==== 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 3HXU . COMPND 2 MOLECULE: ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GUO,X.-L.YANG,P.SCHIMMEL . 442 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 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 . 0 0.0 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 . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 34.8 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 1 1 0 0 2 2 0 1 0 2 2 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0.000 360.0 360.0 360.0 168.3 8.0 47.7 41.1 2 2 A K - 0 0 102 245,-0.2 2,-0.0 1,-0.1 245,-0.0 -0.469 360.0-125.2 -74.9 141.1 7.4 47.2 37.3 3 3 A S > - 0 0 34 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.295 31.0-102.9 -72.9 167.3 7.6 43.7 35.8 4 4 A T H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 124.5 52.3 -58.9 -40.8 9.9 43.1 32.8 5 5 A A H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 109.2 48.7 -63.0 -40.0 6.8 43.2 30.5 6 6 A E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.847 111.0 50.6 -69.2 -35.3 5.7 46.5 31.9 7 7 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 109.4 50.6 -67.6 -46.2 9.2 48.0 31.5 8 8 A R H X S+ 0 0 11 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.924 114.8 44.2 -54.1 -46.9 9.3 46.8 27.9 9 9 A Q H X S+ 0 0 92 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.874 110.7 53.3 -69.6 -39.2 5.9 48.4 27.2 10 10 A A H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.883 107.3 52.4 -65.4 -39.3 6.8 51.6 29.0 11 11 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.940 113.5 43.4 -58.9 -48.2 9.9 52.1 26.9 12 12 A L H X S+ 0 0 21 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.884 112.4 52.7 -67.8 -39.5 7.9 51.6 23.7 13 13 A D H X S+ 0 0 77 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.896 107.0 54.3 -60.5 -42.5 5.1 53.9 25.0 14 14 A F H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.957 113.0 40.0 -57.3 -53.5 7.7 56.6 25.8 15 15 A F H <>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 3,-0.4 0.862 113.0 54.9 -70.5 -33.4 9.2 56.7 22.3 16 16 A H H ><5S+ 0 0 116 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.913 105.4 53.4 -60.1 -42.8 5.8 56.3 20.6 17 17 A S H 3<5S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.708 105.3 56.7 -65.1 -18.4 4.6 59.4 22.6 18 18 A K T 3<5S- 0 0 70 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.067 130.5 -94.5 -99.5 22.3 7.7 61.1 21.1 19 19 A G T < 5S+ 0 0 55 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.573 76.5 145.4 83.2 10.5 6.6 60.4 17.5 20 20 A H < - 0 0 2 -5,-2.6 2,-0.4 -6,-0.1 41,-0.3 -0.675 51.1-122.6 -85.8 132.9 8.5 57.1 17.0 21 21 A Q E -a 61 0A 98 39,-2.4 41,-2.3 -2,-0.4 2,-0.6 -0.587 24.5-130.0 -69.3 123.6 7.0 54.4 14.9 22 22 A V E -a 62 0A 60 -2,-0.4 2,-0.4 39,-0.2 41,-0.2 -0.688 30.5-171.9 -76.7 120.7 6.7 51.2 16.9 23 23 A V - 0 0 24 39,-2.4 41,-0.4 -2,-0.6 3,-0.1 -0.927 23.7-110.3-117.3 141.3 8.2 48.4 14.8 24 24 A A - 0 0 79 -2,-0.4 41,-0.1 1,-0.1 39,-0.0 -0.326 40.9 -94.0 -67.1 147.6 8.1 44.7 15.6 25 25 A S - 0 0 36 39,-0.3 -1,-0.1 1,-0.1 40,-0.1 -0.324 43.2-127.2 -52.0 138.9 11.2 42.8 16.6 26 26 A S - 0 0 26 1,-0.2 40,-0.4 40,-0.1 -1,-0.1 -0.355 33.1 -86.2 -77.6 170.8 12.8 41.1 13.6 27 27 A S - 0 0 41 2,-0.2 -1,-0.2 1,-0.1 266,-0.1 -0.254 32.1-117.0 -64.9 163.8 13.7 37.5 13.6 28 28 A L S S+ 0 0 0 264,-0.2 11,-2.2 1,-0.1 40,-0.1 0.562 101.6 65.1 -76.1 -11.4 17.1 36.3 15.0 29 29 A V S S- 0 0 35 9,-0.2 -2,-0.2 267,-0.1 2,-0.1 -0.944 77.6-144.3-122.0 114.7 17.9 35.0 11.5 30 30 A P - 0 0 29 0, 0.0 -2,-0.0 0, 0.0 15,-0.0 -0.458 9.3-166.6 -74.5 146.9 18.4 37.4 8.5 31 31 A H S S+ 0 0 174 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 0.689 89.1 36.0 -97.2 -27.1 17.3 36.4 5.1 32 32 A N S S+ 0 0 146 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.054 96.2 82.1-123.2 31.5 19.1 39.2 3.3 33 33 A D > - 0 0 20 