==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-06 2CHO . COMPND 2 MOLECULE: GLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR R.J.DENNIS,E.J.TAYLOR,M.S.MACAULEY,K.A.STUBBS, . 1306 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 873 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 62 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 434 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 0 0 0 0 2 2 2 2 4 4 4 0 4 0 0 2 0 0 0 2 2 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 0 4 0 12 2 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 . 4 4 4 3 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 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 L 0 0 68 0, 0.0 94,-0.1 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 131.5 33.5 21.3 -0.0 2 6 A Q + 0 0 10 1,-0.2 376,-0.1 2,-0.1 96,-0.1 -0.994 360.0 23.2-132.6 125.9 31.0 18.5 -0.2 3 7 A P S S- 0 0 0 0, 0.0 -1,-0.2 0, 0.0 375,-0.1 0.671 106.1-125.3 -60.1 154.0 30.0 17.6 -2.9 4 8 A P - 0 0 30 0, 0.0 381,-0.1 0, 0.0 -2,-0.1 -0.520 29.3-109.8 -70.7 137.4 33.1 19.1 -4.5 5 9 A P - 0 0 10 0, 0.0 3,-0.2 0, 0.0 107,-0.2 -0.251 15.5-120.0 -66.7 157.9 32.3 21.5 -7.3 6 10 A Q S S+ 0 0 30 1,-0.2 2,-0.4 107,-0.1 106,-0.2 0.896 100.9 14.9 -62.2 -42.6 32.9 20.8 -10.9 7 11 A Q E +A 111 0A 87 104,-1.7 104,-1.8 2,-0.0 2,-0.4 -0.998 69.2 174.3-141.0 134.4 35.2 23.8 -11.2 8 12 A L E -A 110 0A 80 -2,-0.4 2,-0.5 102,-0.2 102,-0.2 -0.995 9.4-173.6-141.5 123.9 36.9 25.8 -8.4 9 13 A I E -A 109 0A 70 100,-2.5 100,-2.1 -2,-0.4 2,-0.4 -0.990 13.4-165.2-119.2 119.1 39.5 28.6 -8.6 10 14 A V E -A 108 0A 70 -2,-0.5 98,-0.2 98,-0.2 -2,-0.0 -0.840 13.6-160.0-105.3 143.8 40.8 29.7 -5.2 11 15 A Q E - 0 0 81 96,-2.9 97,-0.1 -2,-0.4 3,-0.1 0.337 32.8-125.1-105.7 3.1 42.8 33.0 -4.7 12 16 A N E S+ 0 0 163 95,-0.3 2,-0.3 1,-0.2 96,-0.1 0.750 79.0 108.6 54.8 22.7 44.6 32.3 -1.4 13 17 A K E - 0 0 98 94,-0.3 94,-2.6 2,-0.0 2,-0.3 -0.904 54.9-154.3-117.9 153.1 43.1 35.5 -0.0 14 18 A T E -A 106 0A 82 -2,-0.3 2,-0.3 92,-0.2 90,-0.0 -0.874 7.5-169.5-120.2 160.7 40.3 35.7 2.6 15 19 A I E -A 105 0A 16 90,-2.7 90,-2.4 -2,-0.3 2,-0.4 -0.852 26.7-105.1-133.6 174.8 37.8 38.4 3.3 16 20 A D E -A 104 0A 111 -2,-0.3 88,-0.3 88,-0.2 87,-0.1 -0.840 38.9-101.6-100.7 141.1 35.3 39.0 6.1 17 21 A L - 0 0 33 86,-3.0 2,-0.4 -2,-0.4 3,-0.0 -0.443 58.2 -97.8 -50.0 125.3 31.6 38.4 5.7 18 22 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.394 30.8-164.2 -64.8 116.7 30.4 42.0 5.2 19 23 A A S S+ 0 0 103 -2,-0.4 2,-0.4 1,-0.2 -2,-0.1 0.801 92.5 34.8 -63.1 -31.9 29.1 43.5 8.4 20 24 A V S S+ 0 0 108 2,-0.0 24,-1.4 -3,-0.0 2,-0.3 -0.998 86.0 161.6-123.7 129.3 27.5 46.0 6.1 21 25 A Y E -b 44 0A 86 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.977 37.0-132.5-146.4 151.4 26.3 44.7 2.8 22 26 A Q E -b 45 0A 116 22,-3.3 24,-3.2 -2,-0.3 2,-0.6 -0.957 23.2-150.4-108.8 127.2 24.0 45.6 -0.1 23 27 A L E -b 46 0A 49 -2,-0.5 2,-0.5 22,-0.2 24,-0.2 -0.888 11.6-171.3-104.7 120.7 21.7 42.7 -1.2 24 28 A N E +b 47 0A 59 22,-3.3 24,-3.0 -2,-0.6 -2,-0.0 -0.964 69.6 16.6-115.8 115.4 20.7 