==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-12 4AIS . COMPND 2 MOLECULE: O-GLCNACASE BT_4395; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR Y.HE,G.J.DAVIES . 1278 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 869 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.2 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 . 67 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 433 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 2 1 3 4 3 4 0 5 0 0 2 0 0 2 0 2 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 1 4 0 11 2 3 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 1 4 3 5 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 1 1 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 4 A S 0 0 101 0, 0.0 102,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 50.5 -14.5 14.8 -0.4 2 5 A L - 0 0 19 1,-0.0 97,-0.1 2,-0.0 101,-0.0 -0.217 360.0-132.7 -69.7 132.6 -11.3 14.9 1.7 3 6 A Q S S+ 0 0 11 1,-0.2 379,-0.1 2,-0.1 99,-0.1 -0.995 97.3 27.9-130.3 124.1 -8.9 11.9 1.9 4 7 A P S S- 0 0 1 0, 0.0 -1,-0.2 0, 0.0 378,-0.1 0.678 105.4-124.0 -65.3 155.1 -7.9 11.1 4.6 5 8 A P - 0 0 21 0, 0.0 384,-0.2 0, 0.0 -2,-0.1 -0.512 31.4-113.5 -67.0 128.6 -11.1 12.4 6.3 6 9 A P - 0 0 4 0, 0.0 3,-0.2 0, 0.0 110,-0.2 -0.152 13.7-118.8 -63.2 161.8 -10.2 15.0 9.0 7 10 A Q S S+ 0 0 43 1,-0.3 2,-0.4 108,-0.1 109,-0.2 0.917 100.8 14.8 -61.5 -40.9 -10.8 14.4 12.7 8 11 A Q E +A 115 0A 81 107,-1.8 107,-1.4 2,-0.0 2,-0.4 -0.999 68.9 173.7-144.3 132.4 -13.1 17.4 12.9 9 12 A L E -A 114 0A 73 -2,-0.4 2,-0.5 105,-0.2 105,-0.2 -0.992 9.2-177.2-143.5 133.3 -14.8 19.2 10.1 10 13 A I E -A 113 0A 76 103,-2.0 103,-2.1 -2,-0.4 2,-0.4 -0.976 15.3-164.9-131.6 114.0 -17.4 22.0 10.2 11 14 A V E -A 112 0A 81 -2,-0.5 2,-0.4 101,-0.2 101,-0.3 -0.849 9.3-153.7-105.7 136.1 -18.6 23.2 6.8 12 15 A Q E -A 111 0A 99 99,-3.5 99,-0.8 -2,-0.4 -2,-0.0 -0.920 26.3-124.2-103.1 137.1 -20.5 26.4 6.2 13 16 A N E S+ 0 0 166 -2,-0.4 2,-0.1 97,-0.1 99,-0.1 0.396 82.7 93.3 -71.2 6.6 -22.7 26.3 3.1 14 17 A K E - 0 0 126 97,-0.1 97,-1.6 0, 0.0 2,-0.3 -0.441 62.2-147.6 -84.7 165.3 -21.0 29.4 1.6 15 18 A T E -A 110 0A 99 95,-0.2 2,-0.3 -2,-0.1 -2,-0.0 -0.942 6.8-158.8-130.7 160.5 -18.1 29.4 -0.9 16 19 A I E -A 109 0A 18 93,-3.2 93,-2.4 -2,-0.3 2,-0.4 -0.800 20.6-113.9-132.1 164.9 -15.3 31.9 -1.3 17 20 A D E -A 108 0A 102 -2,-0.3 91,-0.2 91,-0.2 90,-0.1 -0.886 33.5-104.5-109.7 139.2 -13.0 32.6 -4.2 18 21 A L - 0 0 14 89,-2.4 2,-0.1 -2,-0.4 3,-0.0 -0.469 52.1-108.9 -58.1 119.2 -9.2 32.0 -4.1 19 22 A P - 0 0 11 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.340 34.1-176.6 -66.8 126.9 -7.9 35.5 -3.7 20 23 A A S S+ 0 0 67 1,-0.2 2,-0.6 25,-0.2 -2,-0.1 0.700 91.6 51.3 -79.9 -28.8 -6.1 37.1 -6.7 21 24 A V S S+ 0 0 102 24,-0.1 27,-1.4 -3,-0.0 2,-0.3 -0.966 86.2 146.5-106.7 114.0 -5.6 40.0 -4.2 22 25 A Y E -b 48 0A 67 -2,-0.6 2,-0.5 25,-0.3 26,-0.2 -0.997 43.2-137.3-153.6 147.4 -4.1 38.5 -1.0 23 26 A Q E -b 49 0A 114 25,-4.4 27,-2.7 24,-0.3 2,-0.4 -0.908 22.0-148.0-108.3 128.7 -1.7 39.2 1.8 24 27 A L E -b 50 0A 49 -2,-0.5 2,-0.4 25,-0.2 27,-0.2 -0.848 14.9-175.1-104.7 136.3 0.6 36.5 2.9 25 28 A N E +b 51 0A 53 25,-2.3 27,-2.2 -2,-0.4 -2,-0.0 -0.988 65.3 14.5-138.7 116.9 1.7 36.2 6.5 26 29 A G S >> S+ 0 0 10 -2,-0.4 4,-1.7 25,-0.2 3,-0.9 0.433 78.4 132.8 94.6 2.4 4.2 33.8 8.0 27 30 A G T 34 S+ 0 0 17 1,-0.2 3,-0.2 2,-0.2 8,-0.1 0.882 70.0 48.4 -52.3 -47.4 5.6 32.9 4.6 28 31 A E T 34 S+ 0 0 167 1,-0.2 -1,-0.2 7,-0.0 25,-0.1 0.720 119.1 36.8 -67.5 -21.8 9.2 33.3 5.7 29 32 A E T <4 S+ 0 0 122 -3,-0.9 25,-0.2 23,-0.2 -2,-0.2 0.494 93.7 93.4-119.8 -9.9 9.0 31.2 8.9 30 33 A A S < S- 0 0 5 -4,-1.7 60,-0.1 -3,-0.2 5,-0.1 -0.381 98.3 -65.8 -74.1 161.7 6.6 28.3 8.1 31 34 A N > - 0 0 2 1,-0.2 4,-1.9 58,-0.1 3,-0.4 -0.301 47.3-140.9 -39.9 115.9 7.7 24.9 6.9 32 35 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.842 100.5 60.6 -60.2 -30.5 9.2 25.7 3.5 33 36 A H H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.935 107.9 44.9 -60.7 -40.2 7.7 22.5 2.0 34 37 A A H > S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.892 111.2 52.5 -67.5 -41.6 4.2 23.8 2.9 35 38 A V H X S+ 0 0 11 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.896 104.8 55.6 -61.7 -44.4 4.9 27.4 1.5 36 39 A K H X S+ 0 0 125 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.944 109.8 46.2 -53.6 -53.6 6.1 26.0 -1.9 37 40 A V H X S+ 0 0 21 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.885 111.4 51.8 -55.5 -47.7 2.8 24.2 -2.3 38 41 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.938 110.8 48.7 -54.7 -48.5 0.7 27.2 -1.2 39 42 A K H < S+ 0 0 109 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.764 108.5 52.4 -65.0 -30.7 2.6 29.3 -3.8 40 43 A E H >< S+ 0 0 121 -4,-1.8 3,-0.8 -5,-0.2 -1,-0.2 0.855 112.1 47.4 -68.7 -36.0 2.0 26.8 -6.6 41 44 A L H 3< S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.765 114.4 45.1 -75.8 -30.2 -1.7 26.9 -5.7 42 45 A L T 3< S+ 0 0 2 -4,-1.6 3,-0.5 -5,-0.2 -1,-0.2 0.117 87.0 161.0 -95.8 13.4 -1.7 30.8 -5.7 43 46 A S < - 0 0 89 -3,-0.8 -3,-0.1 1,-0.2 -4,-0.0 -0.032 65.9 -3.1 -44.4 135.0 0.4 30.8 -8.9 44 47 A G 0 0 84 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.0 0.899 360.0 360.0 41.2 64.2 0.2 34.1 -10.8 45 48 A K 0 0 103 -3,-0.5 -25,-0.2 -23,-0.0 -1,-0.2 -0.927 360.0 360.0-146.8 360.0 -2.2 35.8 -8.4 46 ! 