3,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.756 43.7-179.4-138.3 95.1 22.4 39.8 5.2 34 34 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.670 83.6 58.6 -64.4 -19.3 25.3 37.4 4.3 35 35 A T T 3 S+ 0 0 89 1,-0.0 2,-0.5 2,-0.0 139,-0.2 0.523 92.2 82.1 -87.9 -6.7 27.6 39.1 6.8 36 36 A L < - 0 0 14 -3,-1.6 -3,-0.2 1,-0.2 3,-0.1 -0.885 48.5-176.4-113.7 120.0 25.3 38.5 9.8 37 37 A L S S- 0 0 45 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.993 76.9 -9.3 -70.1 -70.3 25.2 35.2 11.8 38 38 A F S S- 0 0 6 33,-0.2 -1,-0.3 30,-0.2 -9,-0.2 -0.958 87.6 -85.8-127.7 152.4 22.4 36.1 14.2 39 39 A T + 0 0 4 -11,-2.2 29,-2.7 -2,-0.3 3,-0.1 -0.366 48.7 170.9 -53.9 120.3 20.6 39.4 15.0 40 40 A N + 0 0 7 27,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.443 56.9 25.3-117.1 -4.6 22.9 41.1 17.6 41 41 A A S > S- 0 0 0 25,-0.2 3,-1.2 1,-0.1 4,-0.3 -0.990 74.4-112.9-155.6 157.3 21.3 44.5 17.8 42 42 A G G > S+ 0 0 0 -2,-0.3 3,-0.6 1,-0.2 4,-0.2 0.809 112.7 62.2 -59.2 -30.9 18.0 46.4 17.3 43 43 A M G > S+ 0 0 0 1,-0.2 3,-1.9 2,-0.1 -1,-0.2 0.656 77.0 89.7 -73.3 -15.5 19.6 48.3 14.3 44 44 A N G X S+ 0 0 13 -3,-1.2 3,-1.5 1,-0.3 4,-0.2 0.868 86.5 49.2 -51.1 -46.4 20.2 45.2 12.2 45 45 A Q G < S+ 0 0 55 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.601 114.0 47.5 -73.5 -9.2 16.8 45.3 10.5 46 46 A F G X> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.2 3,-0.8 0.177 76.3 114.9-110.7 12.8 17.3 49.0 9.7 47 47 A K H <> S+ 0 0 24 -3,-1.5 4,-1.7 1,-0.3 6,-0.1 0.896 77.8 47.6 -50.0 -48.9 20.9 48.5 8.3 48 48 A D H 34>S+ 0 0 82 -4,-0.2 5,-2.2 2,-0.2 6,-1.7 0.744 107.7 56.9 -68.8 -25.0 19.9 49.5 4.8 49 49 A V H X45S+ 0 0 16 -3,-0.8 3,-1.1 4,-0.2 -1,-0.2 0.946 107.7 47.1 -68.5 -47.8 18.1 52.6 6.1 50 50 A F H 3<5S+ 0 0 3 -4,-2.2 181,-0.4 1,-0.3 -2,-0.2 0.845 111.2 53.0 -58.9 -34.5 21.3 53.8 7.8 51 51 A L T 3<5S- 0 0 28 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.618 113.0-122.1 -76.5 -13.4 23.1 53.1 4.6 52 52 A G T < 5S+ 0 0 52 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.602 85.3 112.0 81.1 12.8 20.6 55.2 2.7 53 53 A L S S+L 74 0B 17 3,-0.9 3,-0.6 -3,-0.1 -1,-0.3 -0.910 96.5 43.6 166.6 169.3 29.2 34.3 17.6 72 72 A G T 3 S- 0 0 65 -2,-0.3 3,-0.1 1,-0.2 -36,-0.1 -0.443 115.0 -18.8 73.5-146.8 30.3 36.8 15.0 73 73 A K T 3 S+ 0 0 84 1,-0.2 2,-0.6 99,-0.2 -1,-0.2 0.885 137.9 40.9 -64.2 -42.7 31.3 40.3 15.9 74 74 A H E < S+L 71 0B 33 -3,-0.6 -3,-0.9 98,-0.2 2,-0.4 -0.922 70.2 161.8-117.0 109.9 29.5 40.3 19.3 75 75 A N E +L 70 0B 76 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.2 -0.942 13.5 161.5-136.3 108.9 29.9 37.1 21.3 76 76 A D >> + 0 0 24 -7,-2.5 3,-1.4 -2,-0.4 4,-0.9 0.175 41.0 115.7-113.2 15.8 29.2 36.9 25.0 77 77 A L G >4 S+ 0 0 1 1,-0.3 3,-0.8 -8,-0.2 -1,-0.1 0.875 76.3 50.6 -52.8 -44.6 28.8 33.1 25.3 78 78 A E G 34 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.601 104.8 59.0 -76.5 -9.4 31.8 32.6 27.5 79 79 A N G X> S+ 0 0 59 -3,-1.4 3,-2.3 8,-0.1 4,-1.0 0.703 78.3 112.7 -84.2 -23.9 30.6 35.4 29.9 80 80 A V T << S+ 0 0 7 -4,-0.9 7,-0.1 -3,-0.8 202,-0.1 -0.280 87.0 10.3 -60.2 126.8 27.4 33.6 30.7 81 81 A G T 34 S+ 0 0 5 2,-0.5 -1,-0.3 5,-0.4 201,-0.1 0.224 118.2 76.3 88.8 -13.5 27.2 32.4 34.3 82 82 A Y T <4 S+ 0 0 103 -3,-2.3 2,-0.3 4,-0.1 -2,-0.2 0.588 96.7 37.6-104.2 -15.9 30.4 34.4 35.2 83 83 A T S < S- 0 0 21 -4,-1.0 -2,-0.5 3,-0.2 3,-0.1 -0.910 71.4-130.0-131.0 163.5 28.8 37.9 35.3 84 84 A A S S+ 0 0 17 -2,-0.3 169,-2.7 1,-0.2 170,-0.3 0.492 105.1 45.3 -83.8 -2.8 25.5 39.3 36.5 85 85 A R S S+ 0 0 28 167,-0.2 2,-0.4 168,-0.1 -1,-0.2 0.515 87.2 89.7-124.9 -11.1 25.0 41.2 33.2 86 86 A H + 0 0 19 -7,-0.2 -5,-0.4 -3,-0.1 2,-0.3 -0.829 40.0 165.5-105.2 132.3 25.8 39.0 30.2 87 87 A H - 0 0 2 -2,-0.4 -11,-0.2 1,-0.2 3,-0.1 -0.817 37.8-138.9-123.1 168.9 23.4 36.7 28.3 88 88 A T S S+ 0 0 0 1,-0.3 -19,-2.5 -2,-0.3 2,-0.4 0.854 100.6 36.9 -82.9 -55.3 23.4 34.9 24.9 89 89 A F E S+B 68 0A 0 196,-0.3 -1,-0.3 -21,-0.2 2,-0.3 -0.818 79.0 144.4 -97.0 131.3 19.8 35.9 24.3 90 90 A F E -B 67 0A 1 -23,-2.1 -23,-2.9 -2,-0.4 2,-0.5 -0.984 45.5-109.8-156.4 162.8 18.5 39.3 25.4 91 91 A E E -B 66 0A 5 -2,-0.3 149,-2.6 -25,-0.2 2,-0.6 -0.866 24.0-153.8 -99.5 131.3 16.1 42.0 24.4 92 92 A M E -BC 65 239A 0 -27,-2.9 -27,-2.6 -2,-0.5 2,-0.6 -0.918 6.7-148.8-105.4 117.7 17.5 45.4 23.3 93 93 A L E +BC 64 238A 0 145,-3.6 145,-2.7 -2,-0.6 2,-0.3 -0.754 31.6 178.4 -84.6 121.7 15.3 48.4 23.8 94 94 A G E -B 63 0A 0 -31,-2.7 -31,-1.6 -2,-0.6 2,-0.4 -0.937 31.9-166.3-135.0 148.6 16.0 50.9 21.0 95 95 A N E -B 62 0A 0 -2,-0.3 141,-1.9 -33,-0.2 2,-0.4 -0.976 20.4-162.6-124.2 146.9 15.1 54.2 19.4 96 96 A F E -BD 61 235A 0 -35,-2.8 -35,-1.9 -2,-0.4 2,-0.5 -0.982 14.1-162.2-135.4 136.9 16.3 55.1 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 5.9-163.7-118.5 117.7 16.6 58.4 14.0 98 98 A F S S- 0 0 24 -39,-3.0 135,-0.1 -2,-0.5 -42,-0.1 -0.720 81.4 -42.2-101.1 82.8 17.0 58.0 10.3 99 99 A G S S+ 0 0 38 -2,-1.0 -1,-0.2 133,-0.2 134,-0.1 0.839 122.0 104.7 62.9 33.7 18.3 61.5 9.3 100 100 A D S S- 0 0 62 1,-0.5 2,-0.2 -41,-0.2 -40,-0.1 0.684 82.2 -6.1-104.9 -95.6 15.8 63.0 11.7 101 101 A Y - 0 0 16 1,-0.1 -1,-0.5 133,-0.1 -2,-0.2 -0.499 69.0-164.7 -95.0 172.9 17.2 64.3 15.0 102 102 A F > - 0 0 59 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.222 43.3 -24.8-134.3-136.9 20.8 63.9 16.2 103 103 A K H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.875 123.5 42.3 -56.2 -56.8 23.2 64.1 19.2 104 104 A L H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.941 118.3 44.4 -62.0 -48.4 21.5 66.5 21.6 105 105 A D H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.841 111.2 53.7 -68.8 -32.6 18.0 65.2 21.2 106 106 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.935 112.7 44.7 -63.4 -46.0 19.1 61.5 21.4 107 107 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.920 113.4 50.8 -63.4 -43.2 20.8 62.3 24.7 108 108 A L H X S+ 0 0 67 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.895 108.7 50.8 -63.2 -43.0 17.9 64.3 26.0 109 109 A F H X S+ 0 0 29 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.930 113.2 46.2 -57.9 -47.8 15.3 61.5 25.2 110 110 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.930 113.8 46.7 -63.5 -47.5 17.4 58.9 27.0 111 111 A W H X S+ 0 0 27 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.883 111.8 52.7 -63.4 -38.5 18.1 61.1 30.1 112 112 A L H X S+ 0 0 67 -4,-2.4 4,-2.4 -5,-0.2 9,-0.3 0.957 110.6 45.1 -62.4 -52.4 14.4 62.0 30.3 113 113 A L H < S+ 0 0 0 -4,-2.3 7,-2.5 1,-0.2 8,-0.3 0.914 119.1 43.7 -57.6 -43.8 13.1 58.4 30.2 114 114 A L H < S+ 0 0 0 -4,-2.2 8,-3.3 -5,-0.2 -1,-0.2 0.892 129.0 19.5 -70.0 -41.5 15.7 57.3 32.7 115 115 A T H < S+ 0 0 14 -4,-2.6 -3,-0.2 6,-0.3 -2,-0.2 0.547 86.8 113.8-116.4 -11.6 15.5 60.2 35.3 116 116 A S ><> - 0 0 22 -4,-2.4 5,-1.5 -5,-0.3 3,-1.3 -0.401 65.3-132.2 -65.9 140.9 12.2 62.1 34.9 117 117 A E T 3 5S+ 0 0 175 1,-0.3 -1,-0.1 3,-0.1 -5,-0.0 0.758 110.3 56.5 -59.6 -26.2 9.8 61.8 37.8 118 118 A K T 3 5S+ 0 0 166 -6,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.641 119.3 24.2 -80.9 -16.5 7.2 61.0 35.2 119 119 A W T < 5S- 0 0 83 -3,-1.3 -5,-0.1 -7,-0.2 -6,-0.1 0.229 129.5 -22.9-119.1-121.9 9.1 58.1 33.8 120 120 A F T 5 - 0 0 18 -7,-2.5 -6,-0.2 -8,-0.2 -5,-0.2 0.731 67.1-156.5 -74.2 -20.9 11.7 55.7 35.2 121 121 A A < + 0 0 55 -5,-1.5 -6,-0.3 -8,-0.3 -7,-0.1 0.811 19.3 179.5 51.8 39.8 12.8 58.2 37.9 122 122 A L - 0 0 8 -8,-3.3 2,-0.5 -9,-0.1 -1,-0.2 -0.451 41.4 -96.9 -67.2 142.7 16.3 56.8 38.4 123 123 A P > - 0 0 45 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.503 31.8-149.1 -61.9 114.9 18.5 58.6 41.0 124 124 A K G > S+ 0 0 109 -2,-0.5 3,-1.9 1,-0.3 -2,-0.1 0.833 90.9 65.2 -57.6 -36.8 20.6 60.9 38.8 125 125 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 23,-0.0 -3,-0.0 0.680 97.8 55.6 -62.7 -18.7 23.6 60.8 41.2 126 126 A R G < S+ 0 0 83 -3,-1.7 