==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-JUN-09 3HXW . COMPND 2 MOLECULE: ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GUO,X.-L.YANG,P.SCHIMMEL . 441 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 23 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 2 0 0 2 2 0 1 0 2 2 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 2 1 0 0 1 0 2 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 0 0 0 0 1 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 S 0 0 118 0, 0.0 2,-0.2 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 169.9 7.9 47.8 40.9 2 2 A K - 0 0 96 245,-0.2 2,-0.0 1,-0.1 245,-0.0 -0.482 360.0-121.9 -73.8 142.1 7.2 47.4 37.2 3 3 A S > - 0 0 33 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.305 29.5-104.2 -72.0 165.1 7.4 43.9 35.6 4 4 A T H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 124.8 52.1 -56.6 -42.3 9.8 43.3 32.7 5 5 A A H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 109.1 49.1 -62.3 -40.2 6.7 43.3 30.4 6 6 A E H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 111.1 49.9 -67.8 -36.0 5.6 46.7 31.8 7 7 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 109.3 51.3 -68.6 -44.7 9.1 48.2 31.4 8 8 A R H X S+ 0 0 9 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.936 115.0 43.2 -53.9 -48.6 9.3 47.0 27.8 9 9 A Q H X S+ 0 0 91 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.874 110.6 54.8 -69.2 -37.6 5.9 48.6 27.0 10 10 A A H X S+ 0 0 18 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.889 106.6 52.2 -64.1 -39.7 6.7 51.8 28.9 11 11 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.945 113.0 43.4 -59.3 -50.7 9.9 52.3 26.8 12 12 A L H X S+ 0 0 19 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.893 112.2 53.5 -64.3 -40.7 7.9 51.9 23.6 13 13 A D H X S+ 0 0 80 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.903 106.6 53.7 -60.9 -42.4 5.1 54.1 24.8 14 14 A F H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.961 114.0 39.4 -55.4 -55.1 7.6 56.9 25.7 15 15 A F H <>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 3,-0.4 0.877 113.1 55.2 -69.1 -34.8 9.1 56.9 22.2 16 16 A H H ><5S+ 0 0 114 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.921 106.2 52.2 -59.2 -43.0 5.8 56.5 20.5 17 17 A S H 3<5S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.721 105.3 57.4 -65.5 -21.0 4.6 59.6 22.5 18 18 A K T 3<5S- 0 0 68 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.022 130.5 -94.9 -97.1 24.4 7.7 61.3 21.1 19 19 A G T < 5S+ 0 0 55 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.561 76.5 145.6 81.5 9.3 6.6 60.6 17.5 20 20 A H < - 0 0 3 -5,-2.7 2,-0.3 -6,-0.1 41,-0.3 -0.676 51.3-122.0 -85.0 131.3 8.6 57.4 16.9 21 21 A Q E -a 61 0A 98 39,-2.4 41,-2.4 -2,-0.4 2,-0.6 -0.546 24.4-130.0 -66.8 124.4 7.0 54.7 14.8 22 22 A V E -a 62 0A 62 -2,-0.3 2,-0.4 39,-0.2 41,-0.2 -0.708 30.6-171.7 -78.3 119.6 6.7 51.5 16.8 23 23 A V - 0 0 24 39,-2.4 41,-0.4 -2,-0.6 3,-0.1 -0.922 23.5-110.7-115.9 140.3 8.3 48.7 14.7 24 24 A A - 0 0 80 -2,-0.4 41,-0.1 1,-0.1 39,-0.0 -0.339 40.7 -94.6 -65.8 146.2 8.1 44.9 15.5 25 25 A S - 0 0 35 39,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.293 42.9-126.7 -49.9 139.4 11.3 43.1 16.5 26 26 A S - 0 0 25 1,-0.2 40,-0.4 40,-0.1 -1,-0.1 -0.377 32.9 -86.4 -78.5 170.5 12.9 41.4 13.5 27 27 A S - 0 0 43 2,-0.2 -1,-0.2 -2,-0.1 266,-0.1 -0.274 31.3-118.4 -64.6 162.0 13.8 37.7 13.4 28 28 A L S S+ 0 0 0 264,-0.2 11,-2.1 1,-0.1 40,-0.1 0.574 101.7 66.1 -74.6 -13.2 17.2 36.6 14.9 29 29 A V S S- 0 0 36 9,-0.2 -2,-0.2 267,-0.1 2,-0.2 -0.932 77.3-146.3-119.9 112.6 18.0 35.3 11.4 30 30 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.476 8.7-165.3 -74.0 144.8 18.5 37.7 8.5 31 31 A H S S+ 0 0 173 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.718 88.9 35.1 -92.1 -27.6 17.4 36.7 5.0 32 32 A N S S+ 0 0 145 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.075 95.7 81.5-126.3 32.5 19.3 39.5 3.2 33 33 A D > - 0 0 20 3,-0.2 3,-1.7 1,-0.1 -1,-0.1 -0.752 43.9-179.0-139.1 93.4 22.6 40.1 5.1 34 34 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.658 83.1 60.6 -64.2 -17.3 25.4 37.7 4.3 35 35 A T T 3 S+ 0 0 87 1,-0.1 2,-0.5 2,-0.0 139,-0.2 0.534 92.0 81.0 -86.8 -6.6 27.7 39.5 6.8 36 36 A L < - 0 0 14 -3,-1.7 -3,-0.2 1,-0.2 3,-0.1 -0.889 48.6-176.5-115.7 120.3 25.4 38.8 9.8 37 37 A L S S- 0 0 45 