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 47 54 A G 0 0 67 0, 0.0 -25,-0.3 0, 0.0 -24,-0.3 0.000 360.0 360.0 360.0 124.2 -5.9 41.9 -0.1 48 55 A M E -b 22 0A 27 -27,-1.4 -25,-4.4 -26,-0.2 2,-0.4 0.069 360.0-112.9 -43.4 141.1 -7.2 38.8 1.7 49 56 A L E -bc 23 82A 50 32,-1.6 34,-2.9 -27,-0.2 2,-0.4 -0.640 30.8-179.5 -86.2 129.6 -5.3 37.5 4.6 50 57 A I E -bc 24 83A 0 -27,-2.7 -25,-2.3 -2,-0.4 2,-0.5 -0.978 6.7-171.4-124.8 116.1 -3.5 34.2 4.5 51 58 A S E +bc 25 84A 3 32,-2.5 34,-2.3 -2,-0.4 2,-0.3 -0.932 7.9 173.2-113.0 128.6 -1.6 33.1 7.6 52 59 A I E + c 0 85A 0 -27,-2.2 2,-0.3 -2,-0.5 34,-0.2 -0.974 21.0 105.6-134.5 138.0 0.6 30.1 7.5 53 60 A G E - c 0 86A 0 32,-1.7 34,-1.7 -2,-0.3 2,-0.3 -0.917 58.9 -85.4 169.0 172.1 2.9 28.9 10.3 54 61 A E E > - c 0 87A 13 -2,-0.3 3,-3.2 32,-0.2 6,-0.2 -0.791 62.4 -79.3 -97.2 146.0 3.7 26.4 13.0 55 62 A K T 3 S+ 0 0 88 32,-2.5 -1,-0.1 -2,-0.3 3,-0.1 -0.165 125.0 37.4 -38.0 119.8 2.4 26.8 16.6 56 63 A G T 3 S+ 0 0 74 1,-0.5 -1,-0.3 -3,-0.0 2,-0.1 0.051 87.6 118.1 115.0 -25.1 4.8 29.4 18.0 57 64 A D S X S- 0 0 35 -3,-3.2 3,-1.0 1,-0.1 -1,-0.5 -0.486 71.7-125.5 -72.0 148.1 5.2 31.4 14.9 58 65 A K G > S+ 0 0 159 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.854 105.6 65.5 -58.8 -40.4 4.0 35.1 15.2 59 66 A S G 3 S+ 0 0 17 1,-0.3 -1,-0.2 -7,-0.2 3,-0.2 0.725 109.5 33.8 -55.8 -32.7 1.7 34.6 12.2 60 67 A V G X> S+ 0 0 1 -3,-1.0 3,-1.6 -6,-0.2 4,-0.6 0.112 78.3 115.8-118.6 16.1 -0.6 32.1 13.9 61 68 A R G X4 S+ 0 0 167 -3,-1.3 3,-1.2 1,-0.3 4,-0.2 0.885 72.8 62.3 -48.7 -45.5 -0.5 33.4 17.5 62 69 A K G 34 S+ 0 0 159 -4,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.717 110.1 38.7 -54.7 -25.5 -4.3 34.1 17.3 63 70 A Y G X> S+ 0 0 16 -3,-1.6 3,-2.3 1,-0.1 4,-1.5 0.365 72.9 117.5-114.4 3.8 -5.1 30.4 16.7 64 71 A S T << S+ 0 0 45 -3,-1.2 -1,-0.1 -4,-0.6 -2,-0.1 0.721 79.9 52.1 -43.8 -29.7 -2.7 28.6 19.1 65 72 A R T 34 S+ 0 0 234 -4,-0.2 -1,-0.3 -3,-0.2 4,-0.1 0.744 107.8 50.5 -87.8 -18.9 -5.7 27.2 21.0 66 73 A Q T <4 S+ 0 0 69 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.755 86.5 96.0 -85.4 -23.7 -7.4 25.9 17.9 67 74 A I S < S- 0 0 7 -4,-1.5 8,-0.1 8,-0.1 20,-0.1 -0.516 86.8-114.2 -63.7 121.8 -4.2 24.0 16.7 68 75 A P - 0 0 16 0, 0.0 2,-2.0 0, 0.0 5,-0.2 -0.331 16.4-124.0 -66.5 143.4 -4.6 20.4 17.9 69 76 A D S S+ 0 0 133 -4,-0.1 2,-0.3 3,-0.1 48,-0.1 -0.432 74.8 103.9 -87.7 66.1 -2.0 19.3 20.5 70 77 A H S > S- 0 0 84 -2,-2.0 3,-2.3 46,-0.1 18,-0.2 -0.993 82.1 -92.4-142.6 142.4 -0.8 16.2 18.4 71 78 A K T 3 S+ 0 0 142 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.383 116.4 10.5 -47.5 127.0 2.3 15.4 16.3 72 79 A E T 3 S+ 0 0 4 1,-0.2 -1,-0.3 45,-0.1 23,-0.1 0.453 98.0 143.2 73.4 8.0 1.4 16.3 12.7 73 80 A G < - 0 0 0 -3,-2.3 15,-2.2 -5,-0.2 16,-0.7 -0.266 25.0-178.9 -68.5 156.7 -1.8 18.1 13.8 74 81 A Y E -DE 87 116A 0 42,-2.0 42,-2.1 13,-0.3 2,-0.4 -0.984 24.7-138.1-151.0 158.1 -3.0 21.3 12.1 75 82 A Y E -DE 86 115A 7 11,-3.1 11,-2.9 -2,-0.3 2,-0.4 -0.965 25.2-175.1-108.8 135.5 -5.8 23.8 12.3 76 83 A L E +DE 85 114A 0 38,-2.9 38,-3.4 -2,-0.4 2,-0.3 -1.000 7.0 167.9-131.6 140.9 -7.3 25.0 9.0 77 84 A S E -DE 84 113A 10 7,-2.2 7,-2.8 -2,-0.4 2,-0.4 -0.996 12.6-170.3-151.7 142.9 -10.0 27.7 8.3 78 85 A V E +DE 83 112A 4 34,-1.8 34,-0.6 -2,-0.3 2,-0.3 -0.980 20.3 147.3-135.2 125.9 -11.4 29.6 5.3 79 86 A N - 0 0 37 3,-1.9 -2,-0.0 -2,-0.4 -63,-0.0 -0.910 61.7 -85.9-142.7 177.6 -13.7 32.6 5.4 80 87 A E S S+ 0 0 123 -2,-0.3 -63,-0.1 1,-0.2 3,-0.1 0.846 126.5 34.6 -49.5 -38.2 -14.5 35.8 3.4 81 88 A K S S+ 0 0 136 1,-0.2 -32,-1.6 -33,-0.1 2,-0.3 0.888 122.7 12.8 -91.6 -43.4 -11.8 37.7 5.4 82 89 A E E -c 49 0A 13 -34,-0.2 -3,-1.9 -32,-0.0 2,-0.5 -0.975 46.2-147.2-144.0 158.5 -9.0 35.2 6.0 83 90 A I E -cD 50 78A 0 -34,-2.9 -32,-2.5 -2,-0.3 2,-0.4 -0.969 22.5-162.6-114.4 127.3 -7.4 31.8 5.3 84 91 A V E +cD 51 77A 1 -7,-2.8 -7,-2.2 -2,-0.5 2,-0.3 -0.944 15.7 172.9-117.6 133.4 -5.6 30.0 8.2 85 92 A L E +cD 52 76A 0 -34,-2.3 -32,-1.7 -2,-0.4 2,-0.5 -0.839 17.9 160.8-137.1 94.9 -3.1 27.1 7.8 86 93 A A E -cD 53 75A 0 -11,-2.9 -11,-3.1 -2,-0.3 2,-0.3 -0.953 19.5-162.4-133.2 116.7 -1.4 26.3 11.1 87 94 A G E -cD 