -1.4 7.9 46.8 44.2 133 133 A R G < S+ 0 0 34 -3,-2.3 2,-0.3 -52,-0.2 -13,-0.3 0.625 77.1 83.0 -77.2 -12.9 10.8 44.4 45.0 134 134 A S S < S- 0 0 0 -3,-1.5 -11,-0.1 -10,-0.1 -13,-0.1 -0.719 77.2-140.5 -89.3 143.2 8.3 41.9 46.2 135 135 A Y S S- 0 0 11 -13,-0.4 -50,-0.4 -15,-0.4 2,-0.3 0.750 75.6 -14.7 -75.2 -25.6 6.6 39.6 43.6 136 136 A H - 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0 0 7 -5,-2.1 -1,-0.3 1,-0.1 -22,-0.2 -0.486 35.2-159.8 -68.7 144.6 24.8 34.6 81.4 599 274 B D S S+ 0 0 21 -24,-3.0 2,-0.4 1,-0.3 -23,-0.2 0.784 79.0 23.5 -88.2 -37.2 22.3 33.1 83.9 600 275 B M E S- o 0 576E 0 -25,-1.8 -23,-2.1 -7,-0.1 2,-0.4 -0.994 72.7-144.0-135.9 134.9 21.1 36.4 85.3 601 276 B I E -l 338 0E 0 -264,-2.9 -262,-2.8 -2,-0.4 2,-0.5 -0.862 13.8-139.5-106.9 137.6 21.2 39.9 83.8 602 277 B L E +lo 339 579E 8 -24,-0.7 -22,-3.2 -2,-0.4 2,-0.4 -0.795 19.1 178.2 -97.0 129.1 21.8 43.0 85.9 603 278 B V + 0 0 0 -264,-2.5 2,-0.3 -2,-0.5 -262,-0.3 -0.976 10.8 177.4-127.4 115.4 19.9 46.2 85.3 604 279 B C + 0 0 5 -2,-0.4 -264,-0.0 -264,-0.1 -2,-0.0 -0.856 56.8 3.1-113.2 148.6 20.8 49.0 87.7 605 280 B N S S+ 0 0 92 -2,-0.3 2,-0.2 -263,-0.1 -1,-0.1 0.610 100.8 88.7 62.9 21.1 19.6 52.6 87.8 606 281 B N > - 0 0 60 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.634 43.4-178.9-152.3 90.9 17.0 52.7 85.0 607 282 B R H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 87.8 49.6 -57.1 -47.2 13.4 51.7 85.8 608 283 B K H > S+ 0 0 184 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 111.1 50.2 -60.4 -40.9 12.2 52.2 82.2 609 284 B G H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.920 111.5 48.1 -62.0 -45.5 15.0 50.0 80.9 610 285 B A H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.924 111.2 49.5 -61.6 -45.5 14.3 47.3 83.4 611 286 B V H X S+ 0 0 44 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.894 106.1 57.8 -63.2 -36.9 10.6 47.3 82.6 612 287 B S H X S+ 0 0 34 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.864 106.9 48.2 -60.4 -36.5 11.4 47.1 78.9 613 288 B V H X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.3 3,-0.4 0.925 111.0 50.1 -68.4 -44.4 13.3 43.9 79.6 614 289 B L H < S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 114.5 45.2 -60.1 -37.4 10.4 42.5 81.6 615 290 B D H < S+ 0 0 110 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.710 122.3 33.0 -79.6 -21.4 8.0 43.3 78.8 616 291 B N H < S+ 0 0 26 -4,-1.1 2,-0.3 -3,-0.4 -2,-0.2 0.528 88.7 98.0-121.8 -9.2 10.1 42.0 75.8 617 292 B L S < S- 0 0 11 -4,-1.9 3,-0.1 -5,-0.1 -399,-0.1 -0.614 74.1-118.9 -80.3 140.0 12.1 39.0 77.0 618 293 B S - 0 0 43 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.436 