==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-09 2WCA . COMPND 2 MOLECULE: O-GLCNACASE BT_4395; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR Y.HE,G.J.DAVIES . 578 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 67.3 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 . 23 4.0 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 . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 2 0 2 2 1 2 0 2 0 0 0 1 0 1 0 1 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 4 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 . 1 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 0 1 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 5 A L 0 0 67 0, 0.0 95,-0.1 0, 0.0 99,-0.0 0.000 360.0 360.0 360.0 123.1 -33.9 7.1 14.1 2 6 A Q + 0 0 9 1,-0.2 377,-0.1 2,-0.1 97,-0.1 -0.998 360.0 23.6-132.2 124.8 -31.1 4.6 13.5 3 7 A P S S- 0 0 1 0, 0.0 -1,-0.2 0, 0.0 376,-0.1 0.745 106.0-121.3 -63.1 156.7 -30.6 3.5 10.9 4 8 A P - 0 0 30 0, 0.0 382,-0.1 0, 0.0 -2,-0.1 -0.560 30.1-110.9 -69.9 128.8 -32.4 6.5 9.2 5 9 A P - 0 0 9 0, 0.0 3,-0.2 0, 0.0 108,-0.2 -0.063 16.6-121.3 -49.6 152.7 -35.4 5.5 7.0 6 10 A Q S S+ 0 0 30 1,-0.3 2,-0.4 106,-0.2 107,-0.2 0.891 101.3 16.3 -63.5 -38.5 -35.2 5.9 3.3 7 11 A Q E S+A 112 0A 107 105,-1.7 105,-2.0 2,-0.0 2,-0.4 -0.998 71.0 173.6-143.5 135.4 -38.2 8.1 3.5 8 12 A L E -A 111 0A 84 -2,-0.4 2,-0.5 103,-0.2 103,-0.2 -0.990 11.2-175.8-146.5 124.0 -39.7 10.0 6.5 9 13 A I E -A 110 0A 70 101,-2.5 101,-2.5 -2,-0.4 2,-0.5 -0.987 12.7-163.2-121.1 119.8 -42.5 12.5 6.8 10 14 A V E -A 109 0A 77 -2,-0.5 99,-0.2 99,-0.2 -2,-0.0 -0.893 7.9-158.0-104.7 131.0 -43.0 13.9 10.4 11 15 A Q E - 0 0 87 97,-3.5 98,-0.1 -2,-0.5 3,-0.1 0.395 29.7-126.7 -96.5 2.4 -46.3 15.7 11.0 12 16 A N E S+ 0 0 157 96,-0.4 2,-0.2 1,-0.2 97,-0.1 0.407 77.4 102.7 71.6 -4.3 -45.3 17.8 14.0 13 17 A K E - 0 0 94 95,-0.3 95,-2.3 0, 0.0 2,-0.4 -0.629 59.7-145.9 -98.3 165.9 -48.2 16.5 16.2 14 18 A T E -A 107 0A 90 93,-0.3 2,-0.2 -2,-0.2 62,-0.0 -0.988 10.2-164.3-139.2 127.5 -47.8 13.9 18.9 15 19 A I E -A 106 0A 14 91,-2.6 91,-2.9 -2,-0.4 2,-0.3 -0.677 24.5-108.2-105.5 161.5 -50.3 11.2 20.0 16 20 A D E -A 105 0A 104 -2,-0.2 89,-0.2 89,-0.2 88,-0.1 -0.674 36.5-106.7 -80.3 141.2 -50.6 9.0 23.1 17 21 A L - 0 0 33 87,-2.7 -1,-0.0 -2,-0.3 4,-0.0 -0.567 61.3 -92.8 -55.6 129.0 -49.8 5.3 22.8 18 22 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.252 25.9-154.0 -60.1 135.0 -53.5 4.1 23.1 19 23 A A S S+ 0 0 99 1,-0.3 2,-0.4 -3,-0.1 -2,-0.0 0.883 94.4 26.2 -66.7 -40.5 -54.8 3.2 26.5 20 24 A V S S+ 0 0 105 2,-0.0 25,-2.1 -3,-0.0 2,-0.3 -0.990 82.8 178.5-125.9 131.7 -57.2 0.9 24.7 21 25 A Y E -b 45 0A 73 -2,-0.4 2,-0.6 23,-0.3 25,-0.2 -0.925 29.8-135.2-135.2 156.4 -56.4 -0.6 21.3 22 26 A Q E -b 46 0A 116 23,-2.3 25,-2.5 -2,-0.3 2,-0.8 -0.958 24.6-151.5-109.6 116.5 -57.8 -2.9 18.6 23 27 A L E -b 47 0A 53 -2,-0.6 2,-0.5 23,-0.2 3,-0.2 -0.791 15.3-177.3 -96.9 109.8 -55.1 -5.3 17.4 24 28 A N E +b 48 0A 66 23,-2.7 25,-2.6 -2,-0.8 -2,-0.0 -0.926 66.4 20.3-110.3 119.4 -55.7 -6.4 13.8 25 29 A G S >> S+ 0 0 14 -2,-0.5 4,-2.2 23,-0.2 3,-1.7 0.324 74.0 129.8 110.3 -4.0 -53.2 -8.9 12.2 26 30 A G T 34 S+ 0 0 18 1,-0.3 8,-0.1 -3,-0.2 -2,-0.1 0.723 76.0 46.8 -54.5 -28.4 -51.7 -10.5 15.4 27 31 A E T 34 S+ 0 0 189 1,-0.1 -1,-0.3 7,-0.0 -3,-0.0 0.541 121.4 34.0 -93.2 -7.8 -52.3 -14.0 14.2 28 32 A E T <4 S+ 0 0 131 -3,-1.7 23,-0.2 21,-0.2 -2,-0.2 0.514 96.5 88.1-127.3 -6.8 -51.0 -13.6 10.7 29 33 A A S < S- 0 0 5 -4,-2.2 5,-0.1 1,-0.2 58,-0.1 -0.499 100.2 -65.5 -80.7 160.0 -48.1 -11.1 11.0 30 34 A N >> - 0 0 2 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.273 43.9-140.6 -44.4 117.9 -44.5 -12.2 11.7 31 35 A P H 3> S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.799 101.6 58.1 -56.6 -34.3 -44.6 -13.7 15.3 32 36 A H H 3> S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.865 110.8 43.2 -62.0 -37.6 -41.2 -12.1 16.0 33 37 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.891 112.7 50.5 -74.7 -42.7 -42.7 -8.7 15.2 34 38 A V H X S+ 0 0 12 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.897 107.3 56.9 -59.7 -38.8 -46.0 -9.3 17.1 35 39 A K H X S+ 0 0 118 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.940 