==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-09 2WZH . COMPND 2 MOLECULE: O-GLCNACASE BT_4395; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR Y.HE,G.J.DAVIES . 572 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.7 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 . 0 0.0 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 . 28 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 0 0 0 0 1 1 1 1 3 1 2 0 2 0 0 1 0 0 1 0 1 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 6 1 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 . 0 0 0 0 2 0 1 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 0 1 0 0 1 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 4 A S 0 0 104 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.2 -34.6 10.5 16.7 2 5 A L - 0 0 18 4,-0.1 94,-0.1 98,-0.0 98,-0.0 -0.992 360.0-133.4-136.3 124.2 -34.6 7.2 14.9 3 6 A Q S S+ 0 0 10 -2,-0.4 373,-0.1 1,-0.3 370,-0.0 -0.982 100.0 23.2-127.8 120.4 -31.7 4.7 14.5 4 7 A P S S- 0 0 1 0, 0.0 -1,-0.3 0, 0.0 372,-0.1 0.617 104.6-127.4 -72.4 151.5 -31.3 3.7 11.8 5 8 A P - 0 0 27 0, 0.0 378,-0.1 0, 0.0 -2,-0.1 -0.452 28.4-113.0 -66.5 138.6 -33.0 6.6 10.2 6 9 A P - 0 0 2 0, 0.0 3,-0.2 0, 0.0 107,-0.2 -0.186 15.5-117.9 -70.1 159.2 -35.8 5.6 7.8 7 10 A Q S S+ 0 0 43 1,-0.2 2,-0.4 105,-0.1 106,-0.2 0.851 101.7 18.4 -64.3 -36.7 -35.7 6.1 4.0 8 11 A Q E +A 112 0A 87 104,-1.3 104,-1.6 2,-0.0 2,-0.4 -0.995 68.3 170.2-145.7 130.5 -38.7 8.4 4.2 9 12 A L E -A 111 0A 72 -2,-0.4 2,-0.5 102,-0.2 102,-0.2 -0.974 10.5-174.3-146.5 123.5 -40.3 10.2 7.2 10 13 A I E -A 110 0A 81 100,-2.3 100,-1.5 -2,-0.4 2,-0.4 -0.990 13.0-165.1-122.0 119.4 -43.0 12.8 7.3 11 14 A V E -A 109 0A 74 -2,-0.5 98,-0.2 98,-0.2 -2,-0.0 -0.866 9.8-162.2-110.2 138.8 -43.6 14.3 10.8 12 15 A Q E - 0 0 101 96,-2.5 97,-0.1 -2,-0.4 3,-0.1 0.373 34.0-120.2-107.8 3.7 -46.8 16.3 11.5 13 16 A N E S+ 0 0 163 95,-0.3 2,-0.3 1,-0.2 96,-0.1 0.899 80.5 105.0 55.7 40.8 -46.0 18.3 14.7 14 17 A K E - 0 0 99 94,-0.3 94,-2.5 2,-0.0 2,-0.3 -0.948 56.5-148.6-137.7 159.8 -48.8 16.6 16.6 15 18 A T E -A 107 0A 92 -2,-0.3 2,-0.3 92,-0.3 62,-0.0 -0.987 5.1-159.8-138.3 148.0 -48.8 13.9 19.2 16 19 A I E -A 106 0A 17 90,-2.8 90,-2.4 -2,-0.3 2,-0.4 -0.763 23.6-112.2-122.6 157.8 -51.2 11.1 20.0 17 20 A D E -A 105 0A 111 -2,-0.3 88,-0.2 88,-0.2 87,-0.1 -0.750 35.3-105.4 -94.1 141.2 -51.7 9.1 23.1 18 21 A L - 0 0 36 86,-2.3 2,-0.1 -2,-0.4 -1,-0.0 -0.526 58.4-101.7 -60.8 122.4 -50.9 5.4 23.2 19 22 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.280 27.7-159.8 -61.4 124.8 -54.5 4.3 23.2 20 23 A A S S+ 0 0 