42.7 -4.8 25 29 A G S >> S+ 0 0 13 -2,-0.5 4,-1.9 22,-0.2 3,-0.7 0.396 75.2 131.2 107.3 3.7 18.0 40.2 -6.0 26 30 A G T 34 S+ 0 0 17 1,-0.2 8,-0.1 2,-0.2 -2,-0.1 0.810 75.2 46.5 -56.8 -36.5 16.5 39.3 -2.6 27 31 A E T 34 S+ 0 0 182 1,-0.2 -1,-0.2 7,-0.0 -3,-0.0 0.747 120.5 37.0 -79.7 -24.1 12.9 39.8 -3.7 28 32 A E T <4 S+ 0 0 123 -3,-0.7 22,-0.2 20,-0.2 -2,-0.2 0.510 98.2 89.9-106.8 -13.4 13.2 37.9 -7.0 29 33 A A S < S- 0 0 5 -4,-1.9 5,-0.1 1,-0.2 57,-0.1 -0.415 98.9 -66.9 -79.3 161.1 15.6 35.0 -6.1 30 34 A N >> - 0 0 2 1,-0.2 4,-2.4 -2,-0.1 3,-0.7 -0.276 44.6-141.7 -43.9 117.0 14.5 31.6 -4.8 31 35 A P H 3> S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.803 100.5 58.3 -59.1 -28.4 13.0 32.4 -1.3 32 36 A H H 3> S+ 0 0 64 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.885 109.2 43.9 -68.5 -36.1 14.5 29.2 0.0 33 37 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.897 112.3 52.9 -71.2 -42.0 18.0 30.4 -0.9 34 38 A V H X S+ 0 0 10 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.896 105.5 53.7 -65.2 -39.4 17.3 33.9 0.4 35 39 A K H X S+ 0 0 146 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.909 109.5 48.5 -59.3 -44.0 16.2 32.6 3.8 36 40 A V H X S+ 0 0 31 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.946 112.8 48.5 -57.3 -50.7 19.6 30.7 4.0 37 41 A L H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.924 110.8 49.5 -57.7 -48.0 21.5 33.8 3.1 38 42 A K H < S+ 0 0 118 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.866 109.5 52.6 -64.0 -36.9 19.7 36.0 5.6 39 43 A E H < S+ 0 0 165 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.898 108.0 52.5 -57.7 -45.0 20.3 33.5 8.3 40 44 A L H < 0 0 47 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.757 360.0 360.0 -65.3 -27.5 24.0 33.5 7.5 41 45 A L < 0 0 54 -4,-1.2 -22,-0.1 -3,-0.2 -24,-0.0 -0.458 360.0 360.0-132.9 360.0 24.4 37.4 7.7 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 54 A G 0 0 69 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 0.000 360.0 360.0 360.0-170.9 28.1 48.2 1.5 44 55 A M E -b 21 0A 39 -24,-1.4 -22,-3.3 1,-0.1 2,-0.3 -0.321 360.0-114.0 -54.5 133.2 29.8 45.2 -0.2 45 56 A L E -bc 22 78A 41 32,-1.2 34,-2.7 -24,-0.2 2,-0.5 -0.617 30.2-171.7 -78.4 132.8 27.5 44.0 -3.0 46 57 A I E -bc 23 79A 1 -24,-3.2 -22,-3.3 -2,-0.3 2,-0.6 -0.979 7.1-165.3-122.6 113.1 25.8 40.6 -2.7 47 58 A S E +bc 24 80A 1 32,-2.9 34,-2.7 -2,-0.5 2,-0.4 -0.899 10.8 175.3-105.9 119.4 24.0 39.6 -5.8 48 59 A I E + c 0 81A 0 -24,-3.0 2,-0.3 -2,-0.6 34,-0.2 -0.976 23.3 96.6-124.6 134.8 21.5 36.7 -5.6 49 60 A G E - c 0 82A 0 32,-1.8 34,-2.3 -2,-0.4 2,-0.3 -0.942 60.0 -87.4 169.0 174.0 19.3 35.4 -8.3 50 61 A E E > - c 0 83A 17 -2,-0.3 3,-3.0 32,-0.2 6,-0.3 -0.763 61.7 -77.5-101.1 153.4 18.5 32.9 -11.1 51 62 A K T 3 S+ 0 0 88 32,-2.7 -1,-0.1 -2,-0.3 3,-0.1 -0.222 124.1 34.7 -46.2 132.5 19.6 33.4 -14.7 52 63 A G T 3 S+ 0 0 75 1,-0.5 -1,-0.3 4,-0.1 2,-0.2 0.018 90.3 118.4 98.0 -27.2 17.1 36.0 -16.2 53 64 A D S X S- 0 0 31 -3,-3.0 3,-1.1 1,-0.1 -1,-0.5 -0.493 72.2-125.9 -65.5 145.9 16.8 37.9 -13.0 54 65 A K G > S+ 0 0 144 