108.7 44.5 -60.0 -50.8 -43.9 -10.4 20.1 36 40 A V H X S+ 0 0 21 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.921 113.6 51.3 -56.0 -49.7 -42.1 -7.0 20.1 37 41 A L H >< S+ 0 0 2 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.934 108.9 48.7 -57.5 -50.9 -45.3 -5.1 19.6 38 42 A K H >< S+ 0 0 117 -4,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.823 107.8 56.4 -61.7 -30.4 -47.1 -6.9 22.5 39 43 A E H 3< S+ 0 0 125 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.842 101.6 59.1 -63.6 -33.6 -44.1 -6.1 24.7 40 44 A L T << S+ 0 0 46 -4,-1.4 2,-0.3 -3,-0.7 -1,-0.2 0.552 108.3 43.3 -76.7 -8.8 -44.5 -2.4 23.9 41 45 A L < 0 0 15 -3,-0.8 -1,-0.1 -4,-0.5 -22,-0.0 -0.958 360.0 360.0-146.5 127.9 -48.1 -2.1 25.3 42 46 A S 0 0 156 -2,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.163 360.0 360.0-126.0 360.0 -49.9 -3.4 28.4 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 76 0, 0.0 -23,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-178.7 -60.1 1.2 20.9 45 55 A M E -b 21 0A 38 -25,-2.1 -23,-2.3 1,-0.1 2,-0.2 -0.496 360.0-116.3 -69.3 129.6 -57.6 2.8 18.5 46 56 A L E -bc 22 79A 48 32,-0.8 34,-2.1 -2,-0.2 2,-0.4 -0.428 30.5-177.1 -73.8 136.1 -56.8 0.5 15.5 47 57 A I E -bc 23 80A 1 -25,-2.5 -23,-2.7 32,-0.2 2,-0.5 -0.992 8.6-161.5-132.4 123.6 -53.3 -0.9 15.0 48 58 A S E -bc 24 81A 1 32,-2.6 34,-3.2 -2,-0.4 2,-0.4 -0.919 9.3-179.7-114.8 126.2 -52.7 -3.1 11.9 49 59 A I E + c 0 82A 0 -25,-2.6 2,-0.3 -2,-0.5 34,-0.2 -0.982 25.7 98.0-125.9 132.7 -49.7 -5.4 11.7 50 60 A G E - c 0 83A 0 32,-1.7 34,-1.9 -2,-0.4 2,-0.3 -0.963 58.3 -89.7 174.2 173.4 -48.9 -7.6 8.7 51 61 A E E > - c 0 84A 17 -2,-0.3 3,-3.2 -23,-0.2 6,-0.3 -0.770 62.5 -77.7 -97.8 149.8 -47.0 -8.4 5.5 52 62 A K T 3 S+ 0 0 103 32,-2.2 -1,-0.1 -2,-0.3 3,-0.1 -0.218 125.0 35.5 -41.9 126.3 -48.2 -7.5 2.0 53 63 A G T 3 S+ 0 0 75 1,-0.5 -1,-0.3 4,-0.1 2,-0.1 0.089 87.6 121.6 103.9 -23.6 -50.9 -10.1 1.3 54 64 A D X - 0 0 27 -3,-3.2 3,-0.5 1,-0.1 -1,-0.5 -0.473 69.2-129.0 -62.7 143.7 -52.1 -10.3 4.8 55 65 A K G > S+ 0 0 145 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.880 105.0 62.1 -57.8 -39.9 -55.8 -9.5 5.2 56 66 A S G 3 S+ 0 0 15 1,-0.3 -1,-0.2 -7,-0.2 3,-0.2 0.749 108.6 38.2 -66.3 -30.1 -55.0 -7.0 7.9 57 67 A V G X S+ 0 0 0 -3,-0.5 3,-1.5 -6,-0.3 -1,-0.3 0.158 79.1 114.0-105.6 17.5 -52.8 -4.7 5.8 58 68 A R G X S+ 0 0 169 -3,-1.4 3,-1.5 1,-0.3 4,-0.2 0.909 72.1 59.1 -55.7 -46.3 -54.9 -4.8 2.6 59 69 A K G 3 S+ 0 0 159 -4,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.733 112.4 39.0 -51.3 -28.3 -55.8 -1.2 2.8 60 70 A Y G X> S+ 0 0 19 -3,-1.5 3,-1.4 1,-0.1 4,-0.7 0.179 74.7 113.9-116.2 16.9 -52.2 -0.1 2.7 61 71 A S T <4 S+ 0 0 51 -3,-1.5 3,-0.2 1,-0.3 -1,-0.1 0.739 75.9 57.1 -68.6 -22.8 -50.4 -2.4 0.2 62 72 A R T 34 S+ 0 0 234 -4,-0.2 -1,-0.3 -3,-0.2 4,-0.1 0.678 105.5 53.3 -76.1 -17.7 -49.7 0.4 -2.3 63 73 A Q T <4 S+ 0 0 69 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.610 87.0 96.3 -90.6 -16.1 -47.8 2.2 0.5 64 74 A I S < S- 0 0 10 -4,-0.7 8,-0.1 -3,-0.2 20,-0.1 -0.685 84.0-117.3 -76.9 120.1 -45.6 -0.9 1.2 65 75 A P - 0 0 17 0, 0.0 2,-1.9 0, 0.0 5,-0.2 -0.268 14.5-126.6 -62.0 138.7 -42.3 -0.6 -0.6 66 76 A D S S+ 0 0 132 -4,-0.1 2,-0.3 5,-0.0 48,-0.1 -0.459 73.5 104.3 -86.5 64.8 -41.5 -3.2 -3.3 67 77 A H S > S- 0 0 89 -2,-1.9 3,-2.0 46,-0.1 18,-0.2 -0.995 80.7 -95.0-141.2 144.0 -38.1 -4.2 -1.8 68 78 A K T 3 S+ 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.368 113.8 11.0 -53.4 136.7 -36.8 -7.1 0.2 69 79 A E T 3 S+ 0 0 15 1,-0.2 -1,-0.3 45,-0.1 2,-0.1 0.550 100.5 139.7 67.1 11.4 -36.9 -6.3 4.0 70 80 A G < - 0 0 0 -3,-2.0 15,-2.8 -5,-0.2 16,-0.6 -0.308 27.6-178.8 -79.0 164.8 -38.9 -3.1 3.2 71 81 A Y E -DE 84 113A 0 42,-2.4 42,-2.3 13,-0.3 2,-0.4 -0.989 25.5-134.8-159.9 156.9 -41.9 -1.8 5.2 72 82 A Y E -DE 83 112A 7 11,-3.6 11,-3.0 -2,-0.3 2,-0.4 -0.977 24.7-176.1-113.1 132.5 -44.5 0.9 5.5 73 83 A L E +DE 82 111A 0 38,-2.4 38,-3.5 -2,-0.4 2,-0.4 -0.995 3.1 177.1-130.8 138.6 -45.1 2.5 8.9 74 84 A S E -DE 81 110A 11 7,-2.4 7,-2.5 -2,-0.4 2,-0.4 -1.000 9.5-178.9-143.4 137.2 -47.7 5.1 9.8 75 85 A V E +DE 80 109A 2 34,-2.8 34,-0.6 -2,-0.4 2,-0.3 -0.990 25.3 130.0-135.3 126.3 -48.8 6.9 