==== 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 OXIDOREDUCTASE (CHOH(D)-NADP+(A)) 18-JUL-94 1PGQ . COMPND 2 MOLECULE: 6-PHOSPHOGLUCONATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR M.J.ADAMS,C.PHILLIPS,S.GOVER . 473 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 3 1 0 2 3 4 1 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 1 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 94 0, 0.0 63,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 103.9 1.2 3.0 42.8 2 2 A Q + 0 0 124 61,-2.2 2,-0.4 1,-0.5 25,-0.3 0.214 360.0 88.3-165.7 -40.5 0.2 6.2 44.7 3 3 A A B -a 64 0A 0 60,-2.8 62,-1.7 1,-0.2 -1,-0.5 -0.643 61.2-155.6 -72.4 127.0 3.0 8.7 44.2 4 4 A D S S- 0 0 31 23,-2.4 65,-0.3 -2,-0.4 2,-0.3 0.898 77.4 -0.1 -66.3 -43.4 2.5 10.6 41.0 5 5 A I E -b 28 0B 0 22,-1.3 24,-1.7 63,-0.1 2,-0.3 -0.952 66.9-139.0-146.2 150.7 6.3 11.4 40.8 6 6 A A E -bc 29 70B 0 63,-2.3 65,-1.8 -2,-0.3 2,-0.4 -0.895 11.4-161.2-111.4 149.1 9.5 10.6 42.8 7 7 A L E -bc 30 71B 0 22,-1.7 24,-2.2 -2,-0.3 2,-0.6 -0.991 3.1-161.2-134.1 127.0 12.4 13.0 43.5 8 8 A I E +bc 31 72B 0 63,-2.9 65,-2.6 -2,-0.4 24,-0.2 -0.947 62.9 70.6-106.5 115.0 15.8 11.8 44.5 9 9 A G - 0 0 4 22,-2.1 2,-0.9 -2,-0.6 5,-0.2 0.515 50.0-168.9 137.4 80.6 17.7 14.7 46.1 10 10 A L + 0 0 4 4,-0.2 2,-0.1 21,-0.2 22,-0.1 -0.140 45.4 123.0 -87.5 42.7 16.8 16.1 49.5 11 11 A A S > S- 0 0 62 -2,-0.9 4,-2.7 62,-0.3 3,-0.3 -0.412 86.4 -85.6 -84.1 177.9 18.9 19.2 49.5 12 12 A V H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.925 131.8 51.2 -55.8 -46.1 17.0 22.5 50.0 13 13 A M H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.866 112.6 45.4 -56.5 -44.2 16.2 22.8 46.3 14 14 A G H > S+ 0 0 1 -3,-0.3 4,-2.7 -5,-0.2 5,-0.2 0.926 114.6 48.1 -67.1 -45.8 14.8 19.2 46.2 15 15 A Q H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.944 112.3 47.3 -60.7 -52.1 12.8 19.7 49.4 16 16 A N H X S+ 0 0 31 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.861 114.5 48.0 -61.4 -35.6 11.3 23.0 48.3 17 17 A L H X S+ 0 0 5 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.947 111.0 49.1 -71.0 -49.7 10.4 21.5 44.9 18 18 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.893 113.8 50.1 -49.6 -45.3 8.8 18.3 46.4 19 19 A L H X S+ 0 0 16 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.942 108.5 48.8 -62.8 -50.9 6.8 20.7 48.7 20 20 A N H X S+ 0 0 2 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.887 113.0 50.5 -55.1 -40.4 5.6 22.9 45.8 21 21 A M H ><>S+ 0 0 0 -4,-2.3 3,-1.4 2,-0.2 5,-0.7 0.962 108.4 50.0 -64.1 -53.2 4.5 19.7 43.9 22 22 A N H >X5S+ 0 0 18 -4,-2.6 3,-2.4 1,-0.3 4,-0.6 0.925 106.8 56.7 -47.7 -54.2 2.6 18.4 47.0 23 23 A D H 3<5S+ 0 0 91 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.658 102.7 55.4 -54.5 -23.7 0.8 21.8 47.3 24 24 A H T <<5S- 0 0 93 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.222 130.1 -96.5 -96.1 19.2 -0.4 21.5 43.6 25 25 A G T <45S+ 0 0 52 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.930 80.5 133.5 69.6 51.5 -2.0 18.2 44.6 26 26 A F << - 0 0 34 -5,-0.7 2,-0.5 -4,-0.6 -1,-0.3 -0.999 52.7-133.8-129.6 128.2 0.7 15.7 43.5 27 27 A V - 0 0 29 -2,-0.4 -23,-2.4 -25,-0.3 -22,-1.3 -0.768 27.4-161.2 -79.9 122.7 1.7 12.9 45.8 28 28 A V E -b 5 0B 0 -2,-0.5 24,-2.1 -25,-0.2 2,-0.7 -0.932 15.0-151.7-116.2 130.8 5.6 12.7 45.8 29 29 A C E -bd 6 52B 0 -24,-1.7 -22,-1.7 -2,-0.4 2,-0.3 -0.916 24.4-151.6 -96.5 112.7 7.7 9.8 47.0 30 30 A A E +bd 7 53B 0 22,-2.4 24,-2.6 -2,-0.7 2,-0.3 -0.707 19.0 175.0 -89.6 145.5 10.9 11.3 48.2 31 31 A F E +b 8 0B 15 -24,-2.2 -22,-2.1 -2,-0.3 2,-0.3 -0.971 5.6 175.4-144.5 156.7 14.2 9.5 48.1 32 32 A N - 0 0 23 -2,-0.3 3,-0.2 -24,-0.2 6,-0.1 -0.975 39.4-115.2-158.5 155.4 17.8 10.3 48.9 33 33 A R S S+ 0 0 204 -2,-0.3 2,-1.7 1,-0.3 -1,-0.1 0.941 114.0 50.3 -62.5 -54.8 21.2 8.5 49.0 34 34 A T S > S- 0 0 85 1,-0.2 3,-1.9 -3,-0.1 4,-0.4 -0.721 83.8-161.6 -90.9 89.6 21.6 9.0 52.7 35 35 A V T >> S+ 0 0 51 -2,-1.7 4,-1.1 1,-0.3 3,-0.6 0.579 77.7 76.8 -45.5 -21.7 18.2 7.7 53.5 36 36 A S H >> S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.942 87.7 61.2 -56.8 -46.1 18.3 9.3 57.0 37 37 A K H <> S+ 0 0 59 -3,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.796 97.7 58.0 -55.6 -28.8 17.6 12.7 55.4 38 38 A V H <> S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.4 -1,-0.3 0.962 109.5 43.8 -64.0 -48.8 14.3 11.2 54.0 39 39 A D H X S+ 0 0 80 -4,-2.2 4,-2.5 1,-0.2 3,-0.5 0.974 111.2 47.7 -58.4 -58.0 14.4 13.9 58.9 41 41 A F H 3<>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 6,-0.4 0.855 110.3 51.5 -48.2 -50.3 12.3 15.5 56.1 42 42 A L H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.798 114.8 40.9 -61.4 -39.5 