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.997 77.3 -9.7 -70.7 -71.8 25.3 35.5 11.8 38 38 A F S S- 0 0 6 30,-0.2 -1,-0.3 33,-0.2 -9,-0.2 -0.953 87.7 -86.2-126.0 152.4 22.5 36.4 14.2 39 39 A T + 0 0 4 -11,-2.1 29,-2.9 -2,-0.3 3,-0.1 -0.361 47.8 172.2 -54.1 120.7 20.7 39.7 14.9 40 40 A N + 0 0 7 27,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.408 57.7 24.0-116.6 -1.8 22.9 41.4 17.6 41 41 A A S > S- 0 0 1 25,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.987 74.6-112.2-159.6 153.8 21.3 44.8 17.8 42 42 A G G > S+ 0 0 0 -2,-0.3 3,-0.6 1,-0.2 4,-0.2 0.791 112.8 63.1 -55.5 -30.3 18.0 46.7 17.2 43 43 A M G > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.655 77.0 89.1 -74.0 -13.9 19.7 48.6 14.3 44 44 A N G X S+ 0 0 12 -3,-1.4 3,-1.6 1,-0.3 4,-0.2 0.893 86.8 48.6 -52.6 -47.6 20.3 45.4 12.2 45 45 A Q G < S+ 0 0 55 -3,-0.6 -1,-0.3 -4,-0.3 3,-0.1 0.616 113.5 48.8 -71.7 -10.5 16.9 45.6 10.4 46 46 A F G X> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.2 3,-0.7 0.184 75.9 115.5-108.5 13.5 17.4 49.3 9.6 47 47 A K H <> S+ 0 0 25 -3,-1.6 4,-1.6 1,-0.3 5,-0.2 0.901 76.9 47.2 -51.2 -50.9 21.0 48.8 8.3 48 48 A D H 3>>S+ 0 0 83 -4,-0.2 5,-2.5 1,-0.2 6,-1.6 0.754 107.9 57.2 -66.2 -25.8 20.1 49.9 4.7 49 49 A V H X45S+ 0 0 16 -3,-0.7 3,-1.0 4,-0.2 -1,-0.2 0.937 107.4 47.1 -68.4 -46.2 18.3 52.9 6.1 50 50 A F H 3<5S+ 0 0 2 -4,-2.1 181,-0.4 1,-0.3 -2,-0.2 0.827 110.7 53.5 -61.2 -32.2 21.4 54.1 7.9 51 51 A L H 3<5S- 0 0 29 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.625 113.6-121.3 -77.3 -13.9 23.3 53.4 4.6 52 52 A G T <<5S+ 0 0 51 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.657 86.2 111.3 80.6 17.4 20.9 55.6 2.8 53 53 A L S S+L 74 0B 17 3,-0.8 3,-0.6 -3,-0.1 -1,-0.3 -0.944 96.7 40.3 173.3 172.8 29.2 34.6 17.6 72 72 A G T 3 S- 0 0 67 -2,-0.3 3,-0.1 1,-0.2 -36,-0.1 -0.370 114.5 -17.3 69.9-144.5 30.4 37.1 15.0 73 73 A K T 3 S+ 0 0 79 1,-0.2 2,-0.6 99,-0.2 -1,-0.2 0.867 137.4 39.4 -66.6 -41.1 31.3 40.6 16.0 74 74 A H E < S+L 71 0B 33 -3,-0.6 -3,-0.8 98,-0.1 2,-0.5 -0.927 71.1 163.5-119.2 108.4 29.5 40.7 19.3 75 75 A N E +L 70 0B 78 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.2 -0.946 14.1 162.6-134.6 110.3 29.8 37.4 21.3 76 76 A D >> + 0 0 33 -7,-2.7 3,-1.6 -2,-0.5 4,-0.9 0.215 42.5 113.6-111.8 13.4 29.1 37.1 25.0 77 77 A L G >4 S+ 0 0 3 1,-0.3 3,-0.8 -8,-0.3 -1,-0.1 0.878 77.8 50.7 -52.5 -44.2 28.7 33.4 25.2 78 78 A E G 34 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.571 105.4 58.4 -77.5 -7.3 31.8 32.9 27.4 79 79 A N G X> S+ 0 0 58 -3,-1.6 3,-2.2 8,-0.1 4,-1.0 0.672 78.0 111.7 -87.0 -22.5 30.6 35.7 29.8 80 80 A V B << S+m 83 0C 8 -4,-0.9 7,-0.1 -3,-0.8 202,-0.1 -0.324 88.0 10.3 -62.7 127.4 27.3 33.9 30.6 81 81 A G T 34 S+ 0 0 6 2,-0.6 -1,-0.3 5,-0.4 201,-0.1 0.239 117.9 76.4 88.8 -12.9 27.2 32.7 34.3 82 82 A Y T <4 S+ 0 0 99 -3,-2.2 2,-0.3 4,-0.1 -2,-0.2 0.541 98.9 33.9-105.0 -13.9 30.4 34.6 35.0 83 83 A T B < S-m 80 0C 20 -4,-1.0 -2,-0.6 3,-0.2 3,-0.1 -0.929 70.9-130.9-134.4 165.1 28.7 38.1 35.2 84 84 A A S S+ 0 0 18 -2,-0.3 169,-2.5 1,-0.2 170,-0.3 0.427 104.3 47.6 -90.4 1.2 25.4 39.4 36.4 85 85 A R S S+ 0 0 27 167,-0.1 2,-0.5 -6,-0.1 -1,-0.2 0.521 87.6 88.6-123.1 -10.9 24.9 41.4 33.2 86 86 A H + 0 0 21 -7,-0.2 -5,-0.4 -3,-0.1 2,-0.3 -0.831 42.0 165.9-104.3 131.5 25.7 39.2 30.2 87 87 A H - 0 0 6 -2,-0.5 -11,-0.2 1,-0.2 -18,-0.1 -0.855 37.9-139.7-124.5 165.7 23.3 37.0 28.2 88 88 A T S S+ 0 0 0 -2,-0.3 -19,-2.4 1,-0.3 2,-0.5 0.882 100.7 37.7 -80.5 -54.6 23.4 35.2 24.9 89 89 A F E S+B 68 0A 0 196,-0.3 2,-0.3 -21,-0.2 -1,-0.3 -0.818 79.0 144.3 -97.0 130.8 19.7 36.1 24.3 90 90 A F E -B 67 0A 26 -23,-2.1 -23,-2.9 -2,-0.5 2,-0.5 -0.986 45.3-111.2-155.6 164.1 18.5 39.5 25.4 91 91 A E E -B 66 0A 5 -2,-0.3 149,-2.6 -25,-0.2 2,-0.6 -0.875 23.4-154.7-101.8 132.2 16.1 42.3 24.4 92 92 A M E -BC 65 239A 18 -27,-2.7 -27,-2.6 -2,-0.5 2,-0.6 -0.929 6.8-149.0-107.8 116.5 17.5 45.6 23.2 93 93 A L E +BC 64 238A 0 145,-3.4 145,-2.3 -2,-0.6 2,-0.3 -0.762 31.3 179.7 -85.1 119.3 15.2 48.6 23.7 94 94 A G E -B 63 0A 0 -31,-2.9 -31,-1.7 -2,-0.6 2,-0.3 -0.918 31.1-166.6-130.6 146.8 16.0 51.1 21.0 95 95 A N E -B 62 0A 0 -2,-0.3 141,-2.1 -33,-0.2 2,-0.4 -0.970 20.0-162.8-120.8 149.5 15.1 54.4 19.4 96 96 A F E -BD 61 235A 0 -35,-2.8 -35,-1.9 -2,-0.3 2,-0.5 -0.984 14.9-161.7-136.6 137.9 16.4 55.5 16.0 97 