13.0 76 86 A N - 0 0 48 3,-1.5 -2,-0.0 -2,-0.4 30,-0.0 -0.916 66.2 -66.5-155.8-172.9 -51.7 9.4 13.2 77 87 A E S S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.871 125.2 28.0 -48.3 -49.7 -54.8 10.4 15.1 78 88 A K S S+ 0 0 133 1,-0.2 -32,-0.8 -33,-0.1 2,-0.3 0.761 121.8 7.4 -95.4 -26.1 -57.0 7.5 14.1 79 89 A E E -c 46 0A 16 -34,-0.1 -3,-1.5 2,-0.0 2,-0.4 -0.990 47.0-135.6-157.2 163.0 -54.6 4.5 13.5 80 90 A I E -cD 47 75A 0 -34,-2.1 -32,-2.6 -2,-0.3 2,-0.5 -0.987 22.2-166.1-119.2 126.6 -51.1 2.9 13.6 81 91 A V E +cD 48 74A 1 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.5 -0.970 12.7 176.1-116.7 126.4 -50.0 0.8 10.6 82 92 A L E +cD 49 73A 0 -34,-3.2 -32,-1.7 -2,-0.5 2,-0.5 -0.890 20.4 163.6-125.2 98.5 -47.0 -1.5 10.8 83 93 A A E -cD 50 72A 0 -11,-3.0 -11,-3.6 -2,-0.5 -32,-0.2 -0.934 17.7-164.1-130.2 113.1 -46.8 -3.2 7.4 84 94 A G E -cD 51 71A 0 -34,-1.9 -32,-2.2 -2,-0.5 -13,-0.3 -0.466 27.3-134.2 -90.9 159.3 -43.8 -5.2 5.9 85 95 A N S S- 0 0 29 -15,-2.8 2,-0.2 -34,-0.2 -14,-0.1 0.676 97.6 -3.9 -77.5 -22.3 -43.1 -6.3 2.4 86 96 A D S > S- 0 0 46 -16,-0.6 4,-1.5 -36,-0.1 -56,-0.1 -0.838 96.5 -79.2-150.9-174.1 -42.1 -9.6 3.9 87 97 A E H > S+ 0 0 104 -2,-0.2 4,-1.8 1,-0.2 3,-0.1 0.912 127.4 48.2 -63.7 -45.5 -41.8 -11.0 7.4 88 98 A R H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.916 106.9 58.6 -62.9 -41.2 -38.5 -9.5 8.2 89 99 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.859 104.5 49.7 -56.1 -40.4 -39.7 -6.2 7.0 90 100 A T H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.880 109.6 51.6 -65.4 -40.7 -42.5 -6.1 9.5 91 101 A Y H X S+ 0 0 5 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.946 109.1 50.5 -58.2 -47.4 -40.0 -6.9 12.2 92 102 A Y H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.850 104.6 58.8 -58.6 -36.5 -37.9 -4.0 11.0 93 103 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.925 106.6 48.3 -55.3 -45.8 -41.1 -1.8 11.2 94 104 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.802 103.9 58.2 -68.4 -30.1 -41.3 -2.6 14.8 95 105 A Q H X S+ 0 0 17 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.850 111.7 43.0 -69.8 -32.1 -37.6 -1.8 15.5 96 106 A T H >X S+ 0 0 0 -4,-1.5 4,-1.3 -3,-0.2 3,-0.6 0.912 111.0 55.1 -74.2 -45.4 -38.3 1.7 14.2 97 107 A F H >X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 3,-0.7 0.904 104.2 54.1 -53.8 -45.1 -41.6 1.9 16.1 98 108 A A H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.8 51.0 -60.1 -32.6 -39.8 1.2 19.4 99 109 A Q H << S+ 0 0 55 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.687 108.5 51.8 -76.4 -24.3 -37.4 4.1 18.7 100 110 A L H << S+ 0 0 18 -4,-1.3 2,-0.7 -3,-0.7 -2,-0.2 0.803 89.6 90.6 -78.5 -30.1 -40.3 6.4 18.0 101 111 A L < + 0 0 33 -4,-1.6 2,-0.4 -5,-0.2 5,-0.2 -0.569 53.3 164.9 -78.2 105.8 -42.1 5.6 21.3 102 112 A K B > -F 105 0A 134 3,-2.4 3,-1.6 -2,-0.7 -3,-0.0 -0.986 65.2 -15.5-130.8 123.8 -40.8 8.0 24.0 103 113 A D T 3 S- 0 0 165 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.874 124.9 -56.4 51.4 46.0 -42.5 8.5 27.5 104 114 A G T 3 S+ 0 0 39 1,-0.2 -87,-2.7 -88,-0.1 2,-0.4 0.500 117.6 112.6 71.4 4.3 -45.7 6.8 26.3 105 115 A K E < -AF 16 102A 101 -3,-1.6 -3,-2.4 -89,-0.2 -89,-0.2 -0.898 48.7-162.5-118.0 138.8 -46.0 9.3 23.4 106 116 A L E -A 15 0A 1 -91,-2.9 -91,-2.6 -2,-0.4 2,-0.2 -0.916 18.7-127.5-113.2 141.0 -45.7 8.7 19.7 107 117 A P E -A 14 0A 31 0, 0.0 2,-0.8 0, 0.0 -93,-0.3 -0.609 30.1-109.1 -81.0 152.7 -45.1 11.3 17.0 108 118 A E E + 0 0 17 -95,-2.3 -97,-3.5 -2,-0.2 -96,-0.4 -0.744 62.7 147.9 -77.7 109.5 -47.4 11.5 14.0 109 119 A V E -AE 10 75A 8 -2,-0.8 -34,-2.8 -34,-0.6 2,-0.4 -0.943 41.8-147.1-143.7 164.3 -45.2 10.2 11.2 110 120 A E E -AE 9 74A 62 -101,-2.5 -101,-2.5 -2,-0.3 2,-0.4 -0.990 22.5-173.2-138.3 125.2 -45.2 8.3 7.9 111 121 A I E -AE 8 73A 0 -38,-3.5 -38,-2.4 -2,-0.4 2,-0.5 -0.959 19.6-174.4-128.7 134.7 -42.3 6.1 6.9 112 122 A K E +AE 7 72A 54 -105,-2.0 -105,-1.7 -2,-0.4 2,-0.3 -0.987 30.9 165.5-123.7 119.5 -41.3 4.1 3.8 113 123 A D E + E 0 71A 0 -42,-2.3 -42,-2.4 -2,-0.5 -46,-0.1 -0.896 18.1 145.2-140.4 159.5 -38.1 2.1 4.4 114 124 A Y - 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0 0 32 -3,-2.5 2,-0.6 -4,-0.3 -7,-0.1 -0.354 30.0-172.2 -68.4 118.7 -24.9 8.3 6.6 388 398 A D > - 0 0 85 -2,-0.3 4,-2.1 1,-0.2 5,-0.3 -0.901 5.3-165.8-111.8 101.3 -23.8 10.7 9.2 389 399 A T H > S+ 0 0 32 -2,-0.6 4,-2.4 1,-0.2 -44,-0.3 0.945 84.6 37.3 -50.7 -62.5 -20.5 9.6 10.8 390 400 A W H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 118.1 47.8 -65.3 -43.8 -20.3 11.9 13.8 391 401 A Q H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.821 112.0 51.6 -66.5 -30.1 -24.0 11.9 14.7 392 402 A T H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.930 106.9 52.9 -77.5 -38.5 -24.1 8.1 14.4 393 403 A W H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.913 111.1 46.7 -51.5 -50.3 -21.2 7.7 16.7 394 404 A K H X S+ 0 0 85 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.922 111.7 50.6 -63.9 -44.3 -22.9 9.8 19.4 395 405 A D H X S+ 0 0 37 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.873 109.9 51.3 -59.0 -43.4 -26.2 7.9 18.9 396 406 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.912 111.8 46.2 -59.4 -44.9 -24.3 4.6 19.4 397 407 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.942 113.0 48.5 -66.0 -45.6 -22.7 5.9 22.6 398 408 A R H < S+ 0 0 150 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.805 115.0 47.6 -65.3 -26.7 -26.0 7.2 24.0 399 409 A T H < S+ 0 0 74 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.892 115.5 42.3 -78.0 -46.3 -27.6 3.9 23.1 400 410 A I H < S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.807 134.6 14.9 -72.5 -33.7 -24.9 1.7 24.6 401 411 A L >< + 0 0 0 -4,-2.7 3,-1.4 -5,-0.2 -1,-0.2 -0.427 64.3 163.0-145.5 67.9 -24.4 3.7 27.8 402 412 A P G > S+ 0 0 55 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.896 77.2 58.4 -54.6 -44.4 -27.3 6.2 28.4 403 413 A S G 3 S+ 0 0 72 1,-0.3 -5,-0.1 2,-0.1 3,-0.1 0.690 125.5 17.5 -59.0 -25.5 -26.3 6.7 32.1 404 414 A A G <> S+ 0 0 0 -3,-1.4 4,-2.3 -7,-0.2 -1,-0.3 -0.170 77.9 137.9-142.9 43.1 -22.8 7.9 31.2 405 415 A A H <> S+ 0 0 4 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.914 75.3 50.7 -60.3 -45.4 -22.9 8.9 27.5 406 416 A E H > S+ 0 0 132 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 111.7 49.6 -60.7 -38.9 -20.8 12.1 27.9 407 417 A E H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 111.1 47.5 -66.6 -44.4 -18.2 10.1 29.8 408 418 A L H X S+ 0 0 2 -4,-2.3 4,-3.0 -7,-0.2 -1,-0.2 0.864 111.3 52.5 -64.8 -35.8 -18.0 7.3 27.2 409 419 A E H X S+ 0 0 46 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.927 109.1 48.8 -63.9 -48.3 -17.8 10.0 24.4 410 420 A C H X S+ 0 0 18 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.964 115.8 44.5 -54.3 -53.4 -14.9 11.7 26.2 411 421 A F H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.900 115.2 46.5 -55.5 -48.6 -13.2 8.3 26.6 412 422 A A H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 -70,-0.3 0.851 102.0 64.6 -69.2 -36.0 -13.9 7.2 23.0 413 423 A M H 3< S+ 0 0 30 -4,-2.9 17,-2.3 1,-0.3 3,-0.2 0.811 111.0 39.0 -52.1 -33.1 -12.7 10.5 21.4 414 424 A H T << S+ 0 0 3 -4,-0.9 133,-1.5 -3,-0.6 -1,-0.3 0.197 110.1 61.8-109.7 13.7 -9.2 9.8 22.7 415 425 A N S < S+ 0 0 3 -3,-1.7 -73,-3.1 131,-0.2 -72,-0.2 -0.458 75.9 90.3-132.9 64.8 -9.2 6.1 22.0 416 426 A S + 0 0 6 -75,-0.3 -73,-0.2 -3,-0.2 2,-0.2 0.655 56.7 89.0-130.8 -30.4 -9.6 5.8 18.3 417 427 A D - 0 0 0 1,-0.1 131,-0.2 9,-0.1 -77,-0.1 -0.481 61.7-144.2 -77.0 147.9 -6.2 5.7 16.5 418 428 A L - 0 0 1 -2,-0.2 -80,-0.1 7,-0.1 -1,-0.1 0.687 34.9-134.5 -78.2 -14.7 -4.4 2.5 15.9 419 429 A G - 0 0 3 8,-0.2 -1,-0.1 2,-0.1 6,-0.1 -0.060 55.0 -34.7 63.1 172.6 -0.9 4.0 16.5 420 430 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.266 82.6 161.3 -63.8 143.4 1.8 3.0 13.9 421 431 A N > - 0 0 33 -85,-0.0 3,-2.1 1,-0.0 -85,-0.1 -0.989 52.5 -87.2-163.7 168.9 1.4 -0.6 12.6 422 432 A G T 3 S+ 0 0 81 -87,-0.3 -86,-0.1 -2,-0.3 -1,-0.0 0.505 121.3 45.4 -63.6 -14.0 2.0 -3.3 10.1 423 433 A H T 3 S- 0 0 84 2,-0.1 -1,-0.3 -88,-0.1 -118,-0.1 0.473 101.5-128.9-105.6 -2.2 -0.9 -2.4 7.8 424 434 A G < + 0 0 60 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.685 56.9 150.1 63.5 19.6 -0.2 1.3 7.9 425 435 A Y + 0 0 18 -6,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.724 19.1 174.7 -93.8 130.3 -3.9 1.9 8.8 426 436 A R - 0 0 94 