9.1 13.5 56.8 43 43 A A H <<5S+ 0 0 59 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.867 129.7 27.5 -74.2 -40.7 9.1 14.3 60.5 44 44 A N T ><5S+ 0 0 91 -4,-2.5 3,-2.6 -5,-0.2 -3,-0.2 0.742 128.8 9.8 -92.6-108.2 10.1 17.9 59.9 45 45 A E T 3 5S+ 0 0 101 1,-0.3 -3,-0.2 3,-0.1 -4,-0.1 0.646 132.1 44.9 -52.3 -30.0 9.4 20.0 56.8 46 46 A A T > S- 0 0 42 1,-0.1 4,-2.8 -21,-0.0 -1,-0.3 -0.912 80.5-114.9-164.3 149.6 15.3 1.9 49.0 57 57 A L H > S+ 0 0 25 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.909 118.1 52.6 -55.4 -45.7 15.3 2.7 45.2 58 58 A E H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.843 109.5 48.6 -65.3 -34.9 13.1 -0.5 44.6 59 59 A E H >> S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 3,-0.9 0.988 112.7 48.4 -62.8 -55.6 10.5 0.7 47.3 60 60 A M H 3X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.3 3,-0.2 0.878 110.0 52.1 -50.4 -43.8 10.5 4.2 45.6 61 61 A V H >< S+ 0 0 10 -4,-3.0 3,-0.6 1,-0.2 -1,-0.3 0.849 109.3 50.6 -64.9 -31.1 10.0 2.5 42.2 62 62 A S H << S+ 0 0 75 -4,-1.6 -1,-0.2 -3,-0.9 -2,-0.2 0.820 101.4 61.0 -72.6 -36.2 7.0 0.5 43.7 63 63 A K H 3< S+ 0 0 54 -4,-1.9 -60,-2.8 -3,-0.2 -61,-2.2 0.659 89.8 99.7 -66.7 -13.6 5.3 3.7 45.1 64 64 A L B << -a 3 0A 6 -4,-0.6 2,-0.2 -3,-0.6 -60,-0.2 -0.475 67.5-136.6 -84.3 143.8 5.1 5.1 41.6 65 65 A K - 0 0 74 -62,-1.7 4,-0.3 2,-0.2 -1,-0.1 -0.549 51.4 -64.8 -85.1 159.2 2.1 5.2 39.2 66 66 A K S S+ 0 0 147 -2,-0.2 2,-0.1 1,-0.2 29,-0.1 -0.757 121.7 46.6 -96.9 142.1 2.8 4.3 35.6 67 67 A P S S- 0 0 34 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.351 98.5-132.2 -72.7 129.9 4.4 5.7 33.6 68 68 A R - 0 0 40 -4,-0.1 28,-3.3 -2,-0.1 2,-0.5 -0.306 23.9-167.8 -57.0 123.6 7.0 5.9 36.3 69 69 A R E + e 0 96B 28 -65,-0.3 -63,-2.3 -4,-0.3 2,-0.3 -0.977 11.0 172.3-116.5 112.3 8.3 9.5 36.6 70 70 A I E -ce 6 97B 0 26,-2.1 28,-2.3 -2,-0.5 2,-0.4 -0.943 17.7-148.2-122.8 147.5 11.4 10.0 38.7 71 71 A I E -ce 7 98B 9 -65,-1.8 -63,-2.9 -2,-0.3 2,-0.7 -0.973 2.6-150.6-117.6 131.9 13.5 13.2 39.1 72 72 A L E +ce 8 99B 0 26,-3.0 28,-3.2 -2,-0.4 29,-0.8 -0.922 25.7 161.3-104.7 108.5 17.2 13.5 39.7 73 73 A L + 0 0 20 -65,-2.6 2,-0.5 -2,-0.7 -62,-0.3 -0.588 27.6 139.0-121.2 59.4 18.1 16.7 41.6 74 74 A V - 0 0 24 -64,-0.1 2,-0.4 3,-0.1 27,-0.1 -0.941 64.2-117.6-106.4 122.6 21.4 15.4 42.7 75 75 A K S S+ 0 0 148 -2,-0.5 2,-0.3 26,-0.1 4,-0.1 -0.582 70.9 119.3 -66.4 117.7 24.1 18.1 42.5 76 76 A A - 0 0 21 -2,-0.4 -2,-0.0 3,-0.1 2,-0.0 -0.998 65.4-171.2-171.8 168.6 26.2 16.4 39.9 77 77 A G S >> S+ 0 0 36 -2,-0.3 3,-1.2 26,-0.1 4,-0.9 0.226 109.5 22.1-128.7 -89.8 28.1 15.1 37.0 78 78 A Q H >> S+ 0 0 137 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.885 116.0 64.9 -46.0 -55.3 29.0 11.5 37.9 79 79 A A H 3> S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.740 96.8 56.5 -50.3 -29.7 26.2 11.0 40.5 80 80 A V H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.963 106.7 48.4 -69.9 -50.8 23.5 11.3 37.8 81 81 A D H < S+ 0 0 39 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.888 96.6 55.6 -62.3 -43.5 17.1 1.1 34.4 89 89 A P T 34 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.903 112.7 46.2 -36.4 -49.3 17.0 -2.5 36.0 90 90 A L T 3< S+ 0 0 54 -4,-0.7 2,-0.4 -3,-0.5 -2,-0.2 0.461 100.2 91.9 -78.1 -9.7 14.0 -1.3 37.9 91 91 A L < - 0 0 19 -3,-1.8 2,-0.1 -4,-0.5 3,-0.1 -0.766 60.8-140.3-110.7 139.9 12.2 0.4 35.0 92 92 A D > - 0 0 79 -2,-0.4 3,-1.9 1,-0.1 2,-0.3 -0.374 45.9 -83.7 -74.4 162.1 9.6 -0.6 32.4 93 93 A I T 3 S+ 0 0 143 1,-0.3 27,-0.2 -2,-0.1 26,-0.1 -0.542 119.3 33.2 -68.4 126.9 9.8 0.6 28.8 94 94 A G T 3 S+ 0 0 24 25,-1.5 -1,-0.3 1,-0.4 26,-0.1 0.319 84.5 135.4 106.0 -7.1 8.2 4.0 28.7 95 95 A D < - 0 0 3 -3,-1.9 26,-2.4 -28,-0.1 -1,-0.4 -0.350 46.3-133.9 -73.3 155.4 9.3 5.2 32.1 96 96 A I E -ef 69 121B 0 -28,-3.3 -26,-2.1 24,-0.2 2,-0.4 -0.919 18.1-170.9-121.0 136.9 10.7 8.7 32.5 97 97 A I E -ef 70 122B 0 24,-1.7 26,-2.2 -2,-0.4 2,-0.4 -0.995 11.1-164.2-128.4 127.6 13.8 10.1 34.3 98 98 A I E -ef 71 123B 0 -28,-2.3 -26,-3.0 -2,-0.4 2,-0.6 -0.939 6.6-150.8-112.0 137.5 14.1 13.8 34.5 99 99 A D E +ef 72 124B 0 24,-2.0 26,-2.2 -2,-0.4 -26,-0.2 -0.952 19.2 172.0-116.5 114.8 17.4 15.4 35.4 100 100 A G + 0 0 8 -28,-3.2 27,-0.4 -2,-0.6 -27,-0.2 0.434 43.0 106.9 -95.0 -12.2 17.2 18.7 37.1 101 101 A G S S- 0 0 5 -29,-0.8 2,-2.1 -27,-0.1 24,-0.1 -0.329 89.6 -97.9 -64.4 159.6 20.9 19.2 38.1 102 102 A N - 0 0 63 24,-0.1 -1,-0.1 81,-0.0 2,-0.1 -0.568 63.6-177.4 -77.8 79.0 22.7 21.9 36.1 103 103 A S - 0 0 4 -2,-2.1 2,-0.4 22,-0.2 81,-0.2 -0.452 35.2 -93.7 -79.7 162.1 24.3 19.3 33.8 104 104 A E >> - 0 0 66 1,-0.1 4,-1.9 -2,-0.1 3,-0.8 -0.563 36.4-130.6 -67.1 123.7 26.8 19.6 30.9 105 105 A Y