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.860 105.2 65.8 -57.4 -38.5 18.0 41.6 -13.1 55 66 A S G 3 S+ 0 0 9 1,-0.3 -1,-0.2 -7,-0.2 3,-0.2 0.765 108.8 35.6 -60.0 -26.5 20.4 41.0 -10.2 56 67 A V G X S+ 0 0 2 -3,-1.1 3,-1.2 -6,-0.3 4,-0.3 0.152 76.4 116.2-119.7 23.0 22.6 38.6 -12.0 57 68 A R G X S+ 0 0 157 -3,-1.4 3,-1.2 1,-0.3 4,-0.2 0.870 75.3 57.4 -59.3 -37.1 22.6 40.0 -15.6 58 69 A K G 3 S+ 0 0 154 -4,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.734 110.4 44.3 -65.6 -23.9 26.4 40.7 -15.5 59 70 A Y G X> S+ 0 0 16 -3,-1.2 3,-2.1 1,-0.2 4,-1.2 0.322 74.5 114.8-106.7 9.3 27.1 37.0 -14.7 60 71 A S T <4 S+ 0 0 46 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.779 79.8 48.7 -54.6 -31.0 24.8 35.4 -17.2 61 72 A R T 34 S+ 0 0 214 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.621 107.5 55.2 -88.1 -11.3 27.7 33.9 -19.2 62 73 A Q T <4 S+ 0 0 57 -3,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.687 85.5 97.1 -85.5 -22.4 29.4 32.5 -16.0 63 74 A I S < S- 0 0 9 -4,-1.2 8,-0.1 -3,-0.1 20,-0.1 -0.560 84.3-115.9 -75.7 120.8 26.2 30.5 -15.0 64 75 A P - 0 0 16 0, 0.0 2,-1.9 0, 0.0 5,-0.2 -0.244 16.0-128.8 -57.1 141.1 26.5 26.9 -16.1 65 76 A D S S+ 0 0 131 -4,-0.1 2,-0.3 3,-0.1 48,-0.1 -0.461 73.7 105.5 -89.9 67.2 23.9 25.9 -18.6 66 77 A H S > S- 0 0 82 -2,-1.9 3,-2.0 46,-0.1 18,-0.2 -0.993 82.0 -93.9-143.6 142.1 22.9 22.9 -16.7 67 78 A K T 3 S+ 0 0 137 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.382 114.9 10.9 -51.7 133.7 19.8 22.0 -14.5 68 79 A E T 3 S+ 0 0 13 1,-0.2 -1,-0.3 45,-0.1 2,-0.1 0.530 99.6 143.4 71.0 11.5 20.7 22.8 -10.9 69 80 A G < - 0 0 0 -3,-2.0 15,-3.0 -5,-0.2 16,-0.6 -0.353 25.3-179.1 -78.9 158.7 23.8 24.7 -12.0 70 81 A Y E -DE 83 112A 0 42,-2.2 42,-2.4 13,-0.3 2,-0.4 -0.995 26.5-137.6-154.0 157.1 25.2 27.8 -10.3 71 82 A Y E -DE 82 111A 13 11,-3.2 11,-3.0 -2,-0.3 2,-0.4 -0.966 23.3-176.4-112.0 132.4 27.9 30.4 -10.4 72 83 A L E +DE 81 110A 0 38,-2.5 38,-3.2 -2,-0.4 2,-0.4 -1.000 3.6 176.2-128.6 131.8 29.4 31.5 -7.1 73 84 A S E -DE 80 109A 8 7,-2.2 7,-3.0 -2,-0.4 2,-0.4 -1.000 8.9-178.2-137.9 134.6 32.0 34.2 -6.7 74 85 A V E +DE 79 108A 1 34,-3.0 34,-1.0 -2,-0.4 2,-0.3 -0.990 23.6 137.7-128.2 123.9 33.6 35.8 -3.6 75 86 A N - 0 0 31 3,-1.8 -2,-0.0 -2,-0.4 -60,-0.0 -0.884 65.6 -78.5-147.6-175.2 36.1 38.6 -3.9 76 87 A E S S+ 0 0 109 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.848 125.2 36.5 -52.1 -41.4 37.1 41.9 -2.3 77 88 A K S S- 0 0 125 1,-0.2 -32,-1.2 -33,-0.1 2,-0.3 0.753 122.0 -4.6 -93.9 -28.9 34.3 43.9 -4.1 78 89 A E E -c 45 0A 19 -34,-0.2 -3,-1.8 2,-0.0 2,-0.4 -0.999 47.6-128.0-162.8 164.2 31.4 41.5 -4.2 79 90 A I E -cD 46 74A 0 -34,-2.7 -32,-2.9 -2,-0.3 2,-0.4 -0.973 23.9-163.9-116.9 128.9 29.7 38.2 -3.6 80 91 A V E +cD 47 73A 0 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.4 -0.956 14.8 173.9-118.0 130.8 27.8 36.5 -6.4 81 92 A L E +cD 48 72A 0 -34,-2.7 -32,-1.8 -2,-0.4 2,-0.5 -0.838 20.1 166.8-135.6 89.2 25.3 33.6 -5.8 82 93 A A E -cD 49 71A 0 -11,-3.0 -11,-3.2 -2,-0.4 2,-0.2 -0.927 17.0-162.0-124.1 112.9 23.7 32.9 -9.3 83 94 A G E -cD 50 70A 0 -34,-2.3 -32,-2.7 -2,-0.5 -13,-0.3 -0.573 25.1-141.7 -90.9 148.8 21.6 29.9 -10.2 84 95 A N S S- 0 0 31 -15,-3.0 2,-0.3 -2,-0.2 -14,-0.1 0.769 97.2 -1.5 -69.7 -26.5 20.8 28.6 -13.6 85 96 A D S > S- 0 0 42 -16,-0.6 4,-1.7 -36,-0.1 -1,-0.1 -0.864 95.6 -82.7-152.2 175.7 17.4 27.9 -12.0 86 97 A E H > S+ 0 0 105 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.875 128.5 50.2 -61.8 -37.1 15.8 28.3 -8.5 87 98 A R H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 106.3 56.2 -67.0 -39.2 17.4 25.0 -7.2 88 99 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.883 105.7 52.1 -53.9 -41.6 20.8 26.1 -8.5 89 100 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.936 109.0 48.9 -64.0 -46.5 20.5 29.3 -6.4 90 101 A Y H X S+ 0 0 8 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.923 111.4 51.1 -56.3 -42.0 19.7 27.2 -3.3 91 102 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.854 103.5 56.8 -67.3 -38.4 22.7 25.0 -4.1 92 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.928 108.2 50.2 -54.6 -44.5 25.0 28.0 -4.5 93 104 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.837 105.3 54.8 -62.7 -33.1 23.9 28.9 -0.9 94 105 A Q H X S+ 0 0 12 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.841 112.6 43.5 -72.4 -32.1 24.7 25.4 0.3 95 106 A T H >X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 3,-0.6 0.903 111.9 54.6 -71.4 -44.6 28.2 25.8 -1.0 96 107 A F H >X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.2 3,-0.6 0.902 102.6 56.4 -53.6 -46.0 28.4 29.3 0.4 97 108 A A H 3< S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 106.5 50.2 -59.2 -33.0 27.5 28.1 3.8 98 109 A Q H << S+ 0 0 49 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.737 106.7 54.4 -77.7 -25.5 30.5 25.6 3.8 99 110 A L H << S+ 0 0 14 -4,-1.3 2,-0.6 -3,-0.6 -2,-0.2 0.806 86.9 93.0 -74.3 -34.0 33.0 28.4 2.7 100 111 A L < + 0 0 34 -4,-1.6 2,-0.4 5,-0.1 5,-0.2 -0.531 52.8 168.2 -66.9 110.3 32.1 30.6 5.6 101 112 A K B > -F 104 0A 133 3,-2.7 3,-1.2 -2,-0.6 -3,-0.0 -0.952 66.3 -21.3-132.2 112.3 34.5 29.8 8.5 102 113 A D T 3 S- 0 0 166 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.888 125.6 -50.9 59.7 44.4 34.7 32.1 11.6 103 114 A G T 3 S+ 0 0 37 1,-0.2 -86,-3.0 -87,-0.1 2,-0.3 0.456 119.0 109.4 76.2 3.1 33.2 35.1 9.8 104 115 A K E < -AF 16 101A 95 -3,-1.2 -3,-2.7 -88,-0.3 -1,-0.2 -0.803 50.1-160.0-115.1 153.8 35.6 34.8 7.0 105 116 A L E -A 15 0A 1 -90,-2.4 -90,-2.7 -2,-0.3 2,-0.2 -0.977 20.5-123.6-127.9 139.8 35.3 33.7 3.3 106 117 A P E -A 14 0A 34 0, 0.0 2,-0.7 0, 0.0 -92,-0.2 -0.538 32.8-109.1 -77.3 152.1 37.9 32.5 0.9 107 118 A E E + 0 0 15 -94,-2.6 -96,-2.9 -2,-0.2 -95,-0.3 -0.781 63.7 148.2 -84.2 116.5 38.3 34.4 -2.3 108 119 A V E -AE 10 74A 3 -34,-1.0 -34,-3.0 -2,-0.7 2,-0.4 -0.961 43.7-151.6-150.6 154.5 36.9 31.9 -4.8 109 120 A E E -AE 9 73A 50 -100,-2.1 -100,-2.5 -2,-0.3 2,-0.4 -0.983 22.7-175.3-134.6 126.7 35.1 31.4 -8.0 110 121 A I E -AE 8 72A 0 -38,-3.2 -38,-2.5 -2,-0.4 2,-0.5 -0.974 18.0-172.7-125.9 133.8 33.0 28.3 -8.5 111 122 A K E +AE 7 71A 55 -104,-1.8 -104,-1.7 -2,-0.4 2,-0.3 -0.996 31.0 167.9-119.1 121.1 