54 74A 0 -34,-1.7 -32,-2.5 -2,-0.5 -13,-0.3 -0.746 28.4-133.8-100.8 143.4 0.4 23.1 12.1 88 95 A N S S- 0 0 33 -15,-2.2 2,-0.2 -2,-0.3 -14,-0.1 0.862 99.5 -2.8 -48.2 -34.8 1.2 21.9 15.6 89 96 A D S > S- 0 0 45 -16,-0.7 4,-1.8 -19,-0.1 -58,-0.1 -0.818 95.8 -78.1-149.0-178.6 4.6 21.3 13.9 90 97 A E H > S+ 0 0 111 -2,-0.2 4,-1.6 1,-0.2 -56,-0.1 0.905 127.9 48.9 -61.6 -38.6 6.3 21.6 10.5 91 98 A R H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 107.3 57.3 -66.9 -39.5 4.7 18.4 9.1 92 99 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 103.9 52.0 -54.3 -42.2 1.3 19.5 10.4 93 100 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.907 109.2 49.7 -65.5 -40.9 1.6 22.7 8.3 94 101 A Y H X S+ 0 0 6 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.911 109.4 52.0 -61.2 -41.3 2.4 20.6 5.2 95 102 A Y H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.869 104.8 56.6 -66.4 -32.6 -0.6 18.4 5.9 96 103 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.919 106.6 50.4 -57.4 -47.8 -2.8 21.5 6.2 97 104 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.834 108.1 51.6 -61.6 -34.3 -1.7 22.4 2.7 98 105 A Q H X S+ 0 0 11 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.875 112.9 45.0 -75.1 -35.7 -2.5 18.9 1.3 99 106 A T H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 3,-0.3 0.898 112.3 52.9 -66.4 -39.5 -6.0 19.1 2.8 100 107 A F H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.824 103.3 57.6 -66.6 -34.4 -6.3 22.7 1.5 101 108 A A H < S+ 0 0 32 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 104.1 51.6 -65.8 -35.9 -5.3 21.5 -2.0 102 109 A Q H < S+ 0 0 44 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.650 107.1 54.7 -74.0 -20.0 -8.3 19.1 -2.1 103 110 A L H < S+ 0 0 19 -4,-0.8 2,-0.7 -3,-0.4 -1,-0.2 0.724 88.4 89.0 -81.4 -26.1 -10.7 21.9 -1.1 104 111 A L < + 0 0 29 -4,-1.0 2,-0.4 -3,-0.2 5,-0.2 -0.649 50.6 162.6 -79.1 110.9 -9.7 24.1 -4.0 105 112 A K - 0 0 126 3,-1.9 3,-0.2 -2,-0.7 -3,-0.0 -0.886 69.2 -19.0-137.8 106.6 -11.8 23.3 -6.9 106 113 A D S S- 0 0 156 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.924 124.2 -52.3 62.1 54.3 -11.9 25.8 -9.8 107 114 A G S S+ 0 0 31 1,-0.2 -89,-2.4 -90,-0.1 2,-0.4 0.627 115.4 116.6 65.2 17.2 -10.7 28.8 -7.9 108 115 A K E -A 17 0A 111 -91,-0.2 -3,-1.9 -3,-0.2 -91,-0.2 -0.962 43.8-169.8-127.1 132.7 -13.2 28.2 -5.3 109 116 A L E -A 16 0A 0 -93,-2.4 -93,-3.2 -2,-0.4 2,-0.1 -0.874 18.9-129.4-113.5 145.6 -13.0 27.3 -1.6 110 117 A P E -A 15 0A 30 0, 0.0 2,-0.7 0, 0.0 -95,-0.2 -0.502 30.0-105.9 -81.0 160.6 -15.6 26.3 0.8 111 118 A E E +A 12 0A 14 -97,-1.6 -99,-3.5 -99,-0.8 2,-0.3 -0.837 62.5 147.7 -85.9 115.7 -16.1 27.9 4.1 112 119 A V E -AE 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-51.0 3.7 0.2 -8.2 371 378 A E T >4 S+ 0 0 9 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.922 113.6 53.3 -63.8 -41.7 1.0 2.3 -9.9 372 379 A S T >4 S+ 0 0 2 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.764 101.9 61.6 -60.6 -25.3 -1.6 -0.5 -9.5 373 380 A S T 3X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.4 -1,-0.3 0.621 80.9 84.3 -79.0 -15.8 -0.8 -0.6 -5.7 374 381 A K H <> S+ 0 0 14 -3,-1.5 4,-2.7 -4,-0.5 -1,-0.2 0.773 80.7 61.8 -62.1 -27.5 -1.9 3.0 -5.4 375 382 A I H <> S+ 0 0 6 -3,-0.8 4,-1.3 -4,-0.3 -1,-0.2 0.962 112.5 36.1 -57.8 -54.9 -5.5 2.0 -4.9 376 383 A A H > S+ 0 0 4 -4,-0.4 4,-2.8 -3,-0.2 -2,-0.2 0.899 118.3 53.1 -66.4 -34.6 -4.6 0.0 -1.8 377 384 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.923 106.5 49.3 -70.7 -43.8 -2.0 2.6 -0.7 378 385 A Y H X S+ 0 0 11 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.824 114.3 49.4 -59.8 -33.0 -4.3 5.6 -0.9 379 386 A S H X S+ 0 0 0 -4,-1.3 4,-2.9 -5,-0.2 -2,-0.2 0.839 108.9 49.4 -77.4 -42.9 -6.8 3.5 1.2 380 387 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.890 107.5 56.0 -59.2 -39.7 -4.3 2.6 3.8 381 388 A A H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.898 112.2 43.3 -61.1 -38.5 -3.3 6.2 4.0 382 389 A S H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.919 114.4 49.5 -73.3 -41.6 -6.9 7.0 4.8 383 390 A Y H < S+ 0 0 4 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.965 113.3 45.1 -62.4 -46.8 -7.4 4.1 7.1 384 391 A A H < S+ 0 0 0 -4,-3.0 -264,-0.6 1,-0.2 -265,-0.5 0.853 114.6 48.2 -69.2 -33.4 -4.2 4.9 9.2 385 392 A W H < S+ 0 0 0 -4,-1.7 -266,-1.6 -5,-0.3 -1,-0.2 0.906 133.9 8.0 -72.0 -42.9 -4.9 8.6 9.4 386 393 A N < + 0 0 1 -4,-2.2 3,-0.3 -268,-0.2 4,-0.3 -0.621 66.1 163.6-138.0 71.6 -8.6 8.4 10.5 387 394 A P S > S+ 0 0 6 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.897 75.2 63.5 -58.1 -37.8 -9.5 4.8 11.3 388 395 A A T 3 S+ 0 0 82 1,-0.3 -35,-0.1 -5,-0.1 -5,-0.0 0.899 114.1 33.1 -52.8 -46.5 -12.7 5.8 13.2 389 396 A K T 3 S+ 0 0 115 -3,-0.3 -1,-0.3 -384,-0.2 2,-0.2 0.221 86.1 143.9 -92.4 13.6 -14.1 7.3 10.0 390 397 A Y < - 0 0 29 -3,-1.9 2,-0.6 -4,-0.3 -7,-0.1 -0.367 29.6-168.0 -66.9 125.4 -12.6 4.8 7.5 391 398 A D > - 0 0 84 -2,-0.2 4,-2.2 1,-0.2 5,-0.3 -0.926 5.1-162.7-118.5 106.4 -15.0 4.1 4.6 392 399 A T H > S+ 0 0 36 -2,-0.6 4,-2.0 1,-0.2 -44,-0.3 0.888 84.0 34.1 -58.6 -57.0 -13.9 1.0 2.6 393 400 A W H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 118.3 50.0 -72.6 -43.0 -15.8 1.4 -0.7 394 401 A Q H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 112.3 48.8 -65.6 -36.2 -15.9 5.2 -0.9 395 402 A T H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.914 109.2 52.9 -67.2 -45.7 -12.1 5.4 -0.3 396 403 A W H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.943 112.9 45.0 -50.0 -50.3 -11.6 2.7 -3.0 397 404 A K H X S+ 0 0 78 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.920 113.4 48.9 -64.7 -45.8 -13.6 4.8 -5.4 398 405 A D H X S+ 0 0 19 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.881 109.9 52.8 -56.5 -45.6 -11.8 8.1 -4.4 399 406 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.973 111.4 46.5 -54.1 -49.6 -8.4 6.3 -4.9 400 407 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.901 112.6 47.6 -63.5 -43.5 -9.4 5.2 -8.5 401 408 A R H < S+ 0 0 125 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.797 113.2 51.8 -71.1 -29.4 -10.8 8.6 -9.5 402 409 A T H < S+ 0 0 71 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.938 114.4 40.5 -64.1 -47.6 -7.5 10.0 -8.1 403 410 A I H < S+ 0 0 14 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.831 135.5 13.7 -74.7 -33.5 -5.3 7.7 -10.0 404 411 A L >< + 0 0 0 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.2 -0.400 62.8 162.0-149.1 62.5 -7.2 7.8 -13.3 405 412 A P G > S+ 0 0 64 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.780 76.2 63.1 -57.2 -30.1 -9.7 10.6 -13.4 406 413 A S G 3 S+ 0 0 68 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.726 125.0 13.5 -70.0 -19.9 -9.9 10.4 -17.3 407 414 A A G <> S+ 0 0 3 -3,-1.8 4,-2.2 -7,-0.2 -1,-0.2 -0.164 77.8 143.2-150.4 49.9 -11.3 6.8 -17.0 408 415 A A H <> S+ 0 0 3 -3,-0.7 4,-3.3 2,-0.2 5,-0.2 0.889 75.8 48.1 -62.9 -44.8 -12.4 6.1 -13.4 409 416 A E H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.910 111.8 51.7 -66.4 -36.3 -15.5 4.0 -14.1 410 417 A E H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.924 112.8 44.4 -64.9 -43.1 -13.5 1.9 -16.6 411 418 A L H X S+ 0 0 1 -4,-2.2 4,-3.8 -7,-0.2 5,-0.2 0.922 111.8 53.6 -70.2 -40.2 -10.8 1.3 -13.9 412 419 A E H X S+ 0 0 32 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.897 108.5 50.8 -52.2 -47.1 -13.5 0.6 -11.3 413 420 A C H X S+ 0 0 12 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.958 114.7 41.8 -58.9 -52.2 -15.0 -2.0 -13.7 414 421 A F H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.939 115.8 50.5 -61.3 -47.7 -11.6 -3.7 -14.1 415 422 A A H >< S+ 0 0 0 -4,-3.8 3,-1.6 1,-0.2 -70,-0.3 0.866 102.9 58.2 -61.2 -38.6 -10.6 -3.4 -10.4 416 423 A M H 3< S+ 0 0 32 -4,-2.6 17,-2.1 1,-0.3 18,-0.2 0.778 110.7 42.5 -72.6 -16.5 -13.8 -4.9 -9.1 417 424 A H T << S+ 0 0 8 -4,-0.9 133,-1.5 -3,-0.8 -1,-0.3 0.154 109.9 60.7-106.2 13.6 -13.3 -8.1 -11.1 418 425 A N S < S+ 0 0 3 -3,-1.6 -73,-2.6 131,-0.2 -1,-0.2 -0.656 76.5 93.8-136.9 77.3 -9.6 -8.3 -10.2 419 426 A S + 0 0 4 -75,-0.3 -73,-0.2 -74,-0.2 2,-0.1 0.532 57.2 82.9-142.4 -39.8 -9.6 -8.5 -6.4 420 427 A D - 0 0 0 1,-0.1 131,-0.2 9,-0.1 -77,-0.1 -0.479 61.3-145.1 -79.4 159.3 -9.4 -12.1 -5.2 421 428 A L - 0 0 1 1,-0.2 -80,-0.1 -2,-0.1 -1,-0.1 0.626 33.3-133.4 -97.7 -13.2 -6.2 -14.1 -4.9 422 429 A G - 0 0 4 8,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.099 58.0 -29.1 73.2 176.1 -7.5 -17.6 -5.9 423 430 A P S S+ 0 0 118 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.271 76.3 163.2 -59.1 141.0 -6.5 -20.5 -3.7 424 431 A N > - 0 0 32 -85,-0.0 3,-1.5 1,-0.0 -85,-0.1 -0.969 51.1-107.7-153.7 163.4 -3.1 -20.1 -2.0 425 432 A G T 3 S+ 0 0 81 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.538 115.5 61.3 -71.6 -10.5 -1.0 -21.6 0.8 426 433 A H T 3 S- 0 0 49 2,-0.1 -1,-0.3 -88,-0.1 -118,-0.2 0.521 100.6-136.0 -90.6 -7.8 -1.5 -18.5 3.0 427 434 A G < + 0 0 49 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.706 53.1 143.4 64.5 20.6 -5.3 -19.1 2.9 428 435 A Y + 0 0 15 -6,-0.1 2,-0.3 -7,-0.0 -1,-0.2 -0.809 20.3 169.1 -98.8 140.0 -6.0 -15.4 2.3 429 436 A R - 0 0 95 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.938 17.9-155.5-143.9 154.3 -8.9 -14.4 -0.0 430 437 A R - 0 0 18 -2,-0.3 -8,-0.2 -8,-0.0 -11,-0.1 -0.947 31.0 -98.8-127.9 154.7 -10.8 -11.3 -0.9 431 438 A E - 0 0 98 -2,-0.3 2,-0.3 -11,-0.1 -85,-0.1 -0.312 41.9-175.1 -65.0 156.1 -14.3 -10.7 -2.3 432 439 A E + 0 0 5 -13,-0.1 -15,-0.2 -15,-0.1 -16,-0.1 -0.974 56.8 