50.2 -74.5 -71.8 154.2 10.7 35.6 76.1 619 294 B P + 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.280 67.0 165.9 -49.9 130.2 9.9 33.4 79.1 620 295 B I - 0 0 47 -3,-0.1 2,-0.2 -285,-0.0 -3,-0.0 -0.979 26.2-141.7-151.4 135.7 13.2 32.1 80.5 621 296 B K - 0 0 137 -2,-0.3 -285,-0.2 -285,-0.1 3,-0.1 -0.641 5.3-162.9 -95.6 158.4 14.1 30.4 83.7 622 297 B A > + 0 0 3 -287,-1.9 3,-1.5 -2,-0.2 4,-0.4 -0.486 24.8 159.3-134.2 63.1 17.3 31.0 85.7 623 298 B E G > + 0 0 92 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.768 65.6 68.5 -64.6 -27.8 17.2 27.9 88.0 624 299 B R G > S+ 0 0 65 1,-0.2 3,-1.8 2,-0.2 -1,-0.3 0.841 90.3 66.5 -55.1 -33.4 21.0 28.1 88.7 625 300 B V G X S+ 0 0 0 -3,-1.5 3,-2.1 1,-0.3 -1,-0.2 0.790 82.6 72.8 -63.9 -27.1 20.2 31.3 90.7 626 301 B T G X S+ 0 0 54 -3,-1.3 3,-0.6 -4,-0.4 -1,-0.3 0.604 84.8 69.8 -64.4 -8.5 18.2 29.3 93.3 627 302 B R G < S+ 0 0 123 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.595 85.8 70.3 -79.9 -9.8 21.5 27.9 94.6 628 303 B L G < + 0 0 2 -3,-2.1 -135,-0.4 -4,-0.1 -1,-0.2 0.461 63.0 123.4 -95.2 -1.0 22.5 31.3 96.0 629 304 B Y < - 0 0 47 -3,-0.6 -237,-0.1 -4,-0.1 -182,-0.1 -0.295 63.5-113.4 -60.4 143.9 20.1 31.8 98.9 630 305 B H - 0 0 27 -184,-0.1 2,-0.2 -138,-0.1 -138,-0.2 -0.346 21.6-130.8 -72.9 156.3 21.8 32.4 102.3 631 306 B K + 0 0 133 -140,-2.2 -1,-0.1 -183,-0.1 -188,-0.0 -0.673 67.1 38.9 -94.4 161.4 21.7 30.0 105.2 632 307 B G - 0 0 49 -2,-0.2 -2,-0.0 1,-0.1 -142,-0.0 0.045 58.0-140.0 86.0 165.1 20.8 31.1 108.7 633 308 B S + 0 0 109 2,-0.1 -1,-0.1 -187,-0.0 2,-0.1 0.114 42.9 139.7-156.4 31.4 18.2 33.6 110.0 634 309 B F - 0 0 58 1,-0.1 -188,-0.2 2,-0.0 2,-0.1 -0.295 45.7-115.8 -81.8 162.4 19.5 35.7 112.9 635 310 B S > - 0 0 48 1,-0.1 4,-2.1 -190,-0.1 5,-0.2 -0.469 27.3-107.4 -90.1 168.2 19.1 39.4 113.6 636 311 B R H > S+ 0 0 76 -192,-0.5 4,-2.6 1,-0.2 5,-0.2 0.911 121.5 52.7 -57.2 -45.0 21.7 42.1 113.7 637 312 B R H > S+ 0 0 128 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.914 107.7 49.9 -60.0 -46.2 21.4 42.2 117.5 638 313 B E H > S+ 0 0 119 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.902 112.4 48.7 -58.7 -43.9 21.9 38.4 117.8 639 314 B L H >< S+ 0 0 10 -4,-2.1 3,-1.6 1,-0.2 6,-0.4 0.953 109.6 50.7 -60.3 -49.8 25.0 38.7 115.7 640 315 B M H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.668 106.1 56.3 -69.3 -15.5 26.5 41.6 117.6 641 316 B D H 3< S+ 0 0 89 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.618 86.4 104.4 -85.7 -13.8 26.0 39.8 120.9 642 317 B S S S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.873 106.0 53.0 -63.7 -39.7 31.6 36.6 120.9 644 