31.1 27.0 -11.5 112 123 A D E + E 0 70A 0 -42,-2.4 -42,-2.2 -2,-0.5 -46,-0.1 -0.917 18.4 149.8-142.0 155.0 29.1 23.9 -10.4 113 124 A Y - 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0 0 21 1,-0.2 4,-1.3 -235,-0.1 -2,-0.4 -0.796 68.9-172.4 -87.6 101.1 19.0 3.4 11.6 366 377 A A T 4 S+ 0 0 3 -2,-0.9 3,-0.4 1,-0.2 4,-0.4 0.922 76.1 42.2 -72.6 -50.2 18.4 6.8 10.1 367 378 A E T >4 S+ 0 0 9 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.907 112.4 55.4 -64.2 -40.1 21.1 8.9 11.7 368 379 A S T >4 S+ 0 0 3 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.795 100.8 61.0 -57.4 -34.5 23.7 6.2 11.3 369 380 A S T 3X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.4 -1,-0.3 0.552 80.2 85.2 -71.4 -12.8 23.0 6.1 7.6 370 381 A K H <> S+ 0 0 13 -3,-1.6 4,-2.6 -4,-0.4 5,-0.2 0.783 79.0 64.9 -67.5 -24.1 24.0 9.7 7.1 371 382 A I H <> S+ 0 0 7 -3,-0.9 4,-1.4 -4,-0.3 -1,-0.2 0.982 112.7 33.6 -55.1 -55.5 27.7 8.6 6.8 372 383 A A H > S+ 0 0 4 -4,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.870 116.8 55.6 -68.3 -42.0 26.7 6.8 3.5 373 384 A I H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.935 107.7 48.4 -58.4 -50.5 24.1 9.3 2.5 374 385 A Y H X S+ 0 0 14 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.871 113.9 48.0 -54.5 -40.7 26.5 12.2 2.6 375 386 A S H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.2 -2,-0.2 0.862 110.2 50.6 -73.3 -35.7 29.0 10.1 0.6 376 387 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.900 108.1 53.6 -65.7 -39.3 26.4 9.1 -2.0 377 388 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.892 111.7 46.0 -60.9 -41.0 25.4 12.8 -2.3 378 389 A S H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.944 115.1 46.4 -66.4 -49.8 29.1 13.6 -3.0 379 390 A Y H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.933 113.8 46.9 -58.3 -50.1 29.5 10.7 -5.5 380 391 A A H < S+ 0 0 0 -4,-3.1 -264,-0.7 1,-0.2 -265,-0.3 0.846 115.2 45.6 -64.9 -37.7 26.3 11.5 -7.4 381 392 A W H < S+ 0 0 0 -4,-1.9 -266,-2.2 -5,-0.3 -1,-0.2 0.931 135.9 8.6 -70.5 -47.3 26.9 15.2 -7.7 382 393 A N >< + 0 0 0 -4,-2.4 3,-0.6 -5,-0.2 -1,-0.2 -0.602 66.2 162.6-139.3 74.0 30.6 14.9 -8.8 383 394 A P G > S+ 0 0 6 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.868 75.0 63.5 -63.3 -37.9 31.6 11.2 -9.5 384 395 A A G 3 S+ 0 0 75 1,-0.3 -35,-0.1 -5,-0.1 -5,-0.1 0.847 112.4 35.4 -53.4 -40.2 34.7 12.3 -11.4 385 396 A K G < S+ 0 0 90 -3,-0.6 2,-0.3 -7,-0.2 -1,-0.3 0.183 85.4 142.5 -97.8 14.7 36.2 13.8 -8.2 386 397 A Y < - 0 0 28 -3,-1.8 2,-0.6 -37,-0.1 -37,-0.1 -0.450 29.1-170.9 -70.4 125.9 34.8 11.3 -5.8 387 398 A D > - 0 0 86 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.947 7.7-159.6-118.5 105.4 37.3 10.5 -3.0 388 399 A T H > S+ 0 0 37 -2,-0.6 4,-1.8 1,-0.2 -44,-0.3 0.909 85.1 34.6 -52.2 -57.9 36.1 7.6 -0.9 389 400 A W H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 116.4 51.8 -80.1 -38.3 38.0 8.1 2.3 390 401 A Q H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 111.5 49.2 -60.9 -41.1 38.1 11.9 2.5 391 402 A T H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.883 109.3 51.8 -67.2 -40.9 34.3 12.0 2.0 392 403 A W H X S+ 0 0 5 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.901 112.7 45.3 -59.8 -45.9 33.8 9.4 4.8 393 404 A K H X S+ 0 0 87 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.885 113.3 50.8 -63.3 -41.8 35.9 11.5 7.2 394 405 A D H X S+ 0 0 42 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.883 109.5 51.1 -61.8 -42.6 34.0 14.6 6.0 395 406 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.952 111.3 47.0 -60.3 -49.7 30.7 12.9 6.7 396 407 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.889 111.6 49.6 -61.4 -40.4 31.8 11.9 10.2 397 408 A R H < S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.827 114.3 47.1 -70.4 -30.7 33.1 15.4 11.1 398 409 A T H < S+ 0 0 71 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.884 115.3 44.7 -72.8 -43.3 29.8 16.8 9.8 399 410 A I H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.867 134.7 10.8 -70.2 -42.7 27.6 14.3 11.7 400 411 A L >< + 0 0 0 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 -0.496 66.4 166.7-140.6 65.0 29.4 14.4 15.0 401 412 A P G > S+ 0 0 67 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.867 76.4 58.7 -52.6 -38.1 31.9 17.3 15.1 402 413 A S G 3 S+ 0 0 71 1,-0.3 -5,-0.1 2,-0.1 3,-0.0 0.660 124.1 18.8 -70.1 -19.4 32.4 17.0 18.9 403 414 A A G <> S+ 0 0 2 -3,-1.6 4,-2.2 -7,-0.2 -1,-0.3 -0.156 78.6 139.6-143.0 47.3 33.6 13.4 18.8 404 415 A A H <> S+ 0 0 4 -3,-1.1 4,-2.8 1,-0.2 5,-0.2 0.896 74.4 48.8 -64.0 -41.6 34.7 12.9 15.1 405 416 A E H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 112.5 49.6 -69.0 -34.5 37.8 10.8 15.8 406 417 A E H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 111.3 47.8 -70.0 -41.6 35.8 8.6 18.2 407 418 A L H X S+ 0 0 3 -4,-2.2 4,-3.1 -7,-0.2 5,-0.3 0.904 110.8 53.0 -68.3 -37.9 33.1 8.0 15.7 408 419 A E H X S+ 0 0 25 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.911 108.3 50.5 -57.4 -45.5 35.8 7.3 13.0 409 420 A C H X S+ 0 0 11 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.969 114.7 43.3 -55.3 -50.9 37.3 4.7 15.4 410 421 A F H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.916 115.8 46.9 -64.2 -48.6 33.9 3.0 15.9 411 422 A A H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.2 -70,-0.3 0.879 104.5 60.7 -64.4 -37.3 32.8 3.2 12.2 412 423 A M H 3< S+ 0 0 39 -4,-2.6 17,-2.3 1,-0.3 18,-0.2 0.796 110.9 41.1 -66.4 -22.5 36.1 1.8 10.9 413 424 A H T << S+ 0 0 4 -4,-1.0 133,-1.4 -3,-0.6 -1,-0.3 0.135 111.5 58.6-105.3 17.2 35.5 -1.4 12.9 414 425 A N S < S+ 0 0 3 -3,-2.0 -73,-2.8 131,-0.2 -1,-0.2 -0.519 75.4 97.5-142.9 68.0 31.8 -1.6 12.0 415 426 A S + 0 0 3 -75,-0.2 -73,-0.2 -3,-0.2 13,-0.1 0.583 58.3 82.2-128.0 -35.8 31.8 -1.7 8.2 416 427 A D - 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0 0 8 -4,-0.7 2,-0.4 -3,-0.2 36,-0.1 -0.410 41.6-149.2 -69.6 141.6 -2.6 3.3 69.9 849 213 B K - 0 0 107 2,-0.1 2,-1.9 -2,-0.1 6,-0.2 -0.927 17.9-129.6-107.4 139.1 -5.2 4.3 72.4 850 214 B W S S+ 0 0 59 -2,-0.4 2,-0.2 4,-0.1 -2,-0.0 -0.463 73.9 105.9 -86.7 62.6 -4.8 3.0 75.9 851 215 B N S > S- 0 0 67 -2,-1.9 4,-1.9 1,-0.0 5,-0.2 -0.797 85.9 -95.7-131.9 176.9 -8.4 1.8 75.9 852 216 B K H > S+ 0 0 151 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.850 115.8 59.0 -63.7 -38.1 -10.3 -1.5 75.7 853 217 B E H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.938 111.5 37.9 -59.8 -47.5 -10.9 -1.3 72.0 854 218 B D H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.887 115.0 53.7 -76.2 -39.2 -7.3 -1.2 70.9 855 219 B R H X S+ 0 0 73 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.964 112.9 44.9 -54.1 -53.0 -6.1 -3.6 73.6 856 220 B D H X S+ 0 0 60 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.837 111.8 52.2 -60.3 -37.7 -8.7 -6.1 72.3 857 221 B L H X S+ 0 0 52 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.892 108.6 50.9 -67.5 -39.8 -7.8 -5.4 68.7 858 222 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.946 113.2 44.6 -62.7 -47.9 -4.1 -6.1 69.5 859 223 B L H X S+ 0 0 24 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.870 111.0 54.2 -66.1 -34.5 -4.9 -9.4 71.2 860 224 B A H X S+ 0 0 53 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.887 109.3 49.0 -63.8 -37.3 -7.3 -10.3 68.3 861 225 B K H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.947 110.0 49.6 -68.1 -47.6 -4.4 -9.7 65.9 862 226 B F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.899 108.5 55.1 -56.5 -39.9 -2.0 -11.8 67.9 863 227 B E H X S+ 0 0 54 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.910 106.9 49.8 -60.5 -41.7 -4.8 -14.5 67.9 864 228 B K H X S+ 0 0 98 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.877 111.6 48.4 -61.3 -39.4 -4.9 -14.4 64.1 865 229 B M H ><>S+ 0 0 1 -4,-1.9 5,-2.1 2,-0.2 3,-0.7 0.895 107.5 54.8 -68.5 -40.6 -1.2 -14.7 63.9 866 230 B Y H ><5S+ 0 0 28 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.904 104.1 56.2 -55.7 -41.0 -1.3 -17.7 66.4 867 231 B Q H 3<5S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.759 102.8 55.1 -64.3 -24.0 -3.8 -19.3 63.9 868 232 B L T <<5S- 0 0 31 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.443 131.9 -94.3 -86.6 -1.2 -1.1 -19.0 61.2 869 233 B G T < 5S+ 0 0 22 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.368 72.9 150.5 108.1 -2.1 1.3 -20.8 63.4 870 234 B V < + 0 0 1 -5,-2.1 -1,-0.3 1,-0.1 -31,-0.1 -0.441 13.0 169.4 -67.5 132.7 3.1 -18.0 65.2 871 235 B R + 0 0 64 -33,-0.7 38,-3.0 -2,-0.1 2,-0.3 0.381 59.9 57.9-124.9 7.1 4.4 -18.9 68.7 872 236 B S E -f 839 0F 2 -34,-0.8 -32,-2.3 36,-0.2 2,-0.3 -0.981 65.4-170.6-142.1 136.7 6.6 -16.0 69.6 873 237 B F E -fg 840 911F 1 37,-2.5 39,-1.9 -2,-0.3 2,-0.3 -0.956 9.5-171.4-133.6 148.8 5.5 -12.3 69.7 874 238 B A E -fg 841 912F 0 -34,-2.3 -32,-1.5 -2,-0.3 2,-0.4 -0.972 11.6-154.4-137.7 151.7 7.0 -8.9 70.1 875 239 B V E -fg 842 913F 0 37,-2.0 39,-1.9 -2,-0.3 2,-0.5 -0.997 18.3-158.2-123.6 122.6 5.6 -5.4 70.6 876 240 B F E + g 0 914F 0 -34,-3.3 -31,-0.6 -2,-0.4 40,-0.1 -0.895 21.9 174.3-108.5 131.1 7.8 -2.6 69.3 877 241 B F + 0 0 0 37,-2.6 3,-0.5 -2,-0.5 2,-0.3 -0.046 38.2 132.1-122.3 29.5 7.6 1.0 70.5 878 242 B D + 0 0 5 1,-0.2 38,-0.1 39,-0.1 39,-0.1 -0.592 66.2 10.6 -84.4 143.8 10.6 2.4 68.6 879 243 B D S S+ 0 0 54 