108 1,-0.2 2,-0.4 -2,-0.1 -2,-0.0 0.868 92.3 32.9 -66.7 -39.4 -55.8 3.1 26.6 21 24 A V S S+ 0 0 107 2,-0.0 24,-1.3 -3,-0.0 2,-0.3 -0.980 83.9 161.4-113.6 134.2 -58.5 1.3 24.6 22 25 A Y E -b 45 0A 84 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.978 35.2-134.4-148.9 159.6 -57.6 -0.2 21.2 23 26 A Q E -b 46 0A 106 22,-2.7 24,-2.7 -2,-0.3 2,-0.7 -0.981 21.8-151.2-119.3 120.5 -58.8 -2.7 18.6 24 27 A L E -b 47 0A 44 -2,-0.5 2,-0.5 22,-0.2 3,-0.2 -0.846 11.0-172.0 -99.6 113.6 -56.0 -5.0 17.2 25 28 A N E S+b 48 0A 63 22,-2.7 24,-2.3 -2,-0.7 -2,-0.0 -0.904 70.7 21.1-100.6 128.8 -56.5 -6.3 13.6 26 29 A G S >> S+ 0 0 18 -2,-0.5 4,-2.1 22,-0.2 3,-1.6 0.259 72.2 130.8 106.0 -7.4 -54.0 -8.9 12.4 27 30 A G T 34 S+ 0 0 21 1,-0.3 8,-0.1 -3,-0.2 -2,-0.1 0.755 78.5 45.2 -49.5 -32.8 -52.5 -10.3 15.7 28 31 A E T 34 S+ 0 0 182 1,-0.1 -1,-0.3 7,-0.0 22,-0.1 0.687 119.4 38.6 -89.6 -16.9 -53.0 -13.9 14.6 29 32 A E T <4 S+ 0 0 132 -3,-1.6 22,-0.2 20,-0.2 -2,-0.2 0.557 97.1 90.2-108.4 -12.7 -51.7 -13.5 11.0 30 33 A A S < S- 0 0 6 -4,-2.1 57,-0.1 1,-0.2 20,-0.1 -0.374 98.4 -68.3 -83.1 163.7 -48.8 -11.2 11.5 31 34 A N > - 0 0 2 1,-0.2 4,-2.5 56,-0.1 5,-0.2 -0.272 45.0-140.4 -44.6 127.2 -45.2 -12.1 12.3 32 35 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.904 101.4 54.9 -65.8 -39.3 -45.4 -13.6 15.8 33 36 A H H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.870 111.6 45.0 -62.0 -33.3 -42.1 -11.9 16.8 34 37 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 111.6 51.0 -74.6 -44.1 -43.5 -8.6 15.7 35 38 A V H X S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.866 107.3 56.2 -57.6 -37.5 -46.9 -9.1 17.5 36 39 A K H X S+ 0 0 131 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.938 107.0 46.9 -61.8 -49.3 -44.9 -10.0 20.6 37 40 A V H X S+ 0 0 27 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.913 112.8 53.3 -57.6 -38.5 -43.1 -6.6 20.6 38 41 A L H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 3,-0.3 0.963 108.3 46.4 -65.0 -48.9 -46.5 -4.9 20.0 39 42 A K H < S+ 0 0 115 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.874 108.0 55.1 -65.8 -37.6 -48.3 -6.5 22.9 40 43 A E H < S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.887 108.9 50.3 -61.3 -34.8 -45.5 -5.8 25.4 41 44 A L H < 0 0 49 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.746 360.0 360.0 -68.9 -26.4 -45.8 -2.1 24.3 42 45 A L < 0 0 56 -4,-1.2 -3,-0.1 -3,-0.4 -22,-0.1 0.119 360.0 360.0 -99.4 360.0 -49.6 -2.2 24.9 43 ! 