3.9-155.5 139.9 -14.7 -10.2 -6.0 433 440 A S S >> S+ 0 0 2 -17,-2.1 4,-1.2 -2,-0.3 3,-0.8 0.760 71.5 161.1 61.5 30.1 -17.5 -9.4 -8.4 434 441 A M T 34 + 0 0 74 1,-0.2 3,-0.4 -18,-0.2 -1,-0.1 0.825 61.9 59.5 -58.2 -39.4 -20.0 -9.0 -5.5 435 442 A D T 34 S+ 0 0 132 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.879 114.6 33.6 -55.3 -45.9 -22.6 -7.0 -7.3 436 443 A I T <> S+ 0 0 17 -3,-0.8 4,-2.6 1,-0.2 5,-0.2 0.547 92.8 96.8 -93.1 -7.4 -23.3 -9.7 -10.0 437 444 A Q H X S+ 0 0 53 -4,-1.2 4,-2.4 -3,-0.4 -1,-0.2 0.823 83.2 46.3 -54.1 -48.3 -22.7 -12.7 -7.8 438 445 A P H > S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.957 113.4 49.2 -57.3 -52.7 -26.4 -13.4 -6.8 439 446 A A H > S+ 0 0 8 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.910 114.4 46.4 -50.5 -48.3 -27.5 -13.1 -10.5 440 447 A A H X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.926 111.0 53.8 -56.4 -48.3 -24.7 -15.4 -11.5 441 448 A E H < S+ 0 0 125 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.810 113.8 39.9 -59.4 -38.0 -25.6 -17.8 -8.7 442 449 A R H >X S+ 0 0 102 -4,-2.2 4,-2.2 2,-0.2 3,-1.1 0.919 109.4 57.4 -81.3 -49.3 -29.2 -18.1 -9.7 443 450 A F H 3X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.880 111.4 45.7 -45.9 -43.4 -28.7 -18.3 -13.4 444 451 A L H 3X S+ 0 0 21 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.3 0.623 109.4 54.0 -83.8 -12.8 -26.5 -21.3 -12.8 445 452 A K H <> S+ 0 0 99 -3,-1.1 4,-1.8 -4,-0.4 6,-0.3 0.952 113.4 41.6 -75.4 -62.9 -28.9 -23.0 -10.4 446 453 A A H X>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 4,-1.0 0.950 116.8 49.0 -41.5 -69.3 -31.8 -22.8 -12.8 447 454 A F H ><5S+ 0 0 22 -4,-2.0 3,-0.7 -5,-0.3 -1,-0.2 0.830 112.0 45.9 -44.0 -53.0 -29.7 -23.8 -15.8 448 455 A K H 3<5S+ 0 0 120 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.983 115.8 42.5 -59.9 -62.5 -27.9 -26.8 -14.3 449 456 A E H 3<5S- 0 0 119 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.474 118.4-110.4 -67.4 -0.8 -30.9 -28.5 -12.6 450 457 A G T <<5S+ 0 0 57 -4,-1.0 -3,-0.2 -3,-0.7 2,-0.2 0.575 74.6 129.4 85.2 10.5 -32.9 -27.8 -15.8 451 458 A K < - 0 0 133 -5,-1.7 2,-0.3 -6,-0.3 -1,-0.3 -0.491 65.9 -87.3 -87.9 167.0 -35.3 -25.1 -14.5 452 459 A N - 0 0 158 -2,-0.2 2,-0.1 -6,-0.1 -6,-0.1 -0.587 36.8-136.3 -84.4 135.7 -35.8 -21.8 -16.2 453 460 A Y - 0 0 58 -2,-0.3 2,-0.3 1,-0.1 -10,-0.1 -0.388 26.1-100.6 -81.6 159.9 -33.6 -18.8 -15.5 454 461 A D >> - 0 0 96 1,-0.1 4,-1.3 -15,-0.1 3,-0.6 -0.627 21.7-138.4 -78.0 135.5 -34.8 -15.2 -15.1 455 462 A K H >> S+ 0 0 91 -2,-0.3 4,-2.3 1,-0.2 3,-0.9 0.937 102.6 57.7 -57.6 -45.7 -34.4 -12.9 -18.1 456 463 A A H 3> S+ 0 0 48 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.774 104.9 52.4 -60.6 -25.6 -33.2 -10.0 -16.0 457 464 A D H <> S+ 0 0 11 -3,-0.6 4,-1.7 2,-0.2 -1,-0.3 0.803 107.7 51.4 -75.4 -32.6 -30.4 -12.2 -14.7 458 465 A F H < S+ 0 0 1 -4,-2.9 3,-1.7 -5,-0.2 -2,-0.2 0.941 104.6 59.7 -60.5 -45.4 -7.9 1.4 -20.5 476 483 A L H 3< S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 112.9 38.2 -48.1 -39.0 -5.6 -0.1 -23.2 477 484 A M T 3< S+ 0 0 143 -4,-1.0 -1,-0.3 -3,-0.3 2,-0.2 0.342 85.5 124.7 -97.9 1.7 -5.5 3.3 -25.0 478 485 A N < - 0 0 20 -3,-1.7 7,-0.1 -4,-0.4 -3,-0.0 -0.466 32.9-179.0 -73.3 131.5 -5.4 5.5 -21.9 479 486 A T + 0 0 99 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 0.268 61.9 88.3-114.9 11.9 -2.5 7.9 -22.0 480 487 A E S S+ 0 0 102 1,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.899 107.6 16.6 -75.9 -41.8 -3.1 9.7 -18.6 481 488 A N S > S+ 0 0 22 1,-0.1 4,-2.0 -77,-0.1 3,-0.3 -0.728 72.1 172.2-131.1 82.0 -1.2 7.2 -16.6 482 489 A K H > S+ 0 0 129 -3,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.907 76.8 56.3 -57.8 -46.9 1.0 5.2 -19.0 483 490 A P H > S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.861 106.8 50.9 -57.6 -35.9 2.9 3.3 -16.3 484 491 A L H > S+ 0 0 5 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.943 110.9 48.3 -62.4 -47.1 -0.3 2.0 -14.8 485 492 A I H X S+ 0 0 11 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.883 108.2 53.8 -61.8 -42.5 -1.5 0.8 -18.3 486 493 A V H < S+ 0 0 112 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.928 110.6 48.6 -57.5 -49.4 1.9 -0.9 -18.9 487 494 A E H < S+ 0 0 31 -4,-2.1 4,-0.3 1,-0.2 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4,-1.6 -5,-0.2 -1,-0.2 0.893 113.5 49.6 -58.8 -38.1 -11.5 -49.0 37.9 1026 386 B S H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.2 -2,-0.2 0.850 110.6 47.5 -75.8 -35.0 -14.0 -47.0 35.8 1027 387 B V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.860 107.3 57.1 -75.6 -36.6 -11.5 -46.2 33.1 1028 388 B A H X S+ 0 0 1 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.947 111.5 44.5 -53.3 -44.4 -10.5 -49.8 33.0 1029 389 B S