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.877 18.5-159.9-131.8 157.2 -4.7 4.9 10.9 427 437 A R - 0 0 21 -2,-0.3 -8,-0.2 -8,-0.0 -9,-0.1 -0.932 32.3-102.4-131.5 161.1 -7.8 6.8 12.3 428 438 A E - 0 0 64 -2,-0.3 2,-0.3 -12,-0.1 -85,-0.1 -0.367 40.6-175.9 -78.4 162.4 -8.1 10.3 13.6 429 439 A E + 0 0 3 -13,-0.1 -15,-0.2 -2,-0.1 -16,-0.1 -0.974 55.0 8.0-159.3 144.0 -8.1 11.0 17.4 430 440 A S >> + 0 0 0 -17,-2.3 4,-1.3 -2,-0.3 3,-0.6 0.767 66.6 156.0 56.6 29.4 -8.6 14.0 19.8 431 441 A M T 34 + 0 0 98 -18,-0.2 3,-0.2 1,-0.2 -1,-0.1 0.829 63.5 65.3 -54.2 -37.8 -9.6 16.3 16.9 432 442 A D T 34 S+ 0 0 97 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.898 115.6 25.0 -52.1 -49.3 -11.5 18.5 19.3 433 443 A I T <> S+ 0 0 11 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.490 94.4 101.3-100.2 -1.9 -8.4 19.6 21.3 434 444 A Q H X S+ 0 0 69 -4,-1.3 4,-2.9 1,-0.2 5,-0.2 0.871 82.7 47.4 -51.3 -44.3 -5.8 19.1 18.5 435 445 A P H > S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.934 113.0 48.6 -67.7 -42.4 -5.4 22.8 17.5 436 446 A A H > S+ 0 0 6 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.883 113.9 48.1 -56.4 -44.4 -5.1 23.9 21.1 437 447 A A H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.983 111.8 48.6 -57.9 -60.0 -2.5 21.2 21.6 438 448 A E H X S+ 0 0 115 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.837 113.0 47.3 -50.4 -45.1 -0.5 22.1 18.4 439 449 A R H X S+ 0 0 128 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.970 111.8 49.0 -62.7 -55.6 -0.5 25.9 19.3 440 450 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.911 113.3 48.3 -49.1 -48.9 0.7 25.3 22.9 441 451 A L H X S+ 0 0 20 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.892 112.1 48.2 -62.9 -43.1 3.4 23.0 21.7 442 452 A K H < S+ 0 0 145 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.931 118.8 39.4 -61.8 -46.8 4.7 25.4 19.0 443 453 A A H ><>S+ 0 0 16 -4,-2.7 3,-2.1 1,-0.2 5,-1.0 0.985 114.5 48.3 -71.2 -63.2 4.7 28.4 21.3 444 454 A F H ><5S+ 0 0 21 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.824 102.2 66.1 -43.1 -43.9 6.1 26.9 24.5 445 455 A K T 3<5S+ 0 0 98 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.638 105.3 43.0 -59.7 -19.3 8.9 25.2 22.6 446 456 A E T < 5S- 0 0 118 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.021 113.1-110.1-117.4 25.4 10.5 28.5 21.7 447 457 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.494 79.7 134.7 57.8 -1.0 10.2 30.3 25.1 448 458 A K S - 0 0 94 -2,-0.2 4,-1.5 1,-0.1 3,-0.2 -0.482 23.6-139.8 -68.1 137.4 -1.9 31.4 24.8 452 462 A K H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.878 102.7 57.9 -62.7 -37.9 -3.6 31.3 28.2 453 463 A A H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.791 105.1 48.8 -64.4 -34.2 -6.8 30.0 26.6 454 464 A D H > S+ 0 0 8 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.828 108.9 52.8 -75.6 -36.2 -5.0 26.9 25.2 455 465 A F H X S+ 0 0 10 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.942 111.4 48.3 -56.2 -48.7 -3.4 26.2 28.6 456 466 A E H X S+ 0 0 87 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.878 107.3 54.6 -65.1 -38.0 -7.0 26.3 30.0 457 467 A T H X S+ 0 0 50 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.898 111.3 45.8 -57.9 -42.6 -8.3 24.0 27.2 458 468 A L H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.926 112.4 48.6 -70.3 -48.1 -5.7 21.4 28.1 459 469 A Q H X S+ 0 0 74 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.943 112.4 51.3 -48.8 -52.0 -6.3 21.7 31.9 460 470 A Y H X S+ 0 0 146 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.872 109.1 50.4 -55.5 -44.3 -10.0 21.4 31.1 461 471 A T H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.958 110.8 47.2 -60.8 -53.8 -9.4 18.3 29.1 462 472 A F H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.894 112.3 50.5 -56.7 -43.4 -7.4 16.5 31.7 463 473 A E H X S+ 0 0 106 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.936 112.8 46.8 -61.2 -44.4 -9.9 17.4 34.5 464 474 A R H X S+ 0 0 47 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.846 107.7 56.3 -68.1 -36.5 -12.7 16.0 32.3 465 475 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.858 107.0 49.3 -62.4 -38.7 -10.8 12.9 31.5 466 476 A K H