97 A S E -BD 60 234A 0 137,-2.0 137,-2.2 -2,-0.4 2,-1.0 -0.979 6.1-164.4-118.4 116.3 16.7 58.7 14.1 98 98 A F S S- 0 0 21 -39,-3.0 135,-0.1 -2,-0.5 -42,-0.1 -0.712 81.5 -42.5-100.2 82.2 17.0 58.3 10.3 99 99 A G S S+ 0 0 36 -2,-1.0 -1,-0.2 133,-0.2 134,-0.1 0.842 122.2 104.9 63.2 34.4 18.3 61.8 9.3 100 100 A D S S- 0 0 63 1,-0.5 2,-0.2 -41,-0.2 -40,-0.1 0.694 82.7 -7.4-105.7 -93.0 15.8 63.3 11.7 101 101 A Y - 0 0 16 1,-0.1 -1,-0.5 133,-0.1 -2,-0.2 -0.546 67.8-164.3-100.3 173.1 17.3 64.6 15.0 102 102 A F > - 0 0 60 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.186 44.6 -24.7-133.8-136.0 20.8 64.2 16.2 103 103 A K H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 123.3 43.2 -58.1 -55.6 23.1 64.4 19.3 104 104 A L H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.949 118.2 43.2 -60.4 -51.1 21.4 66.8 21.7 105 105 A D H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.844 111.4 55.0 -68.1 -32.3 17.9 65.5 21.2 106 106 A A H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.941 112.4 43.7 -60.2 -48.2 19.0 61.8 21.4 107 107 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.912 113.8 50.7 -64.8 -42.9 20.7 62.5 24.8 108 108 A L H X S+ 0 0 66 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.909 108.0 52.0 -62.7 -43.7 17.7 64.5 26.0 109 109 A F H X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.929 113.2 45.2 -55.7 -48.2 15.2 61.8 25.2 110 110 A A H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.920 113.7 47.5 -64.3 -47.2 17.3 59.2 27.0 111 111 A W H X S+ 0 0 26 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.900 111.7 52.2 -61.9 -40.6 17.9 61.4 30.1 112 112 A L H X S+ 0 0 67 -4,-2.6 4,-2.3 -5,-0.2 9,-0.3 0.948 111.1 45.1 -62.4 -50.4 14.2 62.3 30.2 113 113 A L H < S+ 0 0 0 -4,-2.3 7,-2.5 -5,-0.2 8,-0.3 0.920 119.3 43.1 -59.3 -44.4 13.0 58.7 30.2 114 114 A L H < S+ 0 0 1 -4,-2.3 8,-3.2 -5,-0.2 -2,-0.2 0.884 128.9 20.6 -68.9 -41.5 15.6 57.6 32.7 115 115 A T H < S+ 0 0 13 -4,-2.7 -3,-0.2 6,-0.3 -2,-0.2 0.559 86.4 114.0-115.3 -11.3 15.4 60.4 35.2 116 116 A S ><> - 0 0 23 -4,-2.3 3,-1.8 -5,-0.4 5,-1.3 -0.415 64.3-134.1 -67.7 138.1 12.0 62.3 34.9 117 117 A E T 3 5S+ 0 0 171 1,-0.3 -1,-0.2 3,-0.1 -5,-0.0 0.754 110.4 57.5 -56.8 -24.7 9.6 62.1 37.8 118 118 A K T 3 5S+ 0 0 167 -6,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.598 119.5 21.9 -83.0 -13.0 7.0 61.4 35.1 119 119 A W T < 5S- 0 0 83 -3,-1.8 -5,-0.1 -7,-0.2 -6,-0.1 0.162 130.1 -21.9-123.6-122.4 8.9 58.4 33.8 120 120 A F T 5 - 0 0 17 -7,-2.5 -6,-0.2 -8,-0.2 -5,-0.2 0.743 67.7-157.1 -73.0 -22.5 11.6 56.0 35.2 121 121 A A < + 0 0 54 -5,-1.3 -6,-0.3 -8,-0.3 -7,-0.1 0.819 19.3 178.5 53.9 40.0 12.6 58.5 37.9 122 122 A L - 0 0 11 -8,-3.2 2,-0.5 1,-0.1 -1,-0.2 -0.463 42.3 -95.9 -69.9 145.0 16.1 57.0 38.4 123 123 A P > - 0 0 44 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.506 31.4-147.9 -62.5 115.6 18.3 58.9 41.0 124 124 A K G > S+ 0 0 110 -2,-0.5 3,-1.6 1,-0.3 -2,-0.1 0.810 91.8 66.0 -57.6 -32.4 20.4 61.2 38.8 125 125 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 23,-0.0 -3,-0.0 0.663 97.1 54.5 -67.4 -17.3 23.3 61.0 41.3 126 126 A R G < S+ 0 0 77 -3,-1.8 61,-2.8 2,-0.0 2,-0.5 0.411 90.1 96.5 -95.7 1.2 23.8 57.3 40.5 127 127 A L E < -E 186 0A 0 -3,-1.6 2,-0.3 -4,-0.2 59,-0.2 -0.807 49.3-179.0-100.6 130.7 24.1 57.8 36.7 128 128 A W E -E 185 0A 41 57,-2.5 57,-3.3 -2,-0.5 2,-0.3 -0.870 9.2-154.3-119.9 154.7 27.5 58.2 35.0 129 129 A V E -Ef 184 153A 0 23,-2.5 25,-2.8 -2,-0.3 2,-0.4 -0.958 3.7-157.2-131.4 150.2 28.2 58.8 31.3 130 130 A T E -Ef 183 154A 1 53,-2.1 53,-1.4 -2,-0.3 2,-0.3 -0.951 10.2-171.3-120.2 147.0 31.0 58.1 28.9 131 131 A V E - 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0 0 70 -5,-0.1 -4,-2.6 1,-0.0 2,-0.6 -0.486 49.4-130.5 -80.0 149.2 38.5 52.3 6.0 226 226 A M E - K 0 220A 33 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.886 17.5-168.1-106.3 114.9 35.6 54.5 7.1 227 227 A E E - K 0 219A 98 -8,-2.3 -8,-3.4 -2,-0.6 -10,-0.0 -0.889 30.9-112.3 -99.6 127.9 33.2 55.9 4.4 228 228 A P E - K 0 218A 103 0, 0.0 -10,-0.3 0, 0.0 -11,-0.0 -0.267 24.6-123.7 -57.4 136.9 30.8 58.6 5.6 229 229 A L E - 0 0 11 -12,-2.5 -178,-0.1 1,-0.1 -177,-0.1 -0.564 24.5-117.7 -72.8 148.4 27.1 57.8 5.8 230 230 A P E S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -179,-0.1 0.884 99.7 25.8 -55.8 -44.3 25.0 60.2 3.7 