H 3> S+ 0 0 2 -2,-0.4 4,-1.9 1,-0.3 76,-0.1 0.786 105.0 52.5 -52.8 -35.8 24.6 19.8 27.6 106 106 A R H 3> S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.867 105.8 52.7 -72.8 -33.7 26.6 17.0 25.9 107 107 A D H <> S+ 0 0 45 -3,-0.8 4,-2.9 1,-0.2 -2,-0.2 0.944 109.5 50.3 -64.3 -48.6 26.2 14.5 28.8 108 108 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.903 108.9 52.1 -53.5 -46.1 22.5 15.1 28.6 109 109 A M H X S+ 0 0 36 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.910 113.3 44.9 -53.8 -48.1 22.6 14.5 24.7 110 110 A R H X S+ 0 0 95 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.964 113.2 48.1 -58.4 -62.7 24.4 11.3 25.3 111 111 A R H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.877 109.2 54.2 -50.6 -50.2 22.2 10.1 28.1 112 112 A C H X S+ 0 0 8 -4,-2.9 4,-2.8 1,-0.2 10,-0.2 0.912 110.6 46.2 -53.5 -51.0 19.0 10.9 26.2 113 113 A R H X S+ 0 0 119 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.940 113.3 48.8 -55.7 -53.0 20.1 8.8 23.2 114 114 A D H X S+ 0 0 72 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.820 114.6 43.2 -57.8 -43.6 21.2 5.8 25.3 115 115 A L H <>S+ 0 0 9 -4,-2.5 5,-2.2 2,-0.2 -1,-0.2 0.909 112.1 54.0 -72.4 -40.1 18.0 5.6 27.4 116 116 A K H ><5S+ 0 0 119 -4,-2.8 3,-1.3 -5,-0.3 -2,-0.2 0.866 107.6 53.6 -56.8 -38.7 15.8 6.2 24.2 117 117 A D H 3<5S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.925 109.2 45.7 -62.8 -46.9 17.7 3.2 22.9 118 118 A K T 3<5S- 0 0 110 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.063 123.7-103.5 -86.7 23.9 16.8 1.2 26.0 119 119 A G T < 5S+ 0 0 21 -3,-1.3 -25,-1.5 1,-0.2 2,-0.3 0.331 83.0 123.8 78.0 -6.7 13.1 2.3 25.7 120 120 A I < - 0 0 2 -5,-2.2 2,-0.6 -27,-0.2 -1,-0.2 -0.711 60.3-131.1 -91.6 136.6 13.2 4.9 28.6 121 121 A L E -f 96 0B 7 -26,-2.4 -24,-1.7 -2,-0.3 2,-0.4 -0.794 26.8-167.1 -91.6 113.8 12.3 8.5 27.9 122 122 A F E +f 97 0B 0 -2,-0.6 23,-2.7 -10,-0.2 2,-0.4 -0.880 9.7 176.6-104.7 137.3 15.0 10.9 29.4 123 123 A V E -fG 98 144B 0 -26,-2.2 -24,-2.0 -2,-0.4 2,-0.4 -0.993 12.3-163.0-139.7 134.8 14.5 14.6 29.8 124 124 A G E -fG 99 143B 0 19,-2.6 19,-1.9 -2,-0.4 2,-0.3 -0.992 16.1-176.7-115.5 132.5 17.0 17.0 31.3 125 125 A S E - G 0 142B 2 -26,-2.2 2,-0.3 -2,-0.4 -22,-0.2 -0.942 26.4-124.8-131.1 146.3 15.6 20.4 32.4 126 126 A G E - G 0 141B 0 15,-1.4 15,-2.6 -2,-0.3 2,-0.4 -0.712 24.1-161.0 -80.6 144.1 17.1 23.4 33.8 127 127 A V E + G 0 140B 11 -27,-0.4 2,-0.4 -2,-0.3 13,-0.2 -0.977 16.3 179.1-122.4 135.8 15.5 24.5 37.0 128 128 A S E + G 0 139B 4 11,-2.1 11,-2.7 -2,-0.4 237,-0.0 -0.998 42.2 68.3-148.0 147.4 16.1 28.1 38.1 129 129 A G S > S- 0 0 4 -2,-0.4 4,-1.3 9,-0.2 3,-0.2 0.214 83.6-114.8 134.7 -2.2 15.1 30.6 40.8 130 130 A G H > - 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0 0 29 -2,-0.2 4,-2.5 1,-0.0 3,-0.3 -0.528 34.1 -96.8 -79.1 161.3 27.9 57.3 49.2 212 212 A H H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.719 120.8 56.4 -61.7 -24.7 26.0 54.0 49.5 213 213 A K H > S+ 0 0 142 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.974 112.3 40.3 -65.8 -51.6 22.7 55.6 50.5 214 214 A E H > S+ 0 0 87 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.938 115.2 54.1 -63.9 -43.7 22.5 57.8 47.4 215 215 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.915 108.4 47.7 -54.7 -48.7 23.8 54.9 45.3 216 216 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.911 109.9 54.3 -60.0 -39.2 21.0 52.7 46.7 217 217 A K H X S+ 0 0 119 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.892 107.9 50.0 -60.3 -42.2 18.5 55.5 45.9 218 218 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.948 108.6 51.1 -64.0 -49.8 19.7 55.6 42.3 219 219 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.917 109.2 52.5 -56.5 -43.8 19.4 51.8 41.9 220 220 A E H < S+ 0 0 91 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.881 108.4 49.0 -57.2 -46.3 15.7 52.1 43.2 221 221 A E H >< S+ 0 0 81 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.890 111.0 52.3 -57.8 -37.6 14.8 54.8 40.7 222 222 A W H ><>S+ 0 0 11 -4,-2.1 3,-2.2 1,-0.3 5,-0.6 0.877 99.5 60.1 -67.4 -39.2 16.3 52.6 38.0 223 223 A N T 3<5S+ 0 0 21 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.578 103.7 56.1 -66.4 -9.3 14.2 49.5 39.0 224 224 A K T < 5S+ 0 0 148 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.378 105.8 55.6-101.7 1.8 11.3 51.8 38.2 225 225 A T T X 5S- 0 0 56 -3,-2.2 3,-1.5 0, 0.0 -3,-0.0 -0.303 122.7 -52.8-110.3-151.5 12.4 52.5 34.6 226 226 A E T 3 5S+ 0 0 88 1,-0.3 145,-0.2 -2,-0.1 -3,-0.1 0.705 130.7 69.8 -59.7 -19.7 13.2 50.2 31.7 227 227 A L T 3 < + 0 0 2 -5,-0.6 2,-0.7 143,-0.1 -1,-0.3 0.009 60.9 146.1 -86.9 22.6 15.6 48.4 34.1 228 228 A D < + 0 0 71 -3,-1.5 142,-1.5 -4,-0.1 143,-0.6 -0.571 31.3 135.1 -62.0 108.1 12.7 47.0 36.2 229 229 A S B > -J 369 0D 10 -2,-0.7 4,-2.2 140,-0.2 3,-0.5 -0.965 67.3-114.6-160.8 145.3 14.5 43.7 37.1 230 230 A F H > S+ 0 0 39 138,-1.7 4,-2.8 -2,-0.3 5,-0.2 0.821 112.8 52.6 -52.1 -41.6 15.2 41.6 40.2 231 231 A L H > S+ 0 0 18 135,-0.4 4,-1.8 137,-0.3 -1,-0.2 0.886 109.3 49.1 -70.1 -36.5 19.0 42.1 40.2 232 232 A I H > S+ 0 0 3 -3,-0.5 4,-1.9 -5,-0.2 -1,-0.2 0.906 113.2 51.0 -61.6 -42.1 18.6 46.0 40.2 233 233 A E H X S+ 0 0 103 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.982 112.2 41.7 -60.8 -58.7 16.1 45.5 43.0 234 234 A I H X S+ 0 0 53 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.800 109.4 61.5 -65.3 -24.8 18.3 43.3 45.3 235 235 A T H X S+ 0 0 21 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.951 101.9 50.4 -62.5 -47.8 21.3 45.6 44.5 236 236 A A H X S+ 0 0 3 -4,-1.9 4,-1.9 -3,-0.3 -2,-0.2 0.909 112.8 49.1 -57.1 -40.7 19.5 48.6 46.1 237 237 A S H X S+ 0 0 72 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 110.0 48.8 -61.7 -48.5 18.9 46.3 49.1 238 238 A I H < S+ 0 0 83 -4,-2.7 12,-0.4 1,-0.2 11,-0.3 0.887 111.4 50.5 -62.5 -40.1 22.5 45.2 49.3 239 239 A L H < S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.5 45.7 -66.5 -39.0 23.8 48.8 49.1 240 240 A K H < S+ 0 0 89 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.809 87.5 114.0 -69.6 -36.7 21.4 49.9 51.9 241 241 A F < - 0 0 120 -4,-1.9 8,-1.4 -5,-0.1 2,-0.4 -0.103 49.9-158.7 -50.4 132.5 22.1 46.9 54.2 242 242 A Q B -K 248 0E 111 6,-0.2 6,-0.2 7,-0.1 -1,-0.1 -0.935 8.8-132.7-119.2 141.8 23.8 47.7 57.5 243 243 A D > - 0 0 52 4,-3.0 3,-2.4 -2,-0.4 -1,-0.1 -0.077 41.8 -80.2 -80.4 179.5 25.8 45.4 59.7 244 244 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.717 132.4 52.9 -56.4 -28.5 25.6 44.8 63.5 245 245 A D T 3 S- 0 0 74 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.252 119.5-111.7 -91.4 9.5 27.7 47.9 64.0 246 246 A G S < S+ 0 0 39 -3,-2.4 2,-0.3 1,-0.2 -2,-0.1 0.663 80.5 118.2 70.3 12.7 25.3 50.0 61.9 247 247 A K S S- 0 0 133 1,-0.1 -4,-3.0 2,-0.0 -1,-0.2 -0.801 76.3 -85.3-108.8 159.3 27.8 50.5 59.0 248 248 A H B -K 242 0E 44 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.386 30.1-151.4 -67.3 138.0 27.3 49.3 55.4 249 249 A L S >> S+ 0 0 55 -8,-1.4 3,-2.1 -11,-0.3 4,-0.7 0.797 82.9 72.9 -82.2 -30.8 28.3 45.7 54.8 250 250 A L G >4 S+ 0 0 49 -12,-0.4 3,-1.6 -9,-0.4 -1,-0.1 0.927 95.5 54.2 -56.8 -46.5 29.3 45.9 51.0 251 251 A P G 34 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.609 106.5 57.5 -54.6 -14.8 32.5 47.9 51.9 252 252 A K G <4 S+ 0 0 101 -3,-2.1 2,-0.3 -4,-0.1 -2,-0.2 0.676 87.4 88.9 -92.5 -23.0 33.4 45.0 54.3 253 253 A I S << S- 0 0 106 -3,-1.6 2,-0.2 -4,-0.7 0, 0.0 -0.624 81.1-106.2 -98.4 144.5 33.3 42.0 51.9 254 254 A R - 0 0 146 -2,-0.3 2,-1.6 1,-0.1 -1,-0.1 -0.397 22.5-133.0 -64.9 127.8 36.2 40.7 49.9 255 255 A D + 0 0 76 -2,-0.2 2,-0.5 2,-0.1 -1,-0.1 -0.376 64.9 117.1 -83.7 61.0 36.2 41.3 46.2 256 256 A S - 0 0 44 -2,-1.6 2,-0.4 35,-0.1 35,-0.1 -0.908 55.7-147.0-128.0 96.2 37.1 37.8 44.8 257 257 A A - 0 0 38 -2,-0.5 34,-0.2 30,-0.3 2,-0.1 -0.567 11.4-144.4 -74.1 124.4 34.1 36.6 42.7 258 258 A G - 0 0 56 -2,-0.4 2,-0.3 32,-0.1 -1,-0.0 -0.314 11.6-156.3 -79.6 163.1 33.5 32.8 42.8 259 259 A Q - 0 0 48 -2,-0.1 25,-0.0 28,-0.0 -1,-0.0 -0.988 21.9-162.8-138.9 152.5 32.3 30.6 40.0 260 260 A K - 0 0 171 -2,-0.3 2,-2.4 0, 0.0 -2,-0.0 -0.500 55.5-103.9-126.3 54.4 30.6 27.3 39.5 261 261 A G S > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.1 -2,-0.0 0.028 95.0 99.6 58.2 -32.5 31.5 26.7 35.8 262 262 A T H > S+ 0 0 11 -2,-2.4 4,-1.5 2,-0.2 -74,-0.2 0.901 87.5 44.9 -56.5 -43.7 28.1 27.5 33.9 263 263 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 111.0 54.5 -66.3 -40.7 29.2 31.0 32.8 264 264 A K H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.962 107.3 52.4 -50.2 -52.5 32.6 29.7 31.8 265 265 A W H X S+ 0 0 58 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.804 103.1 55.2 -60.6 -36.2 30.8 27.2 29.6 266 266 A T H X S+ 0 0 0 -4,-1.5 4,-1.9 -82,-0.2 3,-0.4 0.988 111.2 45.9 -60.3 -53.4 28.6 29.8 27.7 267 267 A A H X S+ 0 0 13 -4,-1.8 4,-2.1 1,-0.3 -2,-0.2 0.903 111.1 52.5 -55.6 -49.6 31.8 31.7 26.7 268 268 A I H X S+ 0 0 79 -4,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.874 108.1 51.7 -55.9 -38.1 33.5 28.4 25.7 269 269 A S H X S+ 0 0 2 -4,-2.1 4,-2.8 -3,-0.4 5,-0.2 0.900 106.8 52.8 -69.8 -36.5 30.6 27.4 23.4 270 270 A A H X>S+ 0 0 6 -4,-1.9 5,-2.2 -3,-0.2 4,-1.7 0.950 111.4 47.2 -59.4 -48.5 30.6 30.8 21.7 271 271 A L H <5S+ 0 0 142 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.938 112.8 48.4 -59.5 -52.5 34.3 30.2 21.0 272 272 A E