X S+ 0 0 60 -4,-1.7 4,-2.5 -3,-0.2 5,-0.2 0.907 112.4 47.2 -68.7 -44.5 -10.4 12.0 35.2 467 477 A E H X S+ 0 0 79 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.919 113.9 47.9 -60.1 -45.0 -14.1 12.5 35.9 468 478 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.944 112.2 49.8 -62.6 -47.0 -15.0 10.5 32.8 469 479 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.893 113.0 45.0 -57.7 -45.4 -12.6 7.7 33.9 470 480 A D H X S+ 0 0 63 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.861 113.7 48.9 -72.3 -36.0 -13.8 7.5 37.5 471 481 A I H < S+ 0 0 76 -4,-2.3 4,-0.5 -5,-0.2 3,-0.5 0.930 111.1 51.6 -65.1 -43.2 -17.5 7.5 36.5 472 482 A L H >< S+ 0 0 0 -4,-2.6 3,-1.0 -5,-0.2 -2,-0.2 0.882 104.2 56.3 -63.0 -39.4 -16.9 4.8 33.9 473 483 A L H 3< S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 113.7 40.1 -59.2 -34.5 -15.1 2.5 36.4 474 484 A M T 3< S+ 0 0 146 -4,-1.0 -1,-0.2 -3,-0.5 2,-0.2 0.381 85.4 122.8-102.4 4.9 -18.1 2.5 38.7 475 485 A N < - 0 0 19 -3,-1.0 7,-0.1 -4,-0.5 -3,-0.0 -0.472 33.5-179.8 -74.2 130.5 -20.8 2.3 36.0 476 486 A T + 0 0 101 -2,-0.2 3,-0.5 1,-0.1 -1,-0.1 0.333 59.9 89.0-115.1 9.0 -23.2 -0.7 36.4 477 487 A E S S+ 0 0 102 1,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.826 107.7 18.1 -73.3 -32.9 -25.6 -0.2 33.5 478 488 A N S > S+ 0 0 24 1,-0.1 4,-2.0 -77,-0.1 3,-0.3 -0.591 71.3 171.1-138.2 78.6 -23.3 -2.2 31.2 479 489 A K H > S+ 0 0 133 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 0.873 76.8 57.6 -58.7 -43.4 -20.9 -4.3 33.3 480 490 A P H > S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.915 107.7 49.1 -54.0 -44.9 -19.6 -6.3 30.4 481 491 A L H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.949 111.1 48.8 -56.3 -50.7 -18.5 -3.1 28.6 482 492 A I H X S+ 0 0 9 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.919 108.0 54.2 -61.7 -42.0 -16.8 -1.8 31.7 483 493 A V H < S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 109.2 49.8 -56.4 -42.4 -14.9 -5.1 32.3 484 494 A E H < S+ 0 0 37 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.935 118.7 35.5 -61.0 -46.4 -13.5 -4.9 28.7 485 495 A I H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.6 0.513 85.9 102.2 -92.6 -4.7 -12.3 -1.3 29.0 486 496 A T H 3X S+ 0 0 38 -4,-1.6 4,-2.3 1,-0.3 5,-0.2 0.876 80.2 50.6 -51.9 -49.6 -11.1 -1.1 32.6 487 497 A P H 3> S+ 0 0 29 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.894 114.7 44.8 -55.3 -41.2 -7.4 -1.5 31.9 488 498 A W H <> S+ 0 0 5 -3,-0.6 4,-2.9 -4,-0.2 -2,-0.2 0.863 110.1 55.1 -69.4 -36.2 -7.5 1.4 29.4 489 499 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.895 108.7 48.2 -63.6 -39.9 -9.7 3.5 31.7 490 500 A H H X S+ 0 0 83 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.889 114.8 45.3 -64.4 -41.4 -7.0 3.2 34.4 491 501 A Q H X S+ 0 0 8 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.852 111.4 52.9 -72.0 -34.7 -4.3 4.1 31.9 492 502 A F H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.870 110.4 48.0 -68.9 -40.7 -6.4 7.0 30.5 493 503 A K H X S+ 0 0 58 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.938 110.2 50.8 -62.5 -48.9 -6.9 8.4 34.0 494 504 A L H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.893 108.9 53.3 -57.3 -38.6 -3.2 8.1 34.7 495 505 A T H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.920 107.5 50.6 -60.2 -44.8 -2.6 9.9 31.4 496 506 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.891 111.6 48.0 -63.3 -38.3 -4.9 12.8 32.6 497 507 A E H X S+ 0 0 54 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.907 108.8 52.5 -67.5 -46.6 -3.0 13.0 35.9 498 508 A M H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.946 109.5 50.8 -52.4 -46.9 0.4 13.1 34.3 499 509 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.856 109.1 50.4 -62.7 -40.5 -0.9 15.9 32.1 500 510 A E H X S+ 0 0 28 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.847 112.2 46.4 -62.1 -41.3 -2.1 17.9 35.1 501 511 A E H X S+ 0 0 14 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.894 111.0 52.1 -72.8 -39.7 1.2 17.6 36.9 502 512 A V H X S+ 0 0 2 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.886 107.9 52.6 -61.6 -36.3 3.2 18.5 33.8 503 513 A L H X S+ 0 0 4 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.840 