H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.939 114.1 48.2 -70.7 -46.9 -14.1 -50.6 32.3 1030 390 B Y H < S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 113.6 45.1 -58.9 -46.4 -14.5 -47.8 29.7 1031 391 B A H < S+ 0 0 0 -4,-2.7 -264,-0.9 2,-0.2 -265,-0.3 0.797 114.8 47.2 -75.9 -29.4 -11.4 -48.6 27.7 1032 392 B W H < S+ 0 0 0 -4,-1.7 -266,-2.5 -5,-0.3 -2,-0.2 0.956 135.1 7.5 -75.8 -49.6 -12.0 -52.4 27.6 1033 393 B N >< + 0 0 3 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 -0.649 67.5 164.7-131.1 79.3 -15.7 -52.2 26.6 1034 394 B P G > S+ 0 0 7 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.914 74.7 60.9 -66.7 -34.5 -16.8 -48.7 25.8 1035 395 B A G 3 S+ 0 0 70 1,-0.3 -35,-0.1 -5,-0.1 -5,-0.1 0.807 113.0 38.8 -62.0 -30.0 -20.1 -49.7 24.0 1036 396 B K G < S+ 0 0 130 -3,-0.7 2,-0.5 -7,-0.1 -1,-0.3 0.174 85.8 140.5 -98.0 15.6 -21.3 -51.3 27.2 1037 397 B Y < - 0 0 31 -3,-2.4 2,-0.7 -7,-0.1 -37,-0.1 -0.469 31.4-170.3 -66.4 117.9 -19.8 -48.5 29.5 1038 398 B D > - 0 0 87 -2,-0.5 4,-1.8 1,-0.2 5,-0.3 -0.917 7.6-160.1-112.4 101.5 -22.2 -47.8 32.3 1039 399 B T H > S+ 0 0 39 -2,-0.7 4,-1.7 1,-0.2 -44,-0.3 0.902 85.0 32.6 -38.2 -66.3 -21.1 -44.6 34.2 1040 400 B W H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 117.1 50.6 -77.7 -38.0 -23.0 -45.0 37.5 1041 401 B Q H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.854 111.7 50.6 -67.1 -34.0 -23.1 -48.8 37.9 1042 402 B T H X S+ 0 0 2 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.901 109.3 50.8 -72.8 -42.0 -19.3 -48.9 37.3 1043 403 B W H X S+ 0 0 3 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.950 113.2 45.1 -49.0 -56.4 -18.7 -46.2 40.0 1044 404 B K H X S+ 0 0 75 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.905 113.6 51.3 -59.8 -42.3 -20.8 -48.2 42.4 1045 405 B D H X S+ 0 0 21 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.899 107.9 51.3 -58.2 -49.5 -18.9 -51.4 41.4 1046 406 B A H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.939 111.1 49.2 -50.4 -46.2 -15.5 -49.7 41.9 1047 407 B I H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.918 110.9 47.5 -66.2 -44.3 -16.6 -48.6 45.4 1048 408 B R H < S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.830 114.8 47.5 -69.3 -31.1 -17.9 -52.0 46.5 1049 409 B T H < S+ 0 0 78 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.906 116.3 44.0 -74.8 -41.6 -14.7 -53.6 45.1 1050 410 B I H < S+ 0 0 13 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.911 135.9 11.5 -69.1 -41.3 -12.4 -51.0 46.9 1051 411 B L >< + 0 0 0 -4,-3.2 3,-1.7 -5,-0.2 -1,-0.2 -0.443 65.7 165.1-139.1 64.1 -14.3 -51.1 50.3 1052 412 B P G > S+ 0 0 62 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.855 78.4 58.4 -48.4 -40.5 -16.8 -54.0 50.4 1053 413 B S G 3 S+ 0 0 71 1,-0.2 -5,-0.1 -3,-0.1 3,-0.1 0.734 124.4 17.1 -65.9 -26.7 -17.1 -53.5 54.1 1054 414 B A G <> S+ 0 0 2 -3,-1.7 4,-2.2 -7,-0.2 -1,-0.2 -0.157 77.7 140.2-140.3 47.2 -18.3 -49.9 53.9 1055 415 B A H <> S+ 0 0 3 -3,-0.9 4,-3.0 1,-0.2 5,-0.2 0.905 74.4 48.9 -61.7 -48.2 -19.5 -49.4 50.3 1056 416 B E H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 110.6 51.0 -64.1 -35.7 -22.5 -47.3 51.1 1057 417 B E H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.920 112.2 47.1 -64.9 -43.1 -20.6 -45.0 53.4 1058 418 B L H X S+ 0 0 3 -4,-2.2 4,-3.9 1,-0.2 5,-0.2 0.916 110.6 52.5 -63.2 -42.2 -17.9 -44.5 50.7 1059 419 B E H X S+ 0 0 21 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.921 109.6 50.1 -54.0 -50.4 -20.7 -43.9 48.1 1060 420 B C H X S+ 0 0 8 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.967 114.6 42.5 -57.0 -54.8 -22.1 -41.3 50.5 1061 421 B F H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.919 115.6 49.7 -55.6 -48.5 -18.7 -39.6 50.9 1062 422 B A H >< S+ 0 0 0 -4,-3.9 3,-1.9 1,-0.2 -70,-0.3 0.862 103.1 58.4 -64.5 -39.3 -17.8 -39.8 47.2 1063 423 B M H 3< S+ 0 0 44 -4,-2.7 17,-2.0 1,-0.3 -1,-0.2 0.773 112.3 41.5 -70.0 -17.8 -21.1 -38.4 45.8 1064 424 B H T << S+ 0 0 9 -4,-0.9 133,-1.4 -3,-0.7 -1,-0.3 0.158 111.9 57.9-107.9 17.1 -20.5 -35.2 47.8 1065 425 B N S < S+ 0 0 4 -3,-1.9 -73,-3.0 131,-0.2 -1,-0.2 -0.561 79.1 94.7-141.2 70.1 -16.8 -35.1 47.0 1066 426 B S + 0 0 4 -75,-0.3 -73,-0.2 -3,-0.2 13,-0.1 0.554 58.3 83.2-135.6 -39.6 -16.9 -34.9 43.2 1067 427 B D - 0 0 1 1,-0.1 131,-0.1 9,-0.1 -75,-0.1 -0.385 60.6-147.3 -81.7 161.0 -16.8 -31.3 42.0 1068 428 B L - 0 0 0 1,-0.2 -80,-0.1 9,-0.2 -1,-0.1 0.647 33.9-133.5 -99.7 -16.2 -13.5 -29.3 41.6 1069 429 B G - 0 0 6 8,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.155 55.9 -30.0 76.2 174.5 -14.8 -25.9 42.5 1070 430 B P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.323 77.3 162.8 -62.7 139.2 -13.9 -22.9 40.3 1071 431 B N > - 0 0 35 -85,-0.0 3,-1.2 1,-0.0 -85,-0.1 -0.974 53.0-104.2-152.9 168.2 -10.5 -23.2 38.5 1072 432 B G T 3 S+ 0 0 79 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 0.542 118.2 57.2 -75.5 -5.7 -8.4 -21.8 35.7 1073 433 B H T 3 S- 0 0 43 2,-0.1 -1,-0.3 -88,-0.1 -118,-0.2 0.620 98.1-139.3 -94.2 -15.3 -9.2 -25.0 33.6 1074 434 B G < + 0 0 53 -3,-1.2 2,-0.4 1,-0.2 -2,-0.1 0.631 51.0 144.9 66.5 19.1 -12.9 -24.4 33.8 1075 435 B Y + 0 0 16 -6,-0.1 2,-0.3 -7,-0.0 -1,-0.2 -0.777 21.2 172.5 -95.4 132.4 -13.5 -28.1 34.3 1076 436 B R - 0 0 95 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.905 17.8-155.0-133.4 158.8 -16.3 -29.1 36.6 1077 437 B R - 0 0 19 -2,-0.3 -8,-0.2 -8,-0.0 -9,-0.2 -0.960 31.1-100.2-130.4 157.3 -18.1 -32.3 37.6 1078 438 B E + 0 0 96 -2,-0.3 2,-0.3 -11,-0.1 -85,-0.1 -0.311 43.0 178.9 -73.8 161.5 -21.6 -32.9 39.0 1079 439 B E + 0 0 4 -13,-0.1 -15,-0.2 -15,-0.1 -16,-0.1 -0.924 56.2 3.9-165.0 135.4 -22.0 -33.4 42.8 1080 440 B S S > S+ 0 0 3 -17,-2.0 4,-1.0 -2,-0.3 3,-0.3 0.771 71.0 154.3 63.5 30.0 -24.8 -34.0 45.2 1081 441 B M T 4 + 0 0 80 1,-0.2 3,-0.2 -18,-0.2 -1,-0.1 0.823 61.1 62.5 -65.6 -32.2 -27.4 -34.1 42.4 1082 442 B D T 4 S+ 0 0 134 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.940 112.9 33.6 -58.0 -47.4 -29.9 -36.3 44.3 1083 443 B I T > S+ 0 0 16 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.584 94.7 94.1 -89.1 -5.8 -30.5 -33.7 47.0 1084 444 B Q H X S+ 0 0 61 -4,-1.0 4,-2.4 -3,-0.2 5,-0.2 0.859 80.8 52.4 -51.7 -46.4 -30.1 -30.7 44.7 1085 445 B P H > S+ 0 0 58 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.979 113.3 44.5 -53.7 -59.7 -33.9 -30.3 43.8 1086 446 B A H > S+ 0 0 4 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.756 112.5 52.7 -51.3 -38.0 -34.8 -30.2 47.5 1087 447 B A H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.944 110.6 45.6 -63.6 -51.1 -32.0 -27.8 48.4 1088 448 B E H X S+ 0 0 134 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.874 115.0 47.6 -66.1 -40.8 -32.9 -25.3 45.7 1089 449 B R H X S+ 0 0 122 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.850 111.8 50.9 -58.9 -42.2 -36.6 -25.4 46.7 1090 450 B F H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.2 5,-0.2 0.955 111.7 45.9 -66.8 -50.2 -35.8 -25.0 50.4 1091 451 B L H X S+ 0 0 17 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.802 113.8 49.1 -66.1 -33.4 -33.6 -22.0 49.9 1092 452 B K H X S+ 0 0 130 -4,-1.6 4,-1.7 2,-0.2 6,-0.3 0.985 114.4 43.7 -65.7 -61.8 -36.1 -20.3 47.5 1093 453 B A H ><>S+ 0 0 14 -4,-2.4 5,-0.9 1,-0.2 3,-0.5 0.922 116.8 47.9 -44.2 -54.2 -39.1 -20.8 49.8 1094 454 B F H ><5S+ 0 0 22 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.876 107.4 53.9 -64.8 -43.9 -37.1 -19.8 52.9 1095 455 B K H 3<5S+ 0 0 112 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.852 110.6 47.9 -56.5 -35.3 -35.6 -16.7 51.4 1096 456 B E T <<5S- 0 0 92 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.101 111.3-109.5-103.0 22.1 -39.0 -15.3 50.4 1097 457 B G T < 5S+ 0 0 62 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.382 79.2 134.6 70.6 -13.0 -40.9 -15.7 53.6 1098 458 B K < - 0 0 128 -5,-0.9 -1,-0.3 -6,-0.3 -2,-0.1 -0.393 65.4-100.8 -67.3 147.0 -42.8 -18.4 51.7 1099 459 B N - 0 0 156 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.406 36.0-128.8 -72.0 147.5 -43.2 -21.6 53.6 1100 460 B Y - 0 0 71 -7,-0.1 2,-0.3 -2,-0.1 -10,-0.1 -0.655 24.5 -97.7 -98.4 154.9 -40.9 -24.5 52.9 1101 461 B D > - 0 0 86 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 -0.511 22.1-142.4 -67.3 126.8 -41.8 -28.0 52.1 1102 462 B K H > S+ 0 0 149 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.914 101.0 54.3 -50.7 -47.9 -41.6 -30.3 55.1 1103 463 B A H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 104.3 54.0 -66.1 -34.5 -40.2 -33.1 53.0 1104 464 B D H > S+ 0 0 8 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.921 108.1 50.5 -61.3 -45.4 -37.4 -31.0 51.7 1105 465 B F H X S+ 0 0 10 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.907 112.8 46.6 -51.7 -50.4 -36.4 -30.1 55.3 1106 466 B E H X S+ 0 0 92 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.825 107.1 57.0 -68.7 -28.2 -36.4 -33.8 56.1 1107 467 B T H X S+ 0 0 50 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.918 111.9 43.5 -64.0 -44.1 -34.4 -34.7 52.9 1108 468 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.930 113.3 50.3 -66.3 -48.8 -31.7 -32.4 54.1 1109 469 B Q H X S+ 0 0 79 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.908 110.7 49.1 -54.4 -49.2 -31.9 -33.6 57.7 1110 470 B Y H X S+ 0 0 143 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.862 110.1 54.0 -58.9 -37.9 -31.6 -37.3 56.5 1111 471 B T H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.940 108.1 46.3 -65.1 -50.3 -28.6 -36.2 54.4 1112 472 B F