37,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.898 95.3 124.8 61.9 46.5 10.6 5.6 66.6 880 244 B I - 0 0 21 -3,-0.5 2,-0.3 36,-0.1 -1,-0.2 -0.888 43.3-153.0-129.5 162.4 7.2 6.9 67.7 881 245 B S + 0 0 73 -2,-0.3 3,-0.4 -35,-0.1 2,-0.2 -0.917 51.2 27.9-127.7 158.0 5.8 10.1 69.3 882 246 B G S > S- 0 0 47 -2,-0.3 3,-1.9 1,-0.2 4,-0.1 -0.525 109.1 -16.6 101.3-159.1 2.8 10.8 71.5 883 247 B E G > S+ 0 0 141 1,-0.3 3,-1.5 -2,-0.2 -1,-0.2 0.734 119.6 72.2 -60.6 -27.2 0.8 8.8 74.0 884 248 B G G 3 S+ 0 0 2 -39,-0.5 -1,-0.3 -3,-0.4 -38,-0.1 0.614 85.1 69.3 -64.2 -12.2 2.1 5.5 72.9 885 249 B T G < + 0 0 44 -3,-1.9 -1,-0.3 -40,-0.1 -2,-0.2 0.414 66.8 121.9 -87.7 1.9 5.5 6.3 74.5 886 250 B N <> - 0 0 47 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 -0.517 50.5-158.0 -70.1 112.1 4.2 6.0 78.0 887 251 B P H > S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.823 89.5 53.9 -66.2 -33.0 6.2 3.4 79.8 888 252 B Q H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.934 113.8 42.5 -63.6 -45.0 3.6 2.6 82.5 889 253 B K H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 112.8 53.6 -69.0 -38.1 1.0 1.9 79.8 890 254 B Q H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.948 111.6 45.0 -58.7 -48.9 3.5 -0.0 77.7 891 255 B A H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 47,-0.3 0.897 111.8 52.4 -64.6 -40.8 4.4 -2.3 80.6 892 256 B E H X S+ 0 0 87 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.910 111.2 47.6 -61.7 -41.7 0.7 -2.8 81.5 893 257 B L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.943 113.3 46.8 -65.3 -45.5 -0.1 -3.7 77.9 894 258 B L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.918 112.7 50.2 -64.5 -40.8 2.9 -6.2 77.8 895 259 B N H X S+ 0 0 21 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.873 110.3 50.8 -63.6 -34.3 1.9 -7.7 81.1 896 260 B Y H X S+ 0 0 59 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.921 109.6 49.1 -71.3 -41.9 -1.7 -8.1 79.9 897 261 B I H X>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 4,-1.5 0.921 114.0 48.1 -59.1 -45.0 -0.5 -9.8 76.7 898 262 B D H <>S+ 0 0 9 -4,-2.6 5,-2.3 3,-0.2 3,-0.3 0.982 117.5 39.7 -58.2 -54.3 1.6 -12.1 79.0 899 263 B E H <5S+ 0 0 99 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.831 125.1 34.2 -71.3 -34.2 -1.3 -12.8 81.4 900 264 B K H <5S+ 0 0 118 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.506 137.1 8.9 -99.9 -6.3 -4.2 -13.2 78.9 901 265 B F T >X5S+ 0 0 11 -4,-1.5 4,-2.8 -3,-0.3 3,-1.4 0.487 124.7 48.5-137.6 -61.9 -2.4 -14.8 75.9 902 266 B A T 34< S- 0 0 50 -4,-2.8 3,-0.5 1,-0.1 -4,-0.1 -0.556 82.9-129.6 -74.9 146.6 -1.9 -20.5 75.1 906 270 B P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.664 93.8 30.3 -71.4 -19.4 -0.1 -23.9 75.6 907 271 B D T 3 + 0 0 61 -35,-0.0 2,-0.4 0, 0.0 -4,-0.1 -0.144 68.1 144.7-143.1 40.3 3.1 -23.2 73.6 908 272 B I < + 0 0 30 -3,-0.5 -36,-0.2 -6,-0.4 3,-0.1 -0.699 19.2 177.7 -82.0 134.2 4.1 -19.5 73.5 909 273 B N + 0 0 97 -38,-3.0 2,-0.3 -2,-0.4 -37,-0.2 0.793 53.4 25.7-100.2 -89.7 7.9 -19.1 73.5 910 274 B Q - 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