231 231 A K E S- 0 0 119 -181,-0.4 -132,-0.2 -3,-0.0 -179,-0.1 -0.979 85.5-121.4-127.9 121.1 23.1 61.5 6.8 232 232 A P E + 0 0 58 0, 0.0 -133,-0.2 0, 0.0 2,-0.2 -0.367 47.3 178.3 -55.0 133.7 24.4 61.4 10.3 233 233 A S E - K 0 216A 5 -17,-2.1 -17,-1.4 -135,-0.1 2,-0.4 -0.781 26.8-112.2-138.6 175.5 21.9 59.4 12.3 234 234 A V E +DK 97 215A 0 -137,-2.2 -137,-2.0 -2,-0.2 2,-0.4 -0.962 22.5 176.0-123.0 133.2 21.1 57.9 15.7 235 235 A D E +DK 96 214A 5 -21,-2.5 -21,-3.1 -2,-0.4 2,-0.3 -0.963 14.0 177.1-132.1 112.0 21.0 54.3 16.9 236 236 A T E - K 0 213A 1 -141,-2.1 2,-0.3 -2,-0.4 -23,-0.2 -0.854 7.6-178.6-118.3 157.7 20.4 53.6 20.6 237 237 A G E - K 0 212A 12 -25,-2.3 -25,-2.9 -2,-0.3 2,-0.4 -0.927 6.8-174.6-157.8 126.9 20.0 50.5 22.6 238 238 A M E -CK 93 211A 0 -145,-2.3 -145,-3.4 -2,-0.3 2,-0.4 -0.987 33.2-116.8-122.8 129.8 19.2 49.7 26.3 239 239 A G E > -C 92 0A 13 -29,-1.3 4,-2.4 -2,-0.4 5,-0.3 -0.517 17.9-153.2 -66.5 118.7 19.3 46.2 27.7 240 240 A L H > S+ 0 0 0 -149,-2.6 4,-2.3 -2,-0.4 -1,-0.2 0.914 95.5 49.5 -59.2 -44.2 15.8 45.4 28.9 241 241 A E H > S+ 0 0 3 -150,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.877 111.2 49.4 -64.1 -39.2 17.1 43.0 31.5 242 242 A R H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.907 113.8 43.8 -69.3 -42.5 19.7 45.5 32.9 243 243 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.849 110.9 56.6 -71.9 -31.7 17.2 48.3 33.2 244 244 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.898 104.7 52.4 -61.9 -41.3 14.7 45.9 34.7 245 245 A A H <>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 4,-0.2 0.933 111.6 46.2 -60.5 -46.5 17.2 45.0 37.4 246 246 A V H ><5S+ 0 0 7 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.957 116.1 44.4 -58.2 -53.1 17.7 48.8 38.2 247 247 A L H 3<5S+ 0 0 25 -4,-2.8 -245,-0.2 1,-0.3 -1,-0.2 0.773 112.6 51.5 -66.4 -28.4 13.9 49.4 38.3 248 248 A Q T 3<5S- 0 0 26 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.345 113.2-117.6 -93.3 6.6 13.1 46.3 40.3 249 249 A H T < 5S+ 0 0 162 -3,-1.3 2,-0.3 -4,-0.2 -3,-0.2 0.835 73.9 118.9 63.5 37.6 15.8 47.2 42.9 250 250 A V < - 0 0 20 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.778 59.1-139.8-122.7 172.0 18.0 44.2 42.4 251 251 A N S S+ 0 0 50 -2,-0.3 2,-0.3 -3,-0.1 -5,-0.1 0.796 77.7 61.0-103.7 -34.9 21.6 44.0 41.3 252 252 A S S > S- 0 0 18 1,-0.1 3,-1.9 -7,-0.1 4,-0.2 -0.736 72.2-134.2 -99.5 142.9 21.7 41.0 38.9 253 253 A N G > S+ 0 0 5 -169,-2.5 3,-1.4 -2,-0.3 6,-0.4 0.832 109.4 62.0 -53.7 -33.1 19.8 40.5 35.7 254 254 A Y G 3 S+ 0 0 3 -170,-0.3 -1,-0.3 1,-0.3 9,-0.2 0.511 94.0 62.3 -78.4 -3.1 19.0 37.0 37.0 255 255 A D G < S+ 0 0 70 -3,-1.9 -1,-0.3 -171,-0.2 -2,-0.2 0.415 79.1 106.9 -99.6 -1.3 17.2 38.5 39.9 256 256 A I S <> S- 0 0 0 -3,-1.4 4,-2.5 -4,-0.2 5,-0.2 -0.337 89.2-100.7 -71.9 162.2 14.5 40.2 37.8 257 257 A D H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.882 120.0 55.0 -50.4 -45.9 11.0 38.8 37.8 258 258 A L H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 114.5 37.2 -55.6 -52.0 11.5 37.1 34.4 259 259 A F H > S+ 0 0 0 -6,-0.4 4,-3.0 -3,-0.2 5,-0.2 0.798 110.2 60.1 -77.4 -29.7 14.7 35.1 35.4 260 260 A R H X S+ 0 0 129 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.945 111.5 41.6 -61.1 -46.1 13.5 34.4 39.0 261 261 A T H X S+ 0 0 70 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.923 116.5 48.5 -64.6 -46.2 10.6 32.5 37.6 262 262 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.894 109.8 51.5 -63.8 -41.4 12.6 30.9 34.8 263 263 A I H X S+ 0 0 14 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.886 105.9 55.6 -65.2 -37.7 15.4 29.7 37.2 264 264 A Q H X S+ 0 0 116 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.887 107.6 50.2 -57.7 -39.8 12.7 28.2 39.5 265 265 A A H X S+ 0 0 17 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.866 108.6 51.5 -67.8 -37.5 11.6 26.2 36.5 266 266 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 6,-0.3 0.915 109.2 50.2 -64.4 -44.2 15.2 25.1 35.8 267 267 A A H X>S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 5,-0.8 0.911 110.6 51.7 -58.3 -43.1 15.6 23.9 39.4 268 268 A K H <5S+ 0 0 173 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.912 113.1 41.3 -61.5 -47.5 12.3 21.9 39.0 269 269 A V H <5S+ 0 0 27 -4,-2.1 58,-0.3 1,-0.2 -1,-0.2 0.708 121.4 41.5 -79.1 -20.4 13.2 20.1 35.8 270 270 A T H <5S- 0 0 6 