H <5S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 120.9 35.4 -54.9 -46.6 33.7 26.6 19.7 273 273 A Y H <5S- 0 0 46 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.534 110.6-115.4 -91.6 -4.4 30.8 27.6 17.3 274 274 A G T <5 + 0 0 64 -4,-1.7 -3,-0.2 -3,-0.4 -4,-0.1 0.841 61.8 148.6 77.3 36.8 32.2 31.0 16.3 275 275 A V < - 0 0 11 -5,-2.2 2,-2.5 -6,-0.2 -1,-0.3 -0.908 51.2-129.5-105.6 119.3 29.4 33.1 17.8 276 276 A P + 0 0 61 0, 0.0 2,-2.1 0, 0.0 -5,-0.1 -0.212 43.5 158.9 -73.3 58.3 30.7 36.5 19.0 277 277 A V > + 0 0 9 -2,-2.5 4,-1.0 1,-0.2 -7,-0.1 -0.486 13.0 158.6 -79.0 77.2 29.2 36.3 22.6 278 278 A T H > + 0 0 50 -2,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.858 56.7 53.7 -78.8 -36.7 31.6 39.0 24.0 279 279 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 109.4 49.6 -68.6 -44.0 30.1 40.5 27.1 280 280 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.895 111.0 50.7 -59.6 -40.5 29.6 37.1 28.8 281 281 A G H X S+ 0 0 13 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.964 111.7 47.7 -58.6 -50.8 33.2 36.2 28.0 282 282 A E H X S+ 0 0 67 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.700 110.5 52.4 -60.5 -33.1 34.3 39.6 29.5 283 283 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 3,-0.2 0.961 109.1 47.4 -69.6 -55.1 32.2 38.9 32.6 284 284 A V H X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.3 -2,-0.2 0.930 115.5 47.9 -53.8 -46.5 33.8 35.4 33.1 285 285 A F H X S+ 0 0 139 -4,-2.5 4,-2.2 1,-0.2 -1,-0.3 0.857 106.3 55.7 -66.0 -35.7 37.2 37.0 32.7 286 286 A A H X S+ 0 0 14 -4,-1.7 4,-2.0 -3,-0.2 -1,-0.2 0.899 108.3 49.1 -66.6 -33.4 36.3 39.9 35.1 287 287 A R H X S+ 0 0 38 -4,-2.2 4,-1.4 2,-0.2 -30,-0.3 0.929 110.4 51.6 -68.7 -37.0 35.5 37.2 37.8 288 288 A C H X S+ 0 0 53 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.908 108.5 52.0 -60.2 -40.3 38.9 35.6 37.0 289 289 A L H >< S+ 0 0 95 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.891 105.6 52.6 -64.3 -46.0 40.6 38.9 37.4 290 290 A S H 3< S+ 0 0 22 -4,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.831 97.9 66.6 -65.4 -27.7 39.1 39.6 40.9 291 291 A S H 3< S+ 0 0 58 -4,-1.4 2,-1.8 1,-0.3 3,-0.4 0.822 86.0 72.0 -60.3 -24.4 40.3 36.1 42.1 292 292 A L + 0 0 44 -2,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.916 67.9 46.0 -67.9 -45.6 43.2 39.7 44.8 294 294 A D H > S+ 0 0 118 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.949 111.4 53.5 -63.1 -45.3 46.7 39.4 46.2 295 295 A E H > S+ 0 0 131 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.889 107.7 49.5 -58.8 -41.3 48.2 40.2 42.8 296 296 A R H X S+ 0 0 67 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.920 105.6 56.5 -68.5 -39.0 46.2 43.4 42.4 297 297 A I H X S+ 0 0 80 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.905 113.4 43.7 -55.4 -36.5 47.2 44.7 45.9 298 298 A Q H >X S+ 0 0 119 -4,-1.8 3,-1.0 2,-0.2 4,-0.9 0.951 112.5 49.9 -72.2 -49.8 50.7 44.3 44.6 299 299 A A H >X S+ 0 0 36 -4,-2.9 4,-3.5 1,-0.2 3,-0.8 0.873 103.9 61.0 -62.0 -34.7 50.0 45.8 41.1 300 300 A S H 3< S+ 0 0 85 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.751 100.9 53.5 -62.9 -29.5 48.3 48.9 42.7 301 301 A K H << S+ 0 0 139 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.824 123.7 26.4 -73.5 -31.4 51.5 49.8 44.5 302 302 A K H << S+ 0 0 177 -4,-0.9 2,-0.4 -3,-0.8 -2,-0.2 0.794 104.5 74.1-102.5 -39.4 53.5 49.8 41.3 303 303 A L < - 0 0 127 -4,-3.5 2,-0.2 -5,-0.1 -1,-0.0 -0.727 69.7-145.0 -92.9 132.1 51.2 50.5 38.2 304 304 A K - 0 0 178 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.627 6.2-144.6 -99.4 152.8 50.1 54.1 37.9 305 305 A G - 0 0 64 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.285 35.8 -65.7-105.2-173.8 46.9 55.6 36.6 306 306 A P - 0 0 73 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.289 67.9 -80.1 -68.3 160.1 45.8 58.7 34.6 307 307 A Q - 0 0 164 1,-0.1 2,-0.7 -2,-0.0 0, 0.0 -0.381 57.1-105.8 -62.0 134.2 46.3 62.2 36.1 308 308 A N + 0 0 138 -3,-0.1 -1,-0.1 -2,-0.0 107,-0.1 -0.565 43.5 178.8 -73.8 111.2 43.5 62.7 38.5 309 309 A I - 0 0 108 -2,-0.7 3,-0.1 105,-0.1 -1,-0.0 -0.975 29.6-126.0-111.3 110.8 41.0 65.2 36.8 310 310 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 -103,-0.1 -0.163 35.1 -93.8 -50.3 145.8 38.0 65.8 39.2 311 311 A F - 0 0 70 -104,-0.4 2,-0.6 104,-0.0 4,-0.1 -0.572 45.7-173.7 -68.0 122.2 34.5 65.1 37.6 312 312 A E + 0 0 182 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.0 -0.982 47.1 66.9-119.2 103.6 33.5 68.5 36.4 313 313 A G S S- 0 0 54 -2,-0.6 2,-0.5 4,-0.0 -2,-0.0 -0.915 93.1 -49.7 166.2-176.9 29.9 68.2 35.1 314 314 A D > - 0 0 67 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.693 36.1-153.8 -87.7 130.3 26.4 