61,-2.5 2,-0.0 2,-0.4 0.393 89.4 96.6 -95.1 3.2 24.1 57.1 40.5 127 127 A L E < -E 186 0A 0 -3,-1.9 2,-0.3 59,-0.2 59,-0.2 -0.814 48.9-177.8-102.4 132.0 24.4 57.6 36.7 128 128 A W E -E 185 0A 42 57,-2.4 57,-3.4 -2,-0.4 2,-0.3 -0.880 8.6-154.9-119.8 154.0 27.7 57.9 34.9 129 129 A V E -Ef 184 153A 0 23,-2.6 25,-2.9 -2,-0.3 2,-0.4 -0.967 3.7-157.0-131.2 148.5 28.4 58.5 31.2 130 130 A T E -Ef 183 154A 1 53,-2.1 53,-1.3 -2,-0.3 2,-0.3 -0.936 10.0-172.0-116.8 146.9 31.2 57.7 28.8 131 131 A V E - 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0 0 20 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.788 59.0-141.1-121.6 170.5 18.3 44.0 42.4 251 251 A N S S+ 0 0 51 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 0.709 77.7 62.3-106.0 -25.9 21.9 43.8 41.2 252 252 A S S > S- 0 0 19 1,-0.1 3,-1.7 -7,-0.1 4,-0.2 -0.819 72.1-135.0-106.1 142.3 21.9 40.8 38.9 253 253 A N G > S+ 0 0 2 -169,-2.7 3,-1.4 -2,-0.4 6,-0.4 0.833 108.7 62.3 -53.6 -34.0 19.9 40.3 35.7 254 254 A Y G 3 S+ 0 0 3 -170,-0.3 -1,-0.3 1,-0.3 9,-0.2 0.525 94.5 61.5 -77.7 -3.1 19.2 36.8 37.0 255 255 A D G < S+ 0 0 71 -3,-1.7 -1,-0.3 -171,-0.2 -2,-0.2 0.389 79.5 107.4-100.7 0.1 17.3 38.3 40.0 256 256 A I S <> S- 0 0 0 -3,-1.4 4,-2.5 -4,-0.2 5,-0.2 -0.349 88.7-101.1 -72.5 163.1 14.7 40.0 37.9 257 257 A D H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.882 119.9 54.8 -52.2 -45.6 11.1 38.5 37.9 258 258 A L H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 114.5 37.7 -55.4 -52.0 11.6 36.8 34.5 259 259 A F H > S+ 0 0 0 -6,-0.4 4,-3.0 2,-0.2 5,-0.2 0.807 109.8 60.5 -76.7 -30.2 14.7 34.9 35.5 260 260 A R H X S+ 0 0 131 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.934 111.0 42.2 -59.3 -45.5 13.6 34.1 39.1 261 261 A T H X S+ 0 0 71 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.906 116.2 48.1 -66.8 -43.6 10.7 32.2 37.7 262 262 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.899 109.8 51.6 -66.0 -42.2 12.7 30.6 34.9 263 263 A I H X S+ 0 0 17 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.853 106.2 55.5 -64.2 -35.3 15.5 29.5 37.3 264 264 A Q H X S+ 0 0 118 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.895 107.3 50.1 -60.6 -41.0 12.8 27.9 39.6 265 265 A A H X S+ 0 0 16 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.866 108.1 53.0 -66.0 -36.9 11.7 25.9 36.6 266 266 A V H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 6,-0.3 0.909 108.4 49.6 -64.6 -42.8 15.2 24.8 35.9 267 267 A A H X>S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 5,-0.6 0.903 109.6 53.8 -61.6 -41.2 15.7 23.6 39.5 268 268 A K H <5S+ 0 0 179 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.918 113.0 39.8 -59.0 -48.6 12.4 21.7 39.2 269 269 A V H <5S+ 0 0 32 -4,-2.0 58,-0.3 1,-0.2 -1,-0.2 0.723 121.6 41.9 -80.3 -21.6 13.3 19.7 36.0 270 270 A T H <5S- 0 0 6 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.639 104.3-124.2 -96.0 -18.9 16.9 19.0 37.0 271 271 A G T <5 + 0 0 57 -4,-1.8 -3,-0.2 1,-0.3 -4,-0.1 0.526 58.2 150.2 84.4 7.0 16.2 18.2 40.6 272 272 A A < - 0 0 18 -5,-0.6 -1,-0.3 -6,-0.3 -2,-0.1 -0.385 27.5-176.7 -70.3 150.7 18.6 20.8 41.9 273 273 A T + 0 0 133 1,-0.1 2,-1.1 -3,-0.1 -1,-0.1 0.631 60.6 86.4-118.9 -29.7 17.9 22.5 45.2 274 274 A D > - 0 0 89 1,-0.2 3,-1.6 -7,-0.1 6,-0.2 -0.654 56.7-169.8 -78.7 99.1 20.7 25.1 45.5 275 275 A L T 3 S+ 0 0 96 -2,-1.1 -1,-0.2 1,-0.3 -8,-0.0 0.465 80.3 64.8 -70.4 -0.3 19.1 28.0 43.7 276 276 A S T 3 S+ 0 0 78 4,-0.0 -1,-0.3 5,-0.0 2,-0.1 0.521 70.1 118.0 -99.9 -9.0 22.5 29.8 43.8 277 277 A N X> - 0 0 58 -3,-1.6 3,-1.3 1,-0.1 4,-0.7 -0.397 65.7-136.6 -62.4 131.6 24.4 27.3 41.6 278 278 A K H 3> S+ 0 0 42 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.742 98.3 70.4 -65.2 -23.8 25.6 29.0 38.5 279 279 A S H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.799 92.8 58.0 -63.3 -30.2 24.5 26.1 36.3 280 280 A L H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.895 108.8 45.0 -64.8 -40.7 20.9 27.1 36.9 281 281 A R H X S+ 0 0 63 -4,-0.7 4,-2.3 -3,-0.2 -2,-0.2 0.878 111.5 52.3 -69.4 -41.0 21.6 30.5 35.5 282 282 A V H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.927 113.3 44.3 -60.5 -44.7 23.5 29.1 32.5 283 283 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.899 111.0 53.1 -68.6 -41.8 20.6 26.8 31.7 284 284 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.901 114.3 44.0 -59.2 -41.5 18.0 29.6 32.1 285 285 A D H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.5 0.935 112.3 52.0 -64.7 -48.1 20.0 31.7 29.7 286 286 A H H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.813 101.8 57.9 -66.1 -34.1 20.6 28.9 27.2 287 287 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.876 104.8 54.6 -63.2 -33.4 16.9 27.8 26.9 288 288 A R H X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.5 5,-0.3 0.968 113.8 38.0 -64.7 -52.6 16.2 31.4 25.8 289 289 A S H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.935 120.6 46.8 -64.2 -44.7 18.7 31.4 22.9 290 290 A C H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.942 114.4 44.3 -64.4 -49.8 18.1 27.8 21.9 291 291 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.900 116.6 45.4 -64.8 -42.4 14.3 27.9 21.9 292 292 A F H X S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.4 -264,-0.2 0.883 110.2 53.9 -70.9 -37.9 14.0 31.3 20.1 293 293 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 -5,-0.3 -2,-0.2 0.913 111.8 45.4 -61.0 -43.5 16.7 30.3 17.5 294 294 A I H ><5S+ 0 0 9 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.913 110.6 53.4 -64.4 -43.3 14.7 27.2 16.7 295 295 A A H 3<5S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.832 108.1 52.2 -59.1 -32.3 11.4 29.2 16.6 296 296 A D T 3<5S- 0 0 24 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.290 132.6 -88.8 -91.8 8.3 13.2 31.5 14.1 297 297 A G T < 5S+ 0 0 57 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.416 77.8 137.9 109.9 -0.9 14.1 28.6 11.8 298 298 A V < - 0 0 9 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.1 -0.622 30.9-165.1 -80.8 132.8 17.5 27.3 13.0 299 299 A M - 0 0 104 -2,-0.3 11,-0.2 59,-0.0 10,-0.1 -0.943 30.9-100.4-115.2 140.6 17.9 23.5 13.0 300 300 A P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.300 60.6 139.2 -58.4 138.0 20.8 21.8 14.9 301 301 A S - 0 0 27 5,-1.2 9,-0.3 3,-0.1 -3,-0.0 -0.915 62.5 -97.8-162.0-175.5 23.6 20.7 12.5 302 302 A N S S+ 0 0 120 -2,-0.3 2,-0.3 8,-0.1 3,-0.0 0.150 95.6 61.6-104.6 18.0 27.4 20.5 12.2 303 303 A E S >> S- 0 0 107 0, 0.0 4,-1.0 0, 0.0 3,-0.8 -0.997 99.3 -35.1-144.2 149.8 27.8 23.7 10.2 304 304 A N H 3> S- 0 0 125 -2,-0.3 4,-1.4 1,-0.2 3,-0.5 -0.074 121.9 -0.9 49.3-127.8 27.2 27.4 10.4 305 305 A R H 3> S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 132.4 57.3 -63.5 -42.1 24.1 28.6 12.3 306 306 A G H <> S+ 0 0 5 -3,-0.8 4,-2.3 1,-0.2 -5,-1.2 0.816 105.2 51.9 -58.2 -33.3 23.0 25.0 13.1 307 307 A Y H X S+ 0 0 51 -4,-1.0 4,-2.8 -3,-0.5 -1,-0.2 0.842 105.8 52.3 -76.0 -34.7 26.3 24.3 14.8 308 308 A V H X S+ 0 0 12 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.941 112.5 47.1 -63.2 -45.5 26.2 27.3 17.1 309 309 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.946 112.8 48.6 -57.3 -50.7 22.7 26.2 18.1 310 310 A R H X S+ 0 0 36 -4,-2.3 4,-2.7 -9,-0.3 5,-0.2 0.920 109.7 53.0 -56.1 -46.4 24.0 22.6 18.7 311 311 A R H X S+ 0 0 42 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.901 111.5 45.3 -56.1 -44.7 26.9 23.9 20.7 312 312 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 112.6 50.1 -69.7 -43.3 24.6 25.9 23.0 313 313 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.951 112.6 47.2 -56.9 -50.3 22.1 23.0 23.5 314 314 A R H X S+ 0 0 20 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.855 110.6 51.6 -64.3 -37.1 24.9 20.5 24.3 315 315 A R H X S+ 0 0 8 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.903 110.9 49.1 -65.3 -39.9 26.5 22.9 26.8 316 316 