105.9 53.2 -73.7 -26.6 1.0 21.6 33.4 504 514 A K H < S+ 0 0 60 -4,-1.3 5,-0.3 2,-0.2 -1,-0.2 0.806 106.2 54.6 -71.2 -29.3 1.8 22.5 37.0 505 515 A M H >< S+ 0 0 2 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.890 105.0 53.1 -66.6 -38.6 5.5 22.1 36.0 506 516 A V H 3< S+ 0 0 22 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.897 108.1 49.1 -60.5 -41.3 4.9 24.6 33.2 507 517 A E T 3< S- 0 0 75 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.1 0.051 90.3-178.4 -82.4 25.9 3.5 27.1 35.7 508 518 A G < - 0 0 39 -3,-1.3 -3,-0.1 1,-0.1 3,-0.1 0.045 13.0-174.8 -43.1 114.4 6.5 26.4 37.8 509 519 A R - 0 0 158 1,-0.3 2,-0.3 -5,-0.3 -1,-0.1 0.943 61.6 -24.2 -76.7 -50.5 6.1 28.5 40.9 510 520 A N S > S- 0 0 90 1,-0.0 4,-2.0 0, 0.0 -1,-0.3 -0.913 70.3 -89.8-157.4 174.7 9.5 27.8 42.6 511 521 A E H > S+ 0 0 97 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.835 118.6 48.8 -67.3 -38.3 12.3 25.2 42.6 512 522 A S H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.991 112.4 46.1 -66.6 -60.5 10.9 23.0 45.4 513 523 A Y H > S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.861 109.9 56.5 -50.3 -43.2 7.4 22.7 44.1 514 524 A F H X S+ 0 0 10 -4,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.926 106.4 48.5 -54.7 -49.3 8.7 21.9 40.6 515 525 A L H X S+ 0 0 54 -4,-1.7 4,-2.6 -3,-0.5 -1,-0.2 0.857 108.2 54.9 -66.0 -36.8 10.8 19.0 41.9 516 526 A R H X S+ 0 0 150 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.937 112.0 44.0 -54.6 -50.3 7.7 17.6 43.7 517 527 A K H X S+ 0 0 20 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.901 112.2 53.0 -62.0 -43.4 5.7 17.7 40.4 518 528 A Y H X S+ 0 0 21 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.894 109.9 47.6 -61.1 -43.7 8.7 16.2 38.6 519 529 A N H X S+ 0 0 103 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.847 110.1 52.8 -66.7 -33.7 8.9 13.3 41.0 520 530 A H H X S+ 0 0 75 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.917 107.5 51.2 -68.4 -42.7 5.1 12.7 40.8 521 531 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.918 109.5 50.1 -59.2 -45.0 5.3 12.6 37.0 522 532 A K H X S+ 0 0 42 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.916 112.0 48.0 -59.3 -43.9 8.1 9.9 37.1 523 533 A A H X S+ 0 0 56 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.886 112.4 49.2 -62.1 -39.0 6.0 7.9 39.6 524 534 A L H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.899 108.0 53.3 -70.1 -40.7 3.0 8.3 37.3 525 535 A Q H X S+ 0 0 12 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.940 108.0 51.9 -53.8 -49.2 5.1 7.2 34.3 526 536 A Q H X S+ 0 0 131 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.827 105.9 52.9 -63.8 -33.5 6.1 4.1 36.2 527 537 A Q H X S+ 0 0 107 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.889 108.5 51.8 -65.6 -39.0 2.5 3.2 37.0 528 538 A M H X S+ 0 0 17 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.900 109.9 48.8 -61.2 -41.2 1.7 3.4 33.3 529 539 A F H X S+ 0 0 76 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.920 108.1 54.5 -65.4 -42.5 4.6 1.0 32.6 530 540 A Y H X S+ 0 0 157 -4,-2.4 4,-1.3 2,-0.2 5,-0.2 0.924 110.6 45.3 -55.7 -48.4 3.3 -1.4 35.3 531 541 A I H X S+ 0 0 18 -4,-2.2 4,-3.1 1,-0.2 3,-0.3 0.911 112.4 52.0 -62.5 -42.5 -0.2 -1.5 33.7 532 542 A D H < S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.791 113.8 43.4 -64.4 -30.9 1.4 -2.0 30.3 533 543 A Q H < S+ 0 0 129 -4,-2.2 -1,-0.2 -3,-0.1 -2,-0.2 0.655 125.6 32.4 -84.2 -19.1 3.6 -4.9 31.6 534 544 A T H < S+ 0 0 73 -4,-1.3 3,-0.4 -3,-0.3 2,-0.3 0.715 104.9 65.5-117.6 -30.3 0.7 -6.6 33.5 535 545 A S S < S+ 0 0 36 -4,-3.1 8,-0.4 -5,-0.2 -1,-0.0 -0.722 105.7 8.1 -91.5 153.0 -2.7 -6.0 31.8 536 546 A N S S- 0 0 40 -2,-0.3 7,-2.7 1,-0.2 2,-0.4 0.911 78.0-175.3 50.9 49.1 -3.7 -7.4 28.4 537 547 A Q + 0 0 95 -3,-0.4 -1,-0.2 5,-0.3 -4,-0.1 -0.638 14.6 152.6 -77.6 131.9 -0.6 -9.6 28.0 538 548 A N - 0 0 20 -2,-0.4 0, 0.0 -410,-0.0 0, 0.0 -0.964 54.4-110.8-155.6 151.8 -0.5 -11.2 24.6 539 549 A P S S+ 0 0 113 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.683 109.8 41.8 -61.7 -14.9 2.4 -12.5 22.4 540 550 A Y S S- 0 0 147 1,-0.1 -205,-0.0 -206,-0.0 -3,-0.0 0.918 132.7 -3.6-107.5 -58.6 1.9 -9.8 