67.6 36.4 315 315 A K H > S+ 0 0 107 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.891 94.5 52.5 -64.4 -41.6 26.0 64.6 38.6 316 316 A K H > S+ 0 0 156 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 109.6 48.9 -63.8 -41.4 22.3 64.0 37.8 317 317 A S H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 112.3 49.2 -62.7 -42.9 23.0 64.0 34.0 318 318 A F H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.949 105.8 55.6 -66.6 -42.4 25.8 61.5 34.5 319 319 A L H X S+ 0 0 33 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.841 109.8 49.1 -58.5 -29.5 23.6 59.3 36.6 320 320 A E H X S+ 0 0 68 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.961 107.2 53.0 -68.4 -53.4 21.3 59.3 33.6 321 321 A D H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.855 108.0 51.0 -52.7 -38.7 24.1 58.5 31.2 322 322 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.935 107.4 54.0 -69.5 -39.5 25.1 55.4 33.3 323 323 A R H X S+ 0 0 12 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.938 112.9 43.8 -51.4 -49.7 21.4 54.3 33.3 324 324 A K H X S+ 0 0 43 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.830 112.8 50.7 -68.9 -37.1 21.5 54.4 29.5 325 325 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.953 110.5 49.0 -68.3 -47.3 24.9 52.8 29.2 326 326 A L H X S+ 0 0 5 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.856 116.6 45.3 -57.2 -40.0 23.9 49.8 31.5 327 327 A Y H X S+ 0 0 7 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.957 111.5 47.0 -73.5 -52.8 20.7 49.4 29.4 328 328 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.905 116.3 48.6 -56.4 -40.4 22.2 49.7 25.8 329 329 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.915 106.6 54.2 -65.3 -46.9 24.8 47.2 26.9 330 330 A K H X S+ 0 0 11 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.934 107.6 53.0 -52.2 -45.1 22.2 44.8 28.5 331 331 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.943 108.8 48.1 -55.1 -54.5 20.5 44.9 25.1 332 332 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.858 110.9 52.2 -58.8 -36.8 23.8 43.9 23.3 333 333 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.911 113.0 43.2 -67.3 -41.0 24.4 41.1 25.8 334 334 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.915 110.9 54.7 -72.2 -38.7 21.0 39.6 25.2 335 335 A A H X S+ 0 0 1 -4,-2.8 4,-1.2 1,-0.2 53,-0.3 0.886 112.7 43.9 -58.5 -42.0 21.2 40.0 21.5 336 336 A Q H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.875 109.2 59.6 -69.4 -39.7 24.5 38.0 21.6 337 337 A G H >X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.6 0.946 108.5 41.7 -54.5 -52.8 22.8 35.6 24.0 338 338 A F H 3X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.782 106.0 63.4 -74.2 -19.4 20.2 34.6 21.5 339 339 A M H 3X S+ 0 0 39 -4,-1.2 4,-2.4 -5,-0.2 -1,-0.2 0.879 104.7 50.3 -65.1 -34.4 22.7 34.6 18.6 340 340 A L H S+ 0 0 8 -4,-1.9 4,-1.5 -5,-0.2 5,-1.0 0.955 113.2 38.7 -59.6 -46.9 19.8 25.5 16.8 346 346 A T H <5S+ 0 0 106 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.850 117.3 53.1 -69.6 -32.5 21.6 25.2 13.4 347 347 A E H <5S+ 0 0 89 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.847 125.8 18.4 -69.5 -45.2 24.4 23.2 15.0 348 348 A F H <5S- 0 0 53 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.406 106.0-116.7-109.7 -6.4 22.5 20.4 16.7 349 349 A G T <5 + 0 0 61 -4,-1.5 2,-0.3 -5,-0.4 -3,-0.2 0.952 58.0 149.4 70.7 56.4 19.3 20.9 14.6 350 350 A W < - 0 0 9 -5,-1.0 2,-1.0 -6,-0.2 -1,-0.2 -0.898 45.5-137.1-114.9 146.1 16.7 21.9 17.3 351 351 A T - 0 0 141 -2,-0.3 2,-0.2 2,-0.0 -5,-0.0 -0.862 32.4-173.5-105.0 92.1 13.8 24.2 16.5 352 352 A L - 0 0 11 -2,-1.0 2,-0.8 -11,-0.1 3,-0.1 -0.616 24.2-135.2 -83.3 151.5 13.9 26.4 19.5 353 353 A N > - 0 0 99 -180,-0.2 4,-2.1 -2,-0.2 3,-0.3 -0.911 16.4-165.7-104.5 105.0 11.1 29.0 20.1 354 354 A Y H > S+ 0 0 26 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.897 89.4 50.3 -64.3 -36.2 13.1 32.0 21.1 355 355 A G H > S+ 0 0 0 2,-0.2 4,-2.3 24,-0.2 -1,-0.2 0.852 108.3 55.2 -66.2 -32.8 10.0 33.9 22.4 356 356 A G H > S+ 0 0 10 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.948 111.0 43.3 -61.0 -51.1 9.2 30.7 24.4 357 357 A I H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.910 110.4 55.2 -59.0 -50.1 12.6 30.8 26.1 358 358 A A H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.908 110.8 47.6 -53.7 -42.2 12.3 34.6 26.6 359 359 A L H >X S+ 0 0 19 -4,-2.3 3,-2.0 1,-0.2 4,-0.6 0.906 105.9 56.1 -65.0 -46.2 9.1 33.9 28.4 360 360 A M H 3< S+ 0 0 4 -4,-2.2 5,-0.4 1,-0.3 -1,-0.2 0.725 112.2 45.0 -60.4 -21.4 10.7 31.0 30.5 361 361 A W T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.341 95.0 80.2 -99.0 -0.2 13.3 33.6 31.7 362 362 A R T <4 S+ 0 0 