H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.890 113.0 52.2 -59.4 -37.4 -26.6 -34.7 57.2 1113 473 B E H X S+ 0 0 104 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.955 110.2 46.3 -61.3 -46.5 -27.4 -37.7 59.3 1114 474 B R H X S+ 0 0 44 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.874 108.4 57.6 -68.8 -37.8 -26.1 -40.1 56.6 1115 475 B M H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.931 107.1 47.1 -54.7 -46.6 -23.0 -38.0 56.2 1116 476 B K H X S+ 0 0 56 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.899 111.0 51.3 -68.2 -43.0 -22.1 -38.3 59.9 1117 477 B E H X S+ 0 0 79 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.913 114.2 44.5 -51.0 -49.0 -22.7 -42.1 59.8 1118 478 B S H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.948 111.7 51.5 -67.4 -50.9 -20.4 -42.4 56.8 1119 479 B A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.938 114.4 43.5 -49.9 -51.4 -17.7 -40.1 58.2 1120 480 B D H X S+ 0 0 64 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.825 115.4 47.8 -69.7 -31.0 -17.5 -42.0 61.5 1121 481 B I H < S+ 0 0 74 -4,-1.9 4,-0.4 -5,-0.2 3,-0.4 0.917 112.3 49.5 -75.5 -40.9 -17.6 -45.4 59.8 1122 482 B L H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.936 105.1 57.5 -63.4 -46.0 -14.9 -44.5 57.3 1123 483 B L H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 113.9 39.3 -44.8 -39.9 -12.5 -43.1 59.9 1124 484 B M T 3< S+ 0 0 144 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.365 85.1 120.2-102.2 2.7 -12.5 -46.4 61.7 1125 485 B N < + 0 0 18 -3,-1.6 7,-0.1 -4,-0.4 -3,-0.0 -0.474 33.6 179.3 -70.8 138.3 -12.5 -48.7 58.7 1126 486 B T + 0 0 103 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 0.207 60.9 88.9-126.4 14.2 -9.4 -51.0 58.6 1127 487 B E S S+ 0 0 99 1,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.893 108.1 18.7 -75.1 -45.6 -10.1 -52.9 55.5 1128 488 B N S > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 -0.665 74.3 168.4-125.2 80.0 -8.3 -50.3 53.4 1129 489 B K H > S+ 0 0 129 -3,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.894 75.9 54.6 -60.0 -43.1 -6.1 -48.4 55.8 1130 490 B P H > S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.934 108.7 50.8 -60.0 -41.2 -4.1 -46.5 53.2 1131 491 B L H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.935 110.7 48.1 -51.7 -51.5 -7.3 -45.3 51.6 1132 492 B I H X S+ 0 0 10 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.894 108.7 53.2 -63.6 -41.8 -8.6 -44.1 55.0 1133 493 B V H < S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.910 109.3 51.0 -58.4 -47.7 -5.3 -42.3 55.8 1134 494 B E H < S+ 0 0 34 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.911 119.3 34.1 -49.0 -51.5 -5.6 -40.5 52.4 1135 495 B I H >X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 3,-1.2 0.624 87.9 101.7 -87.1 -11.7 -9.1 -39.3 52.9 1136 496 B T H 3X S+ 0 0 35 -4,-1.9 4,-2.7 1,-0.3 5,-0.2 0.801 79.5 51.0 -49.1 -47.5 -9.1 -38.7 56.7 1137 497 B P H 3> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.871 114.6 45.7 -60.6 -32.8 -8.7 -34.9 56.7 1138 498 B W H <> S+ 0 0 5 -3,-1.2 4,-2.5 -4,-0.2 -2,-0.2 0.841 109.4 54.6 -74.4 -37.4 -11.7 -34.6 54.2 1139 499 B V H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.954 107.6 49.3 -60.8 -45.0 -13.6 -37.0 56.2 1140 500 B H H X S+ 0 0 83 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.933 114.5 45.5 -56.1 -46.3 -13.2 -34.8 59.4 1141 501 B Q H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.866 109.9 55.3 -67.3 -33.9 -14.3 -31.7 57.4 1142 502 B F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.907 109.1 46.8 -65.7 -47.0 -17.2 -33.7 55.9 1143 503 B K H X S+ 0 0 55 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.910 111.0 51.9 -58.7 -44.6 -18.5 -34.6 59.4 1144 504 B L H X S+ 0 0 10 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.928 109.0 52.2 -58.3 -41.6 -18.1 -31.0 60.5 1145 505 B T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.898 110.6 46.3 -63.2 -45.7 -20.1 -29.9 57.5 1146 506 B A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.3 0.904 112.5 49.5 -64.4 -42.7 -22.9 -32.3 58.3 1147 507 B E H X S+ 0 0 50 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.920 111.0 51.1 -64.1 -42.9 -23.0 -31.2 62.1 1148 508 B M H X S+ 0 0 2 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.918 108.8 51.7 -56.5 -46.7 -23.1 -27.6 61.0 1149 509 B G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 108.7 50.0 -57.0 -48.3 -26.0 -28.4 58.7 1150 510 B E H X S+ 0 0 38 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.851 112.4 47.3 -55.6 -38.8 -27.9 -30.1 61.5 1151 511 B E H X S+ 0 0 12 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.853 110.0 51.9 -73.9 -38.6 -27.4 -27.1 63.8 1152 512 B V H 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