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 44 54 A G 0 0 78 0, 0.0 -22,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 162.2 -61.5 1.8 20.5 45 55 A M E -b 22 0A 32 -24,-1.3 -22,-2.7 1,-0.1 2,-0.3 -0.328 360.0-122.0 -61.3 127.0 -58.6 3.0 18.3 46 56 A L E -bc 23 79A 42 32,-0.7 34,-2.4 -24,-0.2 2,-0.4 -0.562 26.1-174.5 -75.6 126.2 -57.7 0.7 15.4 47 57 A I E -bc 24 80A 0 -24,-2.7 -22,-2.7 -2,-0.3 2,-0.5 -0.996 8.6-162.6-117.5 124.3 -54.1 -0.7 15.2 48 58 A S E +bc 25 81A 2 32,-3.0 34,-2.9 -2,-0.4 2,-0.4 -0.922 12.4 172.9-113.6 123.7 -53.4 -2.8 12.1 49 59 A I E + c 0 82A 0 -24,-2.3 2,-0.3 -2,-0.5 -20,-0.2 -0.988 22.9 101.1-132.9 138.6 -50.4 -5.2 12.0 50 60 A G E - c 0 83A 0 32,-1.7 34,-2.1 -2,-0.4 2,-0.3 -0.935 60.7 -88.2 167.3 167.1 -49.6 -7.6 9.2 51 61 A E E > - c 0 84A 14 -2,-0.3 3,-2.8 -22,-0.2 6,-0.3 -0.775 61.6 -81.9 -97.0 148.9 -47.5 -8.5 6.2 52 62 A K T 3 S+ 0 0 87 32,-2.4 -1,-0.1 -2,-0.3 3,-0.1 -0.209 122.5 41.4 -46.4 128.7 -48.7 -7.5 2.7 53 63 A G T 3 S+ 0 0 72 1,-0.5 -1,-0.3 -3,-0.0 2,-0.2 0.005 88.3 117.1 112.4 -29.8 -51.2 -10.1 1.7 54 64 A D S X> S- 0 0 28 -3,-2.8 3,-0.9 1,-0.1 4,-0.6 -0.481 72.4-128.5 -69.7 142.0 -52.8 -10.2 5.1 55 65 A K G >4 S+ 0 0 158 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.858 105.5 67.5 -56.1 -35.0 -56.5 -9.1 5.3 56 66 A S G 34 S+ 0 0 21 1,-0.2 3,-0.3 -7,-0.1 -1,-0.2 0.860 110.3 30.7 -55.2 -37.4 -55.4 -6.7 8.2 57 67 A V G X4 S+ 0 0 1 -3,-0.9 3,-2.2 -6,-0.3 -1,-0.2 0.342 80.0 115.3-112.2 9.6 -53.3 -4.5 5.9 58 68 A R G X< S+ 0 0 164 -3,-0.8 3,-1.2 -4,-0.6 4,-0.2 0.804 74.9 58.4 -43.4 -40.0 -55.2 -4.7 2.6 59 69 A K G 3 S+ 0 0 175 -4,-0.3 -1,-0.3 -3,-0.3 3,-0.2 0.728 110.3 43.0 -70.9 -19.1 -56.1 -1.0 2.7 60 70 A Y G X> S+ 0 0 19 -3,-2.2 3,-1.8 1,-0.1 4,-0.9 0.201 73.6 115.5-109.9 18.4 -52.5 0.0 2.9 61 71 A S T <4 S+ 0 0 50 -3,-1.2 3,-0.4 1,-0.3 -1,-0.1 0.810 77.5 52.8 -68.6 -22.8 -50.8 -2.3 0.3 62 72 A R T 34 S+ 0 0 226 -3,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.609 105.2 58.9 -80.6 -12.3 -49.8 0.6 -2.0 63 73 A Q T <4 S+ 0 0 48 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.748 84.3 92.2 -83.8 -27.2 -48.2 2.2 1.0 64 74 A I S < S- 0 0 9 -4,-0.9 8,-0.1 -3,-0.4 20,-0.1 -0.561 83.5-118.8 -76.3 120.1 -45.8 -0.7 1.7 65 75 A P - 0 0 17 0, 0.0 2,-2.0 0, 0.0 5,-0.2 -0.363 19.9-126.0 -60.2 137.2 -42.5 -0.3 0.0 66 76 A D S S+ 0 0 137 -4,-0.1 2,-0.4 3,-0.1 48,-0.1 -0.454 71.8 109.9 -85.0 65.2 -41.8 -3.1 -2.4 67 77 A H S > S- 0 0 86 -2,-2.0 3,-2.5 46,-0.1 18,-0.2 -0.997 80.2 -95.1-138.4 141.7 -38.4 -4.1 -0.9 68 78 A K T 3 S+ 0 0 127 -2,-0.4 -2,-0.0 1,-0.3 18,-0.0 -0.345 116.5 10.4 -44.4 127.0 -37.2 -7.1 1.0 69 79 A E T 3 S+ 0 0 3 1,-0.2 -1,-0.3 45,-0.1 -3,-0.1 0.531 99.5 141.9 73.9 8.7 -37.5 -6.0 4.7 70 80 A G < + 0 0 0 -3,-2.5 15,-2.6 -5,-0.2 16,-0.6 -0.261 25.2 179.9 -76.4 165.4 -39.5 -2.9 3.9 71 81 A Y E -DE 84 113A 0 42,-2.6 42,-2.4 13,-0.3 2,-0.4 -0.980 25.5-139.4-161.8 152.9 -42.4 -1.6 5.9 72 82 A Y E -DE 83 112A 11 11,-2.8 11,-2.7 -2,-0.3 2,-0.4 -0.959 22.7-175.2-111.3 135.7 -45.0 1.2 6.1 73 83 A L E -DE 82 111A 0 38,-2.4 38,-3.0 -2,-0.4 2,-0.4 -0.998 2.4-179.6-132.3 130.1 -45.7 2.6 9.5 74 84 A S E -DE 81 110A 5 7,-2.5 7,-2.7 -2,-0.4 2,-0.4 -0.997 8.5-178.7-133.4 132.7 -48.4 5.2 10.1 75 85 A V E +DE 80 109A 0 34,-2.8 34,-1.0 -2,-0.4 2,-0.3 -0.991 21.8 139.0-122.6 123.5 -49.5 7.0 13.3 76 86 A N - 0 0 36 3,-2.1 -2,-0.0 -2,-0.4 -60,-0.0 -0.902 65.0 -88.2-144.8-178.0 -52.4 9.5 13.4 77 87 A E S S+ 0 0 152 -2,-0.3 3,-0.1 1,-0.2 -60,-0.1 0.751 123.6 43.3 -65.6 -22.4 -55.3 10.4 15.7 78 88 A K S S- 0 0 159 1,-0.2 -32,-0.7 -33,-0.1 2,-0.3 0.890 121.7 -8.9 -91.0 -40.4 -57.6 7.9 14.0 79 89 A E E -c 46 0A 32 -34,-0.1 -3,-2.1 2,-0.0 2,-0.4 -0.964 47.2-130.4-153.4 165.6 -55.4 4.8 13.6 80 90 A I E -cD 47 75A 0 -34,-2.4 -32,-3.0 -2,-0.3 2,-0.4 -0.988 20.9-167.7-120.8 135.4 -52.0 3.0 13.7 81 91 A V E +cD 48 74A 0 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.4 -0.991 12.5 176.1-125.4 126.6 -50.6 0.9 10.8 82 92 A L E +cD 49 73A 0 -34,-2.9 -32,-1.7 -2,-0.4 2,-0.6 -0.854 20.3 167.5-129.3 90.0 -47.6 -1.4 11.1 83 93 A A E -cD 50 72A 0 -11,-2.7 -11,-2.8 -2,-0.4 -32,-0.2 -0.914 16.9-162.9-120.3 111.4 -47.4 -3.1 7.7 84 94 A G E -cD 51 71A 0 -34,-2.1 -32,-2.4 -2,-0.6 -13,-0.3 -0.560 24.1-140.5 -86.3 151.9 -44.4 -5.2 6.5 85 95 A N S S- 0 0 29 -15,-2.6 2,-0.3 -18,-0.2 -14,-0.1 0.743 96.1 -0.2 -72.9 -25.0 -43.6 -6.1 3.0 86 96 A D S > S- 0 0 45 -16,-0.6 4,-1.8 -36,-0.1 5,-0.2 -0.881 96.4 -82.9-152.2 175.2 -42.6 -9.5 4.5 87 97 A E H > S+ 0 0 112 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.855 128.7 48.8 -59.0 -37.3 -42.4 -10.9 8.0 88 98 A R H > S+ 0 0 36 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.907 106.4 57.8 -72.7 -37.2 -39.1 -9.3 8.8 89 99 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 104.6 52.2 -53.2 -39.5 -40.4 -5.9 7.5 90 100 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.944 109.3 48.4 -66.6 -42.7 -43.2 -6.2 10.1 91 101 A Y H X S+ 0 0 9 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.934 110.0 52.5 -61.1 -45.8 -40.6 -6.8 12.8 92 102 A Y H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.896 104.4 56.5 -57.0 -39.6 -38.6 -3.8 11.6 93 103 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.914 107.2 50.2 -53.1 -45.9 -41.8 -1.6 11.8 94 104 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.872 