319 B R H > S+ 0 0 73 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.889 106.4 52.2 -66.9 -39.5 33.1 36.1 117.5 645 320 B W H > S+ 0 0 34 -6,-0.4 4,-3.1 2,-0.2 5,-0.3 0.934 109.3 49.9 -61.4 -44.6 31.5 39.3 116.1 646 321 B K H X S+ 0 0 118 -4,-1.8 4,-1.4 -7,-0.2 -2,-0.2 0.924 115.8 42.7 -60.8 -44.7 32.9 41.4 119.0 647 322 B T H X S+ 0 0 85 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.937 118.9 43.7 -63.8 -49.3 36.4 40.0 118.5 648 323 B A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.934 110.8 52.1 -68.0 -47.3 36.3 40.3 114.7 649 324 B S H X S+ 0 0 8 -4,-3.1 4,-2.8 -5,-0.3 5,-0.2 0.907 109.6 49.8 -58.8 -43.5 34.7 43.7 114.4 650 325 B A H X S+ 0 0 61 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.928 113.3 45.6 -60.8 -46.7 37.2 45.3 116.7 651 326 B Q H X S+ 0 0 53 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.869 115.8 46.6 -63.9 -38.6 40.2 43.9 114.8 652 327 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.900 108.4 53.3 -74.9 -41.5 38.8 44.8 111.4 653 328 B N H X S+ 0 0 34 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.898 111.5 48.8 -58.0 -40.6 37.8 48.3 112.3 654 329 B Q H X S+ 0 0 130 -4,-1.7 4,-2.9 -5,-0.2 -1,-0.2 0.888 109.7 49.8 -66.3 -41.4 41.4 48.8 113.5 655 330 B L H X S+ 0 0 4 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.913 110.0 51.8 -65.6 -41.0 42.9 47.4 110.3 656 331 B H H X S+ 0 0 21 -4,-2.7 4,-1.7 -245,-0.3 -2,-0.2 0.930 112.1 47.0 -56.3 -46.8 40.6 49.6 108.2 657 332 B E H X S+ 0 0 86 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.932 111.4 50.0 -61.1 -49.5 41.9 52.6 110.3 658 333 B R H X S+ 0 0 112 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.838 108.6 52.1 -60.4 -37.2 45.5 51.6 110.0 659 334 B W H X S+ 0 0 23 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.879 106.7 54.0 -67.9 -38.1 45.3 51.2 106.2 660 335 B Q H X S+ 0 0 87 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.921 110.8 46.2 -59.3 -45.5 43.8 54.7 105.9 661 336 B E H X>S+ 0 0 109 -4,-2.0 5,-2.3 2,-0.2 4,-0.8 0.911 109.9 53.8 -64.1 -43.6 46.8 56.0 107.8 662 337 B E H ><5S+ 0 0 84 -4,-2.3 3,-0.9 4,-0.2 -2,-0.2 0.920 110.1 46.7 -57.3 -46.8 49.2 54.0 105.7 663 338 B K H 3<5S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 104.7 60.9 -63.6 -36.7 47.8 55.4 102.5 664 339 B A H 3<5S- 0 0 58 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.698 122.0-106.9 -64.4 -18.9 47.9 59.0 103.9 665 340 B G T <<5 0 0 67 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.454 360.0 360.0 103.1 6.7 51.6 58.6 104.2 666 341 B H < 0 0 169 -5,-2.3 -4,-0.2 -6,-0.2 -3,-0.1 0.087 360.0 360.0-104.9 360.0 51.6 58.3 108.0