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.914 111.0 49.1 -63.5 -44.4 23.1 23.4 28.5 317 317 A V H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.904 108.9 53.8 -62.0 -41.6 22.6 19.6 28.6 318 318 A R H X S+ 0 0 9 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.911 107.9 49.7 -58.3 -44.9 26.1 19.2 30.1 319 319 A H H X S+ 0 0 3 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.869 108.5 53.2 -62.7 -36.8 25.2 21.7 32.9 320 320 A G H X>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 4,-0.5 0.872 106.8 52.9 -64.4 -37.6 22.0 19.8 33.6 321 321 A N H ><5S+ 0 0 39 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.906 106.2 52.4 -63.3 -42.7 24.1 16.7 34.0 322 322 A M H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 106.6 53.9 -63.6 -30.2 26.4 18.4 36.5 323 323 A L H 3<5S- 0 0 26 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.592 125.0-105.4 -79.0 -12.1 23.2 19.4 38.5 324 324 A G T <<5 + 0 0 41 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.696 50.7 177.7 96.5 23.4 22.2 15.7 38.5 325 325 A A < - 0 0 18 -5,-2.6 -1,-0.2 1,-0.2 -55,-0.1 -0.418 10.8-167.6 -60.2 126.1 19.4 15.7 36.0 326 326 A K + 0 0 209 -2,-0.2 2,-0.3 -56,-0.1 -1,-0.2 0.761 64.5 27.2 -89.7 -28.6 18.3 12.0 35.7 327 327 A E S S- 0 0 131 -58,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.871 104.9 -62.8-133.2 164.4 16.1 12.3 32.6 328 328 A T + 0 0 39 -2,-0.3 -2,-0.1 1,-0.2 32,-0.1 -0.227 63.1 156.2 -45.7 123.6 15.8 14.4 29.4 329 329 A F > + 0 0 2 -4,-0.1 3,-1.2 2,-0.1 4,-0.2 0.669 40.1 82.0-128.7 -31.0 15.0 17.9 30.8 330 330 A F G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.882 91.9 52.5 -61.4 -44.7 15.9 20.8 28.4 331 331 A Y G > S+ 0 0 54 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.728 96.4 71.6 -62.3 -22.3 12.8 20.7 26.2 332 332 A K G < S+ 0 0 68 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.557 87.6 65.2 -71.0 -7.5 10.7 20.9 29.4 333 333 A L G <> S+ 0 0 0 -3,-1.9 4,-2.0 -4,-0.2 -1,-0.2 0.510 78.3 81.4 -94.7 -5.9 11.7 24.5 29.8 334 334 A V H <> S+ 0 0 0 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.921 92.2 49.2 -64.5 -45.9 10.0 25.8 26.7 335 335 A G H > S+ 0 0 15 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.964 112.7 45.8 -57.1 -58.5 6.6 26.0 28.4 336 336 A P H > S+ 0 0 38 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.849 111.8 54.1 -52.1 -38.3 8.0 27.9 31.4 337 337 A L H >X S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 4,-1.1 0.935 106.1 50.7 -64.0 -47.3 9.9 30.2 29.1 338 338 A I H 3X S+ 0 0 16 -4,-2.5 4,-0.6 1,-0.2 3,-0.4 0.878 105.5 59.3 -54.5 -38.3 6.8 31.1 27.1 339 339 A D H 3< S+ 0 0 135 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.688 111.6 37.7 -68.0 -21.1 5.1 31.9 30.4 340 340 A V H << S+ 0 0 29 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.535 104.0 68.9-105.6 -8.5 7.7 34.6 31.3 341 341 A M H >< S- 0 0 1 -4,-1.1 3,-1.5 -3,-0.4 5,-0.2 0.612 74.4-170.8 -89.7 -12.9 8.2 36.2 27.9 342 342 A G G >< - 0 0 40 -4,-0.6 3,-1.6 1,-0.3 -1,-0.2 -0.260 68.3 -14.2 58.3-141.0 4.8 37.8 27.4 343 343 A S G > S+ 0 0 79 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.681 131.0 71.3 -67.2 -18.3 4.2 39.2 24.0 344 344 A A G < S+ 0 0 19 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.612 96.6 52.1 -73.3 -12.1 7.9 38.9 23.2 345 345 A G G X> S+ 0 0 1 -3,-1.6 4,-2.8 -7,-0.2 3,-0.5 0.239 72.0 111.2-106.1 14.1 7.5 35.1 23.1 346 346 A E H <> S+ 0 0 111 -3,-1.1 4,-2.3 1,-0.3 -1,-0.1 0.863 78.1 51.4 -58.6 -39.7 4.6 35.0 20.6 347 347 A D H 3> S+ 0 0 54 -4,-0.2 4,-0.6 -3,-0.2 -1,-0.3 0.832 113.3 45.9 -66.6 -32.5 6.7 33.4 17.8 348 348 A L H X4 S+ 0 0 0 -3,-0.5 3,-0.6 2,-0.2 7,-0.2 0.903 111.2 51.1 -74.1 -44.2 7.9 30.7 20.3 349 349 A K H >< S+ 0 0 115 -4,-2.8 3,-1.6 1,-0.2 4,-0.2 0.912 104.9 57.8 -58.5 -44.5 4.4 30.0 21.6 350 350 A R H 3< S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.797 118.2 32.3 -55.1 -31.2 3.1 29.6 18.1 351 351 