106.2 53.3 -65.6 -36.5 -42.1 -2.6 15.4 95 105 A Q H X S+ 0 0 10 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.837 113.5 44.1 -68.9 -33.7 -38.4 -1.7 16.2 96 106 A T H >X S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.2 4,-1.1 0.935 112.4 53.6 -67.9 -46.6 -39.1 1.8 14.7 97 107 A F H >X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.3 3,-0.8 0.892 102.7 56.5 -52.8 -48.1 -42.4 2.0 16.5 98 108 A A H 3< S+ 0 0 35 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.759 106.2 51.6 -57.8 -27.4 -40.8 1.3 19.9 99 109 A Q H << S+ 0 0 49 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.708 104.7 56.0 -83.2 -21.7 -38.4 4.3 19.4 100 110 A L H << S+ 0 0 16 -4,-1.1 -2,-0.2 -3,-0.8 2,-0.2 0.855 87.9 92.3 -74.2 -36.3 -41.3 6.6 18.6 101 111 A L < + 0 0 31 -4,-1.6 2,-0.3 5,-0.1 5,-0.2 -0.412 49.9 164.8 -63.1 126.2 -43.0 5.8 21.9 102 112 A K - 0 0 124 3,-2.3 -3,-0.0 -2,-0.2 -1,-0.0 -0.778 69.1 -17.5-150.2 100.1 -42.0 8.3 24.6 103 113 A D S S- 0 0 161 -2,-0.3 3,-0.1 1,-0.2 -85,-0.1 0.870 126.1 -53.2 73.1 38.4 -43.9 8.6 27.9 104 114 A G S S+ 0 0 36 1,-0.2 -86,-2.3 -87,-0.1 2,-0.3 0.792 119.1 107.5 67.1 28.9 -47.0 6.8 26.5 105 115 A K E -A 17 0A 99 -88,-0.2 -3,-2.3 -5,-0.1 -1,-0.2 -0.974 49.1-162.5-138.2 151.6 -47.1 9.2 23.6 106 116 A L E -A 16 0A 1 -90,-2.4 -90,-2.8 -2,-0.3 2,-0.1 -0.962 21.7-121.0-130.9 148.5 -46.4 9.0 19.9 107 117 A P E -A 15 0A 34 0, 0.0 2,-0.7 0, 0.0 -92,-0.3 -0.483 37.2-105.0 -78.5 161.3 -45.7 11.7 17.2 108 118 A E E + 0 0 29 -94,-2.5 -96,-2.5 -2,-0.1 -95,-0.3 -0.825 63.6 152.6 -85.7 117.3 -48.1 11.8 14.3 109 119 A V E -AE 11 75A 7 -34,-1.0 -34,-2.8 -2,-0.7 2,-0.4 -0.937 42.7-152.2-143.0 168.4 -45.9 10.3 11.5 110 120 A E E -AE 10 74A 63 -100,-1.5 -100,-2.3 -2,-0.3 2,-0.4 -0.965 24.5-178.2-146.2 117.6 -45.9 8.4 8.2 111 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A M H <>S+ 0 0 1 -4,-2.4 5,-2.2 2,-0.2 3,-0.3 0.872 107.7 54.4 -59.9 -37.9 -25.4 -27.8 11.8 220 230 A Y H ><5S+ 0 0 29 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.948 104.2 54.7 -60.7 -47.6 -28.6 -28.0 9.7 221 231 A Q H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.2 56.5 -54.7 -29.5 -30.0 -30.4 12.3 222 232 A L T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.369 131.1 -93.7 -83.1 2.8 -29.3 -27.8 15.0 223 233 A G T < 5S+ 0 0 23 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.355 73.5 151.3 106.4 -3.9 -31.4 -25.2 13.1 224 234 A V < + 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -31,-0.1 -0.362 12.9 167.9 -68.7 137.9 -28.7 -23.5 11.1 225 235 A R + 0 0 66 -33,-0.7 38,-2.4 1,-0.2 