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.672 104.7-122.9 -96.4 -21.7 16.8 19.3 36.9 271 271 A G T <5 + 0 0 59 -4,-1.9 -3,-0.2 1,-0.3 -4,-0.1 0.549 58.9 150.3 86.8 9.3 16.1 18.4 40.5 272 272 A A < - 0 0 18 -5,-0.8 -1,-0.3 -6,-0.3 -2,-0.1 -0.454 27.3-176.4 -73.2 147.9 18.5 21.1 41.7 273 273 A T + 0 0 134 -2,-0.1 2,-1.1 1,-0.1 -1,-0.1 0.649 60.6 85.0-116.7 -28.5 17.7 22.7 45.1 274 274 A D > - 0 0 88 1,-0.2 3,-1.7 -7,-0.1 6,-0.2 -0.680 57.5-168.2 -82.1 99.1 20.4 25.4 45.5 275 275 A L T 3 S+ 0 0 98 -2,-1.1 -1,-0.2 1,-0.3 -8,-0.0 0.411 81.5 63.2 -70.0 4.4 18.9 28.4 43.6 276 276 A S T 3 + 0 0 77 4,-0.0 -1,-0.3 5,-0.0 2,-0.1 0.528 69.9 117.9-105.5 -10.7 22.3 30.1 43.7 277 277 A N X> - 0 0 57 -3,-1.7 3,-1.5 1,-0.1 4,-0.7 -0.384 66.4-134.6 -61.3 131.0 24.3 27.6 41.6 278 278 A K H 3> S+ 0 0 46 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.746 99.2 70.0 -64.9 -24.3 25.6 29.3 38.5 279 279 A S H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.814 93.0 58.7 -61.2 -30.9 24.5 26.4 36.2 280 280 A L H <> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.891 107.7 45.4 -64.4 -39.9 20.9 27.4 36.9 281 281 A R H X S+ 0 0 64 -4,-0.7 4,-2.4 -3,-0.3 -2,-0.2 0.885 111.3 52.6 -70.8 -40.2 21.6 30.8 35.4 282 282 A V H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.938 112.3 44.9 -60.5 -47.3 23.5 29.4 32.4 283 283 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.892 111.2 53.1 -64.9 -40.8 20.6 27.0 31.6 284 284 A A H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.910 113.9 43.8 -60.9 -42.1 18.0 29.8 32.0 285 285 A D H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -196,-0.3 0.931 112.9 51.8 -64.1 -47.3 20.0 32.0 29.6 286 286 A H H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.840 102.2 57.2 -65.7 -36.1 20.6 29.1 27.2 287 287 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.888 105.4 54.7 -62.7 -34.2 16.9 28.1 26.8 288 288 A R H X S+ 0 0 0 -4,-1.0 4,-1.8 -3,-0.3 5,-0.2 0.963 113.9 37.5 -63.3 -52.3 16.2 31.7 25.7 289 289 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.940 120.8 46.6 -65.5 -45.2 18.8 31.7 22.9 290 290 A C H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.947 114.3 45.1 -63.8 -49.7 18.1 28.1 21.9 291 291 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.929 116.9 44.6 -62.0 -46.2 14.3 28.3 21.9 292 292 A F H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.4 -264,-0.2 0.864 110.3 54.4 -68.9 -35.9 14.1 31.6 20.0 293 293 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.2 -1,-0.2 0.928 111.3 45.6 -63.0 -43.4 16.7 30.6 17.4 294 294 A I H ><5S+ 0 0 6 -4,-2.1 3,-1.9 3,-0.2 -2,-0.2 0.915 110.0 54.4 -64.1 -42.2 14.7 27.4 16.6 295 295 A A H 3<5S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.860 107.2 52.1 -58.0 -35.2 11.5 29.5 16.5 296 296 A D T 3<5S- 0 0 26 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.243 132.6 -89.5 -90.1 12.1 13.2 31.8 14.0 297 297 A G T < 5S+ 0 0 58 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.389 77.2 139.9 106.9 -3.4 14.2 28.8 11.8 298 298 A V < - 0 0 9 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.575 30.2-165.0 -78.0 134.0 17.6 27.6 12.9 299 299 A M - 0 0 105 -2,-0.3 11,-0.2 59,-0.0 10,-0.1 -0.962 30.7-100.6-118.1 137.9 18.0 23.8 13.0 300 300 A P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.255 60.6 141.1 -57.3 138.2 20.9 22.0 14.8 301 301 A S - 0 0 32 5,-1.3 9,-0.2 3,-0.1 -3,-0.0 -0.898 62.1-101.0-159.5-175.2 23.7 21.0 12.5 302 302 A N S S+ 0 0 103 -2,-0.3 2,-0.3 8,-0.1 3,-0.0 0.171 95.3 66.1-105.9 17.3 27.4 20.7 12.2 303 303 A E S >> S- 0 0 121 0, 0.0 4,-1.2 0, 0.0 3,-0.9 -0.988 99.4 -41.3-139.4 147.7 27.8 23.9 10.1 304 304 A N H >> S+ 0 0 142 -2,-0.3 4,-1.5 1,-0.2 3,-0.5 0.009 121.6 1.9 45.1-127.5 27.4 27.6 10.4 305 305 A R H 3> S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 131.8 56.2 -61.6 -40.7 24.2 28.8 12.3 306 306 A G H <> S+ 0 0 7 -3,-0.9 4,-2.3 1,-0.2 -5,-1.3 0.816 105.7 51.9 -61.7 -32.4 23.1 25.3 13.1 307 307 A Y H S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 4,-0.5 0.893 106.2 52.7 -61.1 -40.9 22.1 20.0 33.5 321 321 A N H ><5S+ 0 0 48 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.918 105.7 52.7 -59.4 -46.3 24.3 17.0 34.0 322 322 A M H 3<5S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.834 107.5 52.8 -59.7 -32.6 26.4 18.8 36.5 323 323 A L T 3<5S- 0 0 25 