A Q T S+ 0 0 64 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.894 73.5 45.0 -50.2 -55.2 5.9 25.3 21.0 353 353 A A H > S+ 0 0 72 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 114.3 49.1 -62.2 -40.7 5.5 21.7 20.1 354 354 A Q H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 112.6 47.4 -65.0 -43.0 7.9 21.8 17.2 355 355 A V H X S+ 0 0 1 -4,-2.5 4,-2.2 -7,-0.2 -2,-0.2 0.915 110.8 52.8 -66.0 -42.4 10.6 23.6 19.3 356 356 A E H X S+ 0 0 49 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.913 109.2 48.1 -57.7 -45.8 10.1 21.1 22.1 357 357 A Q H X S+ 0 0 96 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.879 109.6 52.5 -67.3 -37.9 10.7 18.1 19.8 358 358 A V H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.937 114.1 43.0 -61.0 -46.0 13.8 19.6 18.3 359 359 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.875 114.0 51.1 -68.1 -38.5 15.3 20.1 21.7 360 360 A K H X S+ 0 0 60 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.937 111.6 47.5 -62.6 -48.0 14.2 16.7 22.9 361 361 A T H X S+ 0 0 70 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.913 111.9 49.6 -60.3 -45.7 15.7 15.0 19.9 362 362 A E H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.897 111.7 47.6 -63.4 -42.6 19.0 16.8 20.2 363 363 A E H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.906 112.6 49.2 -65.4 -41.8 19.4 16.1 23.9 364 364 A E H X S+ 0 0 74 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.899 110.9 50.8 -63.6 -40.8 18.6 12.4 23.4 365 365 A Q H >< S+ 0 0 89 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.905 112.8 45.3 -62.7 -42.7 21.1 12.2 20.5 366 366 A F H >X S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 4,-2.1 0.819 100.5 68.0 -71.6 -31.5 23.8 13.8 22.7 367 367 A A H 3< S+ 0 0 61 -4,-2.1 4,-0.4 1,-0.3 -1,-0.2 0.709 84.7 74.2 -61.5 -19.2 23.0 11.5 25.7 368 368 A R T << S+ 0 0 161 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.744 118.9 11.7 -63.8 -24.4 24.3 8.7 23.5 369 369 A T T <> S+ 0 0 24 -3,-2.1 4,-2.8 -4,-0.2 5,-0.2 0.484 104.2 92.2-129.5 -11.1 27.9 10.0 24.2 370 370 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.953 92.6 37.5 -57.2 -62.7 27.6 12.6 27.0 371 371 A E H > S+ 0 0 123 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.907 119.1 50.3 -56.2 -45.1 28.2 10.4 30.1 372 372 A R H > S+ 0 0 164 -5,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 111.4 48.2 -62.8 -40.5 30.8 8.3 28.3 373 373 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.881 110.7 50.8 -66.3 -39.2 32.7 11.4 27.1 374 374 A L H X S+ 0 0 21 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.878 108.0 53.2 -66.2 -38.3 32.6 12.9 30.6 375 375 A A H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 110.6 47.1 -61.8 -44.4 34.0 9.7 32.0 376 376 A L H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 111.9 49.8 -61.6 -46.4 36.9 9.8 29.5 377 377 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 110.2 51.0 -60.3 -43.7 37.6 13.5 30.3 378 378 A D H X S+ 0 0 70 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.932 110.0 49.9 -57.0 -47.1 37.6 12.7 34.0 379 379 A E H X S+ 0 0 116 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.905 112.6 47.0 -57.4 -44.1 40.1 9.9 33.4 380 380 A E H < S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 113.4 47.7 -71.0 -31.8 42.3 12.2 31.4 381 381 A L H >< S+ 0 0 25 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.869 103.6 61.4 -75.4 -38.0 42.2 15.0 33.9 382 382 A A H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 115.5 33.3 -59.8 -28.9 42.9 12.7 36.9 383 383 A K T 3< S+ 0 0 150 -4,-0.9 -1,-0.3 -5,-0.2 2,-0.3 0.301 91.1 127.8-108.8 6.3 46.3 11.8 35.3 384 384 A L < - 0 0 49 -3,-1.2 2,-0.6 -5,-0.1 5,-0.1 -0.468 46.5-154.5 -69.9 127.2 46.9 15.2 33.7 385 385 A S + 0 0 120 -2,-0.3 2,-0.2 3,-0.1 3,-0.2 -0.924 64.5 11.5-101.2 116.4 50.3 16.8 34.6 386 386 A G S S- 0 0 55 -2,-0.6 -2,-0.0 1,-0.1 3,-0.0 -0.587 96.1 -74.5 110.8-176.0 