19.8 541 551 A Q S S- 0 0 53 -5,-0.1 -1,-0.1 -207,-0.1 -205,-0.1 -0.619 77.9-169.1-135.8 78.2 1.1 -6.3 21.2 542 552 A P + 0 0 51 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.354 41.2 22.3 -70.8 147.5 0.9 -6.8 25.0 543 553 A G S S- 0 0 0 -7,-2.7 2,-0.4 -8,-0.4 -11,-0.2 -0.572 83.2 -58.9 108.3-162.5 -0.4 -4.0 27.2 544 554 A V + 0 0 0 -16,-0.2 2,-0.4 -2,-0.2 -205,-0.2 -0.949 37.5 176.3-141.3 110.6 -2.5 -0.9 27.3 545 555 A K + 0 0 67 -207,-3.2 -205,-0.4 -2,-0.4 2,-0.3 -0.917 9.6 169.5-117.3 144.1 -2.1 2.3 25.3 546 556 A T + 0 0 8 -2,-0.4 -131,-0.2 -55,-0.1 6,-0.1 -0.978 58.6 14.1-150.1 156.0 -4.4 5.2 25.3 547 557 A A S >S+ 0 0 0 -133,-1.5 5,-2.6 -2,-0.3 -132,-0.1 0.847 78.1 149.0 46.8 39.2 -4.7 8.9 24.1 548 558 A T T 5 + 0 0 36 -134,-0.3 -1,-0.1 3,-0.2 -133,-0.1 0.721 50.7 58.5 -82.2 -24.7 -1.6 8.0 21.9 549 559 A R T 5S- 0 0 87 -135,-0.2 -1,-0.2 3,-0.1 -135,-0.0 0.944 127.9 -11.2 -72.9 -49.7 -2.2 10.3 18.9 550 560 A V T >5S+ 0 0 10 3,-0.1 4,-1.8 -136,-0.1 -2,-0.1 0.732 128.2 52.2-119.5 -49.4 -2.2 13.8 20.3 551 561 A I H >5S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -3,-0.2 0.889 108.4 43.6 -74.5 -46.5 -2.5 13.8 24.1 552 562 A K H > S+ 0 0 38 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.914 110.3 53.9 -60.6 -37.5 2.9 13.0 22.8 554 564 A L H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.941 113.0 42.6 -58.3 -46.6 1.8 16.5 24.0 555 565 A I H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.923 113.4 51.0 -66.5 -47.6 2.5 15.5 27.6 556 566 A D H X S+ 0 0 34 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.925 116.1 41.8 -56.5 -43.3 5.8 13.7 26.8 557 567 A R H X S+ 0 0 124 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.923 111.9 51.4 -76.3 -44.1 7.1 16.8 24.9 558 568 A T H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.895 114.5 47.8 -53.0 -40.9 5.9 19.4 27.3 559 569 A F H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.923 111.9 47.1 -68.8 -46.0 7.6 17.4 30.0 560 570 A A H X S+ 0 0 34 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.947 116.0 46.4 -60.2 -46.1 10.8 17.0 28.0 561 571 A T H X S+ 0 0 21 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.900 111.1 49.2 -61.1 -49.8 10.8 20.7 27.2 562 572 A V H X S+ 0 0 9 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.795 111.0 50.8 -65.8 -30.2 10.0 22.0 30.7 563 573 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.891 107.0 54.9 -73.7 -40.2 12.8 19.8 32.2 564 574 A K H X S+ 0 0 129 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.930 107.5 49.1 -53.8 -51.8 15.3 21.1 29.7 565 575 A F H X S+ 0 0 69 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.838 112.1 49.8 -59.6 -35.2 14.6 24.7 30.7 566 576 A F H X S+ 0 0 13 -4,-1.2 4,-2.2 2,-0.2 6,-0.6 0.858 107.7 51.7 -73.6 -39.6 15.0 23.7 34.4 567 577 A N H X>S+ 0 0 36 -4,-2.4 5,-0.6 1,-0.2 4,-0.6 0.913 113.8 46.6 -61.8 -40.9 18.3 22.0 33.8 568 578 A Q H <5S+ 0 0 140 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.908 115.2 44.4 -63.1 -47.4 19.5 25.2 32.0 569 579 A K H <5S+ 0 0 167 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.849 126.7 26.7 -74.2 -36.7 18.2 27.6 34.7 570 580 A F H <5S- 0 0 85 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.193 103.0-117.3-113.1 13.5 19.4 25.8 37.9 571 581 A N T <5 + 0 0 135 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.2 0.770 65.9 149.2 56.5 30.1 22.4 23.9 36.3 572 582 A A < - 0 0 25 -5,-0.6 -1,-0.2 -6,-0.6 -2,-0.0 -0.298 49.8-143.9 -90.2 172.8 20.7 20.6 37.1 573 583 A H + 0 0 169 -3,-0.1 2,-0.2 -2,-0.1 -9,-0.1 -0.356 34.1 163.5-132.9 53.8 20.8 17.2 35.4 574 584 A L - 0 0 36 -11,-0.2 2,-0.2 1,-0.1 -7,-0.1 -0.515 48.4-102.5 -69.8 136.5 17.2 15.9 35.8 575 585 A D - 0 0 84 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.442 33.5-170.3 -61.1 129.0 16.3 13.1 33.6 576 586 A A + 0 0 33 -2,-0.2 2,-0.2 -13,-0.1 -1,-0.1 0.225 46.5 108.3-108.4 10.2 14.1 14.4 30.7 577 587 A T - 0 0 75 1,-0.1 -2,-0.0 -18,-0.0 0, 0.0 -0.528 43.9-171.8 -96.1 161.7 12.9 11.1 29.2 578 588 A T 0 0 34 -2,-0.2 -1,-0.1 -53,-0.0 -21,-0.0 0.363 360.0 360.0-123.6 -7.9 9.6 9.5 29.2 579 589 A D 0 0 168 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.657 360.0 360.0 -67.1 360.0 10.8 6.2 27.7