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.580 123.8-107.8 -78.8 -10.9 23.3 19.7 38.4 324 324 A G T < 5 + 0 0 32 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.681 48.9 179.3 93.4 21.2 22.4 16.0 38.4 325 325 A A < - 0 0 21 -5,-2.6 -1,-0.2 1,-0.2 -55,-0.1 -0.361 11.1-166.3 -56.5 127.3 19.5 15.9 35.9 326 326 A K + 0 0 198 -56,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.720 63.9 25.5 -91.4 -25.4 18.3 12.3 35.6 327 327 A E S S- 0 0 136 -58,-0.3 -1,-0.1 -57,-0.0 0, 0.0 -0.875 103.6 -61.3-136.7 167.8 16.2 12.6 32.5 328 328 A T + 0 0 40 -2,-0.3 -2,-0.1 1,-0.2 32,-0.1 -0.270 63.3 154.2 -49.3 123.8 15.7 14.7 29.3 329 329 A F > + 0 0 3 -4,-0.1 3,-1.1 2,-0.1 4,-0.3 0.659 39.5 82.2-130.5 -29.4 15.0 18.1 30.7 330 330 A F G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.888 91.7 52.5 -62.6 -44.2 15.9 21.0 28.3 331 331 A Y G > S+ 0 0 56 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.733 96.5 71.2 -62.5 -22.6 12.8 21.0 26.1 332 332 A K G < S+ 0 0 72 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.592 87.4 65.8 -70.7 -9.7 10.6 21.1 29.3 333 333 A L G <> S+ 0 0 0 -3,-1.8 4,-1.9 -4,-0.3 -1,-0.3 0.488 77.6 82.4 -92.2 -4.3 11.7 24.7 29.7 334 334 A V H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.929 91.4 49.3 -65.4 -45.9 10.0 26.0 26.6 335 335 A G H > S+ 0 0 15 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.962 112.1 46.6 -55.4 -59.5 6.6 26.3 28.3 336 336 A P H > S+ 0 0 38 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.848 112.1 53.0 -49.5 -40.0 8.0 28.2 31.3 337 337 A L H >X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 3,-1.0 0.932 107.1 50.0 -65.5 -46.3 9.9 30.5 28.9 338 338 A I H >X S+ 0 0 14 -4,-2.6 4,-0.6 1,-0.2 3,-0.6 0.910 106.8 58.3 -55.3 -41.0 6.8 31.4 26.9 339 339 A D H 3< S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.696 112.0 38.2 -65.7 -22.1 5.0 32.2 30.3 340 340 A V H << S+ 0 0 29 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.545 103.5 69.4-104.6 -9.3 7.6 34.8 31.2 341 341 A M H X< S- 0 0 1 -4,-1.2 3,-1.3 -3,-0.6 5,-0.2 0.589 74.7-169.3 -88.9 -11.4 8.2 36.4 27.8 342 342 A G G >< - 0 0 42 -4,-0.6 3,-1.8 1,-0.3 -1,-0.2 -0.243 68.0 -14.4 56.6-141.1 4.8 38.1 27.3 343 343 A S G > S+ 0 0 68 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.747 131.3 70.1 -66.4 -22.6 4.2 39.5 23.9 344 344 A A G < S+ 0 0 20 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.595 95.4 55.7 -70.4 -10.0 7.9 39.2 23.0 345 345 A G G X> S+ 0 0 2 -3,-1.8 4,-2.9 -7,-0.2 3,-0.6 0.310 71.8 110.0-103.2 8.4 7.4 35.4 23.0 346 346 A E H <> S+ 0 0 130 -3,-1.5 4,-2.2 1,-0.3 5,-0.1 0.884 78.7 48.8 -51.1 -47.4 4.6 35.3 20.4 347 347 A D H 3> S+ 0 0 51 -4,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.826 114.2 47.0 -64.6 -31.7 6.8 33.7 17.7 348 348 A L H X4 S+ 0 0 0 -3,-0.6 3,-0.6 2,-0.2 7,-0.2 0.908 110.3 50.9 -75.1 -44.2 7.9 31.1 20.2 349 349 A K H >< S+ 0 0 126 -4,-2.9 3,-1.4 1,-0.2 4,-0.2 0.896 105.7 57.9 -59.0 -40.4 4.4 30.3 21.5 350 350 A R H 3< S+ 0 0 165 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.822 117.9 31.7 -59.0 -32.9 3.2 29.9 17.9 351 351 A Q T S+ 0 0 61 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 0.903 74.0 44.9 -51.0 -56.8 6.0 25.6 20.9 353 353 A A H > S+ 0 0 74 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 114.9 49.3 -59.2 -42.2 5.5 22.0 19.9 354 354 A Q H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 112.6 46.3 -62.6 -47.9 8.0 22.2 17.1 355 355 A V H X S+ 0 0 1 -4,-2.7 4,-2.2 -7,-0.2 5,-0.2 0.907 111.2 53.6 -63.1 -41.4 10.7 23.9 19.2 356 356 A E H X S+ 0 0 51 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.913 108.9 48.2 -58.4 -44.5 10.1 21.4 22.0 357 357 A Q H X S+ 0 0 104 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.899 109.8 51.7 -67.4 -40.0 10.7 18.4 19.6 358 358 A V H X S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.929 114.1 43.8 -60.3 -46.2 13.9 19.9 18.2 359 359 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.875 113.7 50.7 -66.8 -39.7 15.3 20.4 21.6 360 360 A K H X S+ 0 0 56 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.943 112.1 47.2 -63.8 -48.2 14.2 17.0 22.9 361 361 A T H X S+ 0 0 73 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.907 112.0 49.9 -59.0 -45.6 15.7 15.3 19.8 362 362 A E H X S+ 0 0 8 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.903 112.3 