2,-0.3 0.386 60.0 56.1-131.3 -4.1 -30.0 -22.1 7.8 226 236 A S E -i 193 0B 1 -34,-0.9 -32,-2.1 36,-0.2 2,-0.3 -0.977 64.8-173.3-130.2 151.3 -27.1 -19.9 6.6 227 237 A F E -ij 194 265B 1 37,-2.3 39,-2.1 -2,-0.3 2,-0.3 -0.965 9.9-168.5-145.3 149.6 -23.5 -21.0 6.0 228 238 A A E -ij 195 266B 0 -34,-2.0 -32,-1.7 -2,-0.3 2,-0.5 -0.980 12.2-150.8-140.3 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1,-0.1 -1,-0.3 -32,-0.1 -39,-0.1 -0.821 73.9 159.0 -87.2 93.3 -6.7 -13.0 -1.0 272 282 A Y + 0 0 11 -2,-1.1 25,-3.0 -3,-0.2 26,-0.5 0.190 52.1 48.4-108.6 8.8 -9.4 -10.8 0.7 273 283 A N S > S- 0 0 0 23,-0.2 3,-1.4 24,-0.2 26,-0.2 -0.986 82.2-113.8-145.7 161.4 -7.9 -7.3 0.2 274 284 A K G > S+ 0 0 85 24,-2.1 3,-1.1 -2,-0.3 26,-0.2 0.917 109.4 59.5 -60.1 -47.7 -6.5 -5.3 -2.7 275 285 A S G 3 S+ 0 0 70 24,-2.2 -1,-0.3 1,-0.3 25,-0.1 0.570 97.3 66.1 -61.6 -6.6 -2.8 -5.1 -1.5 276 286 A W G < 0 0 117 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 -0.032 360.0 360.0-110.9 34.4 -2.6 -8.9 -1.5 277 287 A S < 0 0 83 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.380 360.0 360.0-157.4 360.0 -2.9 -9.6 -5.2 278 ! 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 0.0 279 292 A N > 0 0 160 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 12.2 -5.3 -14.7 -11.3 280 293 A Y H > + 0 0 15 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.881 360.0 44.3 -54.8 -47.6 -6.8 -15.7 -7.9 281 294 A L H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 113.9 47.4 -74.3 -41.4 -9.7 -13.2 -7.9 282 295 A T H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.833 107.2 58.6 -66.4 -36.8 -10.8 -13.6 -11.5 283 296 A T H X S+ 0 0 28 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.963 112.7 40.0 -55.2 -48.4 -10.7 -17.4 -11.1 284 297 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.895 114.1 52.6 -66.0 -43.9 -13.3 -17.0 -8.2 285 298 A G H < S+ 0 0 5 -4,-2.5 -1,-0.2 31,-0.2 -2,-0.2 0.862 117.0 39.0 -61.1 -37.6 -15.3 -14.4 -10.0 286 299 A D H < S+ 0 0 95 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.807 123.9 35.1 -81.8 -34.6 -15.7 -16.5 -13.1 287 300 A K H < S+ 0 0 109 -4,-2.0 2,-0.2 -5,-0.2 -3,-0.2 0.807 91.7 91.8 -93.9 -35.1 -16.1 -20.0 -11.5 288 301 A L S < S- 0 0 5 -4,-2.1 -42,-0.1 -5,-0.3 -43,-0.1 -0.441 89.0-101.1 -72.2 128.3 -18.2 -19.5 -8.3 289 302 A N > - 0 0 49 -44,-0.3 3,-1.6 -2,-0.2 -1,-0.1 -0.169 32.9-119.3 -46.7 140.2 -21.9 -19.7 -8.8 290 303 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.725 109.1 59.2 -64.1 -25.2 -23.5 -16.2 -9.0 291 304 A S T 3 S+ 0 0 71 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