72 -3,-2.0 2,-0.3 -5,-0.2 7,-0.3 0.746 104.7 17.1 -83.3 -21.9 10.6 36.3 32.4 363 363 A G S < S+ 0 0 12 -4,-0.6 2,-1.2 5,-0.1 -1,-0.2 -0.972 117.1 26.4-145.0 156.8 9.6 34.9 35.7 364 364 A G S S+ 0 0 11 -2,-0.3 -3,-0.1 1,-0.2 -228,-0.1 -0.660 95.8 85.4 99.1 -76.7 11.2 32.4 38.2 365 365 A C S > S- 0 0 0 -2,-1.2 3,-2.1 -5,-0.4 -1,-0.2 -0.038 88.3-105.6 -64.2 160.6 14.8 32.9 37.4 366 366 A I T 3 S+ 0 0 42 1,-0.3 -135,-0.4 -3,-0.1 -1,-0.1 0.750 116.7 57.8 -58.0 -28.1 17.4 35.4 38.7 367 367 A I T 3 S+ 0 0 3 -137,-0.1 -1,-0.3 -4,-0.1 5,-0.2 0.356 76.5 143.0 -90.0 11.9 17.4 37.3 35.4 368 368 A R < + 0 0 68 -3,-2.1 -138,-1.7 -139,-0.1 -137,-0.3 -0.173 20.8 141.2 -59.8 138.6 13.6 38.1 35.5 369 369 A S B >> -J 229 0D 5 -7,-0.3 4,-0.7 -140,-0.2 3,-0.5 -0.938 67.9-106.3-170.0 159.1 12.6 41.4 34.1 370 370 A V H >> S+ 0 0 63 -142,-1.5 4,-1.3 -2,-0.3 3,-0.8 0.814 115.2 71.4 -54.3 -34.3 10.1 43.5 32.2 371 371 A F H >> S+ 0 0 6 -143,-0.6 4,-1.9 1,-0.2 3,-0.5 0.926 88.3 55.9 -53.8 -52.1 12.9 43.4 29.6 372 372 A L H <> S+ 0 0 0 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.787 103.0 61.7 -57.6 -21.8 12.5 39.7 28.7 373 373 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 3,-0.6 0.931 106.5 53.2 -63.8 -42.5 12.3 40.5 23.9 376 376 A K H 3X S+ 0 0 51 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.904 109.5 44.8 -62.5 -44.6 9.4 38.0 23.7 377 377 A D H 3X S+ 0 0 55 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.633 104.4 63.6 -83.4 -2.3 7.1 40.2 21.6 378 378 A A H < - 0 0 80 -4,-1.1 3,-1.0 -5,-0.0 -1,-0.3 -0.709 62.3-176.3-159.8 100.9 8.8 38.1 13.8 383 383 A P T 3 S+ 0 0 96 0, 0.0 -29,-0.2 0, 0.0 -4,-0.1 0.445 87.7 59.4 -76.8 -3.6 9.8 34.6 14.9 384 384 A G T 3 S+ 0 0 44 0, 0.0 -5,-0.1 0, 0.0 0, 0.0 0.269 74.7 142.6-105.1 9.1 12.3 34.4 12.1 385 385 A L < - 0 0 12 -3,-1.0 3,-0.1 1,-0.1 -3,-0.0 -0.171 41.5-155.0 -52.6 128.6 14.2 37.5 13.3 386 386 A Q S S+ 0 0 143 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.880 73.0 8.5 -78.5 -36.1 17.9 37.0 12.8 387 387 A N > - 0 0 7 1,-0.1 3,-2.5 -48,-0.0 -1,-0.3 -0.971 63.0-130.0-154.1 131.5 19.1 39.3 15.5 388 388 A L G > S+ 0 0 2 -2,-0.3 3,-1.7 -53,-0.3 6,-0.3 0.731 104.4 66.7 -46.0 -33.2 17.5 41.2 18.4 389 389 A L G 3 S+ 0 0 10 1,-0.3 -1,-0.3 5,-0.1 9,-0.1 0.699 95.9 58.2 -67.9 -17.3 19.2 44.5 17.4 390 390 A L G < S+ 0 0 100 -3,-2.5 2,-0.5 4,-0.1 -1,-0.3 0.456 79.7 101.1 -89.9 -6.5 17.2 44.5 14.2 391 391 A D S X> S- 0 0 10 -3,-1.7 4,-2.8 -4,-0.2 3,-0.9 -0.756 81.7-125.3 -78.6 130.6 13.8 44.5 16.1 392 392 A D H 3> S+ 0 0 111 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.729 104.9 56.7 -47.8 -39.0 12.5 48.1 16.0 393 393 A F H 3> S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 118.4 31.9 -58.7 -52.1 12.0 48.4 19.8 394 394 A F H <> S+ 0 0 0 -3,-0.9 4,-3.0 -6,-0.3 5,-0.4 0.881 114.6 59.9 -70.8 -47.2 15.7 47.6 20.6 395 395 A K H X S+ 0 0 71 -4,-2.8 4,-1.5 -7,-0.3 -2,-0.2 0.900 115.6 36.7 -49.6 -44.6 17.0 49.2 17.3 396 396 A S H X S+ 0 0 49 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.3 0.883 112.0 57.5 -78.9 -36.0 15.4 52.4 18.7 397 397 A A H X S+ 0 0 11 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.920 112.4 42.7 -62.2 -40.7 16.3 51.8 22.4 398 398 A V H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.940 110.5 56.1 -68.7 -45.1 20.0 51.6 21.5 399 399 A E H < S+ 0 0 102 -4,-1.5 4,-0.3 -5,-0.4 -2,-0.2 0.804 112.8 43.2 -56.6 -32.0 19.8 54.5 19.1 400 400 A N H < S+ 0 0 121 -4,-1.8 4,-0.3 1,-0.1 3,-0.3 0.862 115.2 46.4 -79.4 -44.5 18.4 56.6 21.9 401 401 A C H >X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.2 3,-0.8 0.712 89.9 101.2 -70.4 -21.7 20.9 55.4 24.6 402 402 A Q H 3X S+ 0 0 50 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.752 80.7 33.5 -43.5 -63.5 23.8 55.9 22.1 403 403 A D H 3> S+ 0 0 99 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.736 117.6 55.9 -77.3 -9.8 25.7 59.2 23.0 404 404 A S H <> S+ 0 0 8 -3,-0.8 4,-2.3 -4,-0.3 -2,-0.2 0.955 110.1 47.5 -69.8 -49.6 24.9 58.7 26.8 405 405 A W H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.869 114.1 45.2 -53.8 -47.0 26.7 55.3 26.4 406 406 A R H X S+ 0 0 66 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.974 113.8 50.1 -65.5 -47.9 29.6 56.9 24.5 407 407 A R H X S+ 0 0 112 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.798 110.4 50.1 -59.6 -33.6 29.8 59.7 27.0 408 408 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -87,-0.2 -1,-0.2 0.950 113.2 45.5 -70.6 -45.5 29.8 57.2 30.0 409 409 A I H X S+ 0 0 17 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.946 111.1 52.7 -64.4 -47.8 32.6 55.1 28.4 410 410 A S H X S+ 0 0 67 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.911 112.3 44.7 -53.3 -50.6 34.8 58.2 27.5 411 411 A T H X S+ 0 0 33 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.945 113.9 50.1 -60.2 -46.6 34.6 59.6 31.1 412 412 A G H X>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-1.0 0.917 112.0 48.1 -55.2 -49.6 35.3 56.0 32.6 413 413 A V H ><5S+ 0 0 88 -4,-2.8 3,-0.8 2,-0.2 -1,-0.2 0.924 113.8 46.6 -55.1 -52.2 38.3 55.6 30.2 414 414 A Q H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.1 46.0 -58.5 -40.5 39.7 59.1 31.2 415 415 A A H 3<5S- 0 0 46 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.532 112.9-116.4 -83.9 -9.9 39.1 58.4 34.9 416 416 A G T <<5 + 0 0 43 -4,-1.0 -3,-0.2 -3,-0.8 -4,-0.1 0.722 57.6 153.8 80.5 24.3 40.6 54.9 34.9 417 417 A I < - 0 0 15 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.770 46.7-123.3 -89.0 125.2 37.5 52.9 35.8 418 418 A P + 0 0 74 0, 0.0 -216,-0.1 0, 0.0 -215,-0.1 -0.596 38.6 167.1 -63.9 117.4 37.7 49.3 34.5 419 419 A M > + 0 0 9 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.343 5.8 159.3-131.6 57.3 34.6 48.7 32.4 420 420 A P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.914 80.1 38.2 -45.7 -58.7 35.2 45.4 30.4 421 421 A C H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.845 113.2 54.5 -66.5 -36.1 31.6 44.6 29.6 422 422 A F H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.900 113.9 43.3 -67.3 -37.9 30.5 48.3 28.9 423 423 A T H X S+ 0 0 45 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.951 110.2 53.3 -77.1 -44.5 33.3 48.6 26.3 424 424 A T H X S+ 0 0 20 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.806 107.0 55.9 -53.2 -34.7 32.8 45.2 24.6 425 425 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.956 110.1 42.0 -65.7 -50.0 29.2 46.1 24.2 426 426 A L H X S+ 0 0 19 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.933 115.3 52.2 -62.5 -43.9 30.1 49.4 22.3 427 427 A S H X S+ 0 0 79 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.873 111.3 45.3 -58.9 -43.3 32.8 47.5 20.4 428 428 A F H X S+ 0 0 23 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.949 112.5 52.6 -66.7 -47.4 30.3 44.7 19.3 429 429 A Y H X S+ 0 0 36 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.934 114.7 40.0 -53.3 -54.9 27.7 47.4 18.4 430 430 A D H X S+ 0 0 37 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.765 115.2 54.9 -65.7 -27.2 30.1 49.4 16.1 431 431 A G H >< S+ 0 0 21 -4,-1.5 3,-0.9 -5,-0.3 -2,-0.2 0.988 112.0 40.9 -66.3 -53.7 31.5 46.1 14.8 432 432 A Y H 3< S+ 0 0 96 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.758 110.8 58.4 -64.0 -40.3 28.1 44.8 13.7 433 433 A R H 3< S+ 0 0 125 -4,-2.1 2,-0.5 -5,-0.3 -1,-0.3 0.684 89.1 86.7 -58.2 -33.3 26.9 48.1 12.3 434 434 A H << - 0 0 91 -3,-0.9 3,-0.1 -4,-0.8 -4,-0.0 -0.702 58.1-165.3 -85.2 123.6 29.9 48.4 9.9 435 435 A A S S+ 0 0 112 -2,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.559 86.2 44.0 -77.2 -12.7 29.3 46.7 6.5 436 436 A M S S+ 0 0 96 -3,-0.0 -1,-0.2 3,-0.0 -3,-0.0 -0.986 72.9 177.3-137.8 120.8 33.1 46.9 5.9 437 437 A L > - 0 0 84 -2,-0.4 3,-1.0 -3,-0.1 2,-0.2 -0.913 44.5-107.1-121.3 150.9 35.4 46.0 8.8 438 438 A P T >> S+ 0 0 98 0, 0.0 3,-1.3 0, 0.0 4,-0.8 0.294 89.1 110.2 -68.5 22.2 39.3 45.9 8.6 439 439 A A H 3> + 0 0 54 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.699 63.2 72.6 -69.6 -16.8 39.2 42.0 8.7 440 440 A N H <> S+ 0 0 88 -3,-1.0 4,-2.4 2,-0.2 -1,-0.3 0.859 91.8 55.0 -68.1 -30.0 40.4 42.2 5.0 441 441 A L H <> S+ 0 0 103 -3,-1.3 4,-3.0 2,-0.2 5,-0.2 0.935 104.4 53.6 -70.9 -40.5 43.8 43.2 6.3 442 442 A I H X S+ 0 0 95 -4,-0.8 4,-2.8 1,-0.2 -2,-0.2 0.946 113.8 44.8 -50.5 -49.9 43.8 40.0 8.6 443 443 A Q H X S+ 0 0 56 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.848 111.6 49.2 -61.8 -42.5 43.1 38.1 5.3 444 444 A A H X S+ 0 0 27 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.945 113.6 48.8 -65.5 -44.4 45.7 39.9 3.2 445 445 A Q H X S+ 0 0 86 -4,-3.0 4,-2.6 1,-0.2 5,-0.4 0.925 111.0 49.6 -60.8 -48.8 48.3 39.2 6.0 446 446 A R H X S+ 0 0 88 -4,-2.8 4,-1.7 1,-0.2 6,-1.6 0.850 110.0 49.4 -62.6 -38.0 47.3 35.6 6.1 447 447 A D H X S+ 0 0 0 -4,-2.0 4,-0.9 4,-0.3 -1,-0.2 0.871 116.6 46.4 -67.6 -33.1 47.6 35.1 2.3 448 448 A Y H >< S+ 0 0 134 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.995 123.1 26.9 -71.1 -72.2 51.0 36.8 2.5 449 449 A F H 3< S+ 0 0 155 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.745 138.2 23.1 -69.3 -23.2 52.7 35.1 5.5 450 450 A G H 3< S- 0 0 29 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.127 93.6-118.1-136.4 25.2 50.8 31.8 5.2 451 451 A A << + 0 0 66 -4,-0.9 -4,-0.3 -3,-0.6 -3,-0.1 0.617 59.6 148.5 53.4 28.5 49.5 31.2 1.7 452 452 A H - 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