46.8 -64.0 -41.9 19.0 17.2 20.2 363 363 A E H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 112.6 49.6 -66.1 -44.1 19.4 16.3 23.9 364 364 A E H X S+ 0 0 75 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.900 111.5 50.3 -59.8 -41.8 18.5 12.7 23.3 365 365 A Q H >< S+ 0 0 82 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.922 112.4 45.7 -62.2 -45.6 21.1 12.6 20.5 366 366 A F H >X S+ 0 0 1 -4,-2.3 3,-2.2 1,-0.2 4,-1.8 0.844 101.0 67.3 -68.1 -33.5 23.8 14.1 22.7 367 367 A A H 3< S+ 0 0 62 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.698 84.1 74.9 -61.3 -18.7 23.0 11.8 25.6 368 368 A R T << S+ 0 0 162 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.771 119.0 11.7 -62.5 -24.7 24.3 9.0 23.5 369 369 A T T <> S+ 0 0 24 -3,-2.2 4,-2.6 -4,-0.2 5,-0.2 0.480 103.5 93.3-130.1 -9.4 27.8 10.3 24.2 370 370 A L H X S+ 0 0 9 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.958 92.6 36.5 -57.9 -61.6 27.6 12.8 27.0 371 371 A E H > S+ 0 0 137 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.907 118.6 51.2 -61.5 -42.1 28.2 10.7 30.1 372 372 A R H > S+ 0 0 164 -5,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 111.9 47.4 -61.4 -41.0 30.7 8.5 28.4 373 373 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.873 110.8 51.0 -68.7 -38.0 32.7 11.6 27.1 374 374 A L H X S+ 0 0 16 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.881 107.7 54.1 -65.7 -37.7 32.6 13.2 30.6 375 375 A A H X S+ 0 0 59 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.923 110.3 46.5 -60.2 -45.2 33.9 9.9 32.0 376 376 A L H X S+ 0 0 21 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.924 111.9 50.5 -62.2 -46.2 36.9 10.1 29.6 377 377 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.920 110.5 49.4 -59.7 -44.8 37.5 13.7 30.3 378 378 A D H X S+ 0 0 67 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.909 110.7 51.2 -58.4 -43.9 37.5 13.0 34.1 379 379 A E H X S+ 0 0 105 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.919 113.1 44.3 -58.6 -47.1 40.0 10.1 33.5 380 380 A E H < S+ 0 0 33 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.855 114.4 48.8 -68.7 -36.8 42.3 12.4 31.5 381 381 A L H >< S+ 0 0 25 -4,-2.6 3,-0.8 -5,-0.2 -1,-0.2 0.842 103.5 61.2 -71.4 -34.2 42.1 15.3 33.9 382 382 A A H 3< S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 115.4 32.6 -64.0 -29.8 42.8 13.0 36.9 383 383 A K T 3< S+ 0 0 143 -4,-0.9 -1,-0.3 -3,-0.2 2,-0.2 0.287 92.2 127.4-109.0 7.2 46.2 12.0 35.5 384 384 A L < - 0 0 46 -3,-0.8 2,-0.6 -4,-0.2 5,-0.1 -0.460 47.2-152.4 -71.4 132.0 46.9 15.4 33.9 385 385 A S + 0 0 116 -2,-0.2 2,-0.2 3,-0.1 3,-0.2 -0.932 63.7 11.1-104.9 118.2 50.2 17.1 34.7 386 386 A G S S- 0 0 55 -2,-0.6 -2,-0.0 1,-0.1 3,-0.0 -0.611 96.1 -72.8 110.2-173.3 50.0 20.8 34.4 387 387 A D S S+ 0 0 79 -2,-0.2 31,-3.7 30,-0.1 2,-0.4 0.241 102.3 75.8-107.5 12.0 47.1 23.3 33.9 388 388 A T E S-o 418 0E 48 29,-0.2 2,-0.2 -3,-0.2 31,-0.2 -0.974 70.0-135.3-136.3 121.4 46.3 22.6 30.3 389 389 A L E -o 419 0E 0 29,-3.3 31,-2.6 -2,-0.4 -8,-0.0 -0.536 39.0-109.6 -68.4 133.4 44.4 19.7 28.6 390 390 A D > - 0 0 60 -2,-0.2 4,-1.7 29,-0.2 3,-0.3 -0.283 16.9-123.7 -66.8 151.3 46.2 18.5 25.5 391 391 A G H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.763 107.8 62.5 -67.9 -28.5 44.8 19.1 22.1 392 392 A E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 106.5 44.9 -62.3 -43.5 44.7 15.4 21.2 393 393 A T H > S+ 0 0 3 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.895 112.1 51.5 -67.7 -42.5 42.3 14.7 24.0 394 394 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.906 112.0 47.7 -58.7 -41.6 40.1 17.7 23.1 395 395 A F H X S+ 0 0 18 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.862 108.6 53.8 -70.8 -35.1 40.0 16.5 19.5 396 396 A R H X>S+ 0 0 101 -4,-2.1 4,-2.7 2,-0.2 5,-0.8 0.903 108.1 49.9 -63.7 -41.0 39.1 13.0 20.6 397 397 A L H X5S+ 0 0 0 -4,-2.3 6,-2.2 3,-0.2 4,-0.7 0.879 115.8 44.7 -63.8 -36.4 36.2 14.3 22.6 398 398 A Y H X5S+ 0 0 76 -4,-1.7 4,-1.0 4,-0.3 -2,-0.2 0.947 120.1 37.8 -68.7 -51.4 35.2 16.3 19.5 399 399 A D H <5S+ 0 0 85 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.880 129.5 27.8 -76.1 -40.2 35.6 13.5 17.0 400 400 A T H <5S+ 0 0 80 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.1 0.874 133.8 27.3 -88.5 -40.2 34.4 10.5 19.0 401 401 A Y H <> - 0 0 1 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.392 24.1-116.1 -59.8 147.2 32.5 21.0 20.7 405 405 A V H 3> S+ 0 0 26 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.845 115.8 54.7 -58.1 -34.4 35.9 22.3 21.8 406 406 A D H 3> S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.767 105.1 53.6 -71.3 -25.0 34.3 25.2 23.7 407 407 A L H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.926 110.7 46.0 -70.7 -46.4 32.1 22.8 25.6 408 408 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.917 112.7 51.0 -58.6 -44.3 35.2 20.9 26.7 409 409 A A H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.856 107.1 54.7 -62.6 -35.8 36.9 24.2 27.6 410 410 A D H X S+ 0 0 3 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.907 109.5 45.7 -64.9 -45.1 33.8 25.1 29.6 411 411 A V H < S+ 0 0 1 -4,-2.0 3,-0.4 1,-0.2 4,-0.4 0.934 115.2 47.7 -61.5 -46.2 34.0 22.0 31.7 412 412 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-1.7 0.867 104.3 60.3 -64.9 -37.3 37.8 22.4 32.2 413 413 A R H ><5S+ 0 0 112 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.846 95.9 61.8 -60.1 -35.9 37.4 26.1 33.2 414 414 A E T 3<5S+ 0 0 46 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.666 109.3 42.4 -62.9 -18.1 35.2 25.1 36.1 415 415 A R T < 5S- 0 0 115 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.111 121.1-106.3-115.5 18.5 38.3 23.2 37.4 416 416 A N T < 5S+ 0 0 144 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.830 77.6 135.1 58.8 35.8 40.8 25.9 36.6 417 417 A I < - 0 0 34 -5,-2.6 -29,-0.2 -8,-0.1 -1,-0.2 -0.944 43.2-147.2-115.5 136.0 42.1 23.9 33.7 418 418 A K E -o 388 0E 127 -31,-3.7 -29,-3.3 -2,-0.4 2,-0.4 -0.465 10.9-128.8 -91.3 168.5 42.9 25.4 30.2 419 419 A V E -o 389 0E 19 -31,-0.2 2,-1.6 -2,-0.1 -29,-0.2 -0.979 18.8-123.5-119.0 133.8 42.6 23.7 26.8 420 420 A D > + 0 0 68 -31,-2.6 4,-1.9 -2,-0.4 5,-0.1 -0.601 33.4 178.0 -74.4 90.3 45.4 23.7 24.3 421 421 A E H > S+ 0 0 69 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.842 78.0 54.8 -64.7 -37.6 43.4 25.3 21.4 422 422 A A H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 108.8 49.6 -63.4 -38.3 46.4 25.3 19.1 423 423 A G H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.875 109.7 50.7 -66.3 -40.4 46.8 21.6 19.7 424 424 A F H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.916 112.3 46.8 -62.0 -44.5 43.1 21.0 19.0 425 425 A E H X S+ 0 0 116 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.858 109.8 53.7 -68.2 -35.5 43.4 23.0 15.7 426 426 A A H X S+ 0 0 45 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.899 109.5 48.6 -63.0 -41.9 46.6 21.1 14.8 427 427 A A H X S+ 0 0 12 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.875 111.2 49.7 -65.9 -39.7 44.7 17.8 15.3 428 428 A M H X S+ 0 0 86 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.914 111.6 48.6 -64.7 -43.1 41.8 19.0 13.1 429 429 A E H X S+ 0 0 79 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.891 108.2 54.4 -64.3 -40.7 44.2 20.1 10.4 430 430 A E H X S+ 0 0 112 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.910 110.7 45.9 -59.0 -42.7 46.0 16.7 10.5 431 431 A Q H X S+ 0 0 66 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.879 109.0 55.6 -68.4 -38.3 42.6 15.0 10.0 432 432 A R H X S+ 0 0 114 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.910 107.4 50.0 -58.2 -42.7 41.7 17.4 7.2 433 433 A R H X S+ 0 0 146 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.868 108.7 51.8 -64.5 -38.3 45.0 16.5 5.4 434 434 A R H X S+ 0 0 141 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.905 109.3 50.4 -64.1 -41.1 44.2 12.8 5.8 435 435 A A H X S+ 0 0 59 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 111.8 47.7 -63.1 -42.3 40.7 13.4 4.2 436 436 A R H X S+ 0 0 147 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 111.7 49.6 -63.7 -44.3 42.4 15.3 1.3 437 437 A E H < S+ 0 0 162 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 116.0 42.3 -63.8 -41.2 45.0 12.5 0.7 438 438 A A H < S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.875 115.5 47.7 -74.2 -38.1 42.3 9.8 0.7 439 439 A S H < S- 0 0 94 -4,-2.3 2,-0.2 -5,-0.2 -2,-0.2 0.827 92.7-168.2 -75.5 -31.0 39.7 11.6 -1.4 440 440 A G < 0 0 45 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.530 360.0 360.0 82.9-144.6 42.2 12.7 -4.0 441 441 A F 0 0 277 -2,-0.2 -4,-0.0 -4,-0.1 0, 0.0 -0.258 360.0 360.0 -60.5 360.0 41.6 15.2 -6.8