50.0 20.6 34.2 387 387 A D S S+ 0 0 80 -2,-0.2 31,-3.5 30,-0.1 2,-0.4 0.235 102.0 77.2-106.2 11.5 47.2 23.0 33.8 388 388 A T E -n 418 0D 50 29,-0.2 2,-0.3 -3,-0.2 31,-0.2 -0.973 69.7-137.0-133.5 121.6 46.4 22.3 30.2 389 389 A L E -n 419 0D 1 29,-3.4 31,-2.6 -2,-0.4 -8,-0.1 -0.551 38.3-109.0 -70.3 134.5 44.5 19.5 28.6 390 390 A D > - 0 0 62 -2,-0.3 4,-1.7 29,-0.2 3,-0.3 -0.290 16.4-124.3 -69.0 151.2 46.2 18.2 25.4 391 391 A G H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.783 107.7 62.0 -66.6 -30.2 44.7 18.9 22.0 392 392 A E H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 106.2 45.9 -61.6 -42.2 44.7 15.3 21.0 393 393 A T H > S+ 0 0 3 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.895 112.0 50.7 -68.6 -41.7 42.3 14.5 23.9 394 394 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.909 112.1 48.3 -60.0 -42.6 40.1 17.5 23.0 395 395 A F H X S+ 0 0 20 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.878 108.7 53.0 -66.7 -38.4 40.0 16.3 19.4 396 396 A R H X>S+ 0 0 97 -4,-2.2 4,-2.7 2,-0.2 5,-0.8 0.902 108.6 50.0 -63.5 -40.9 39.1 12.7 20.5 397 397 A L H X5S+ 0 0 0 -4,-2.2 6,-2.1 3,-0.2 4,-0.7 0.873 115.9 44.3 -63.8 -37.1 36.2 14.1 22.6 398 398 A Y H X5S+ 0 0 73 -4,-1.7 4,-1.2 4,-0.3 -2,-0.2 0.961 119.7 38.9 -66.9 -54.6 35.1 16.0 19.5 399 399 A D H <5S+ 0 0 84 -4,-3.6 -2,-0.2 2,-0.2 -3,-0.2 0.874 130.1 26.2 -71.6 -40.6 35.6 13.2 16.9 400 400 A T H <5S+ 0 0 79 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.859 134.2 28.2 -91.4 -40.2 34.3 10.3 19.0 401 401 A Y H <> - 0 0 1 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.396 23.3-116.8 -59.6 147.8 32.5 20.8 20.7 405 405 A V H 3> S+ 0 0 22 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.848 115.9 54.1 -58.4 -33.8 35.9 22.1 21.8 406 406 A D H 3> S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.774 105.5 53.1 -72.8 -25.8 34.3 25.0 23.7 407 407 A L H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.913 110.7 46.6 -71.0 -44.7 32.1 22.5 25.6 408 408 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.917 112.2 51.3 -59.6 -44.2 35.2 20.6 26.7 409 409 A A H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.859 106.4 55.3 -61.1 -36.7 36.9 23.9 27.6 410 410 A D H X S+ 0 0 3 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.903 109.2 45.8 -63.6 -44.5 33.8 24.8 29.7 411 411 A V H < S+ 0 0 2 -4,-1.9 3,-0.5 1,-0.2 4,-0.3 0.941 115.5 46.5 -63.1 -47.8 34.1 21.6 31.7 412 412 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-2.1 0.886 104.7 61.0 -62.8 -41.0 37.9 22.1 32.2 413 413 A R H ><5S+ 0 0 106 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.836 95.2 62.4 -55.8 -35.7 37.5 25.8 33.1 414 414 A E T 3<5S+ 0 0 49 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.620 108.9 42.6 -66.5 -12.7 35.4 24.8 36.1 415 415 A R T < 5S- 0 0 116 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.067 121.9-104.8-119.5 20.9 38.4 22.9 37.4 416 416 A N T < 5S+ 0 0 148 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.834 78.5 135.8 57.7 36.2 40.9 25.7 36.5 417 417 A I < - 0 0 33 -5,-2.3 -1,-0.2 -8,-0.1 -29,-0.2 -0.938 41.7-150.1-115.4 136.8 42.2 23.6 33.6 418 418 A K E -n 388 0D 125 -31,-3.5 -29,-3.4 -2,-0.4 2,-0.4 -0.488 10.8-128.5 -96.2 170.3 42.9 25.1 30.1 419 419 A V E -n 389 0D 18 -31,-0.2 2,-1.7 -2,-0.2 -29,-0.2 -0.983 18.4-123.0-122.7 133.2 42.6 23.4 26.7 420 420 A D > + 0 0 69 -31,-2.6 4,-2.0 -2,-0.4 5,-0.1 -0.582 33.3 177.6 -73.7 89.4 45.4 23.5 24.1 421 421 A E H > S+ 0 0 83 -2,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.839 78.3 54.9 -62.8 -37.3 43.3 25.0 21.3 422 422 A A H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 108.7 48.5 -63.6 -41.1 46.3 25.1 19.0 423 423 A G H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.882 110.3 51.4 -65.2 -40.4 46.8 21.3 19.5 424 424 A F H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.909 111.7 46.9 -62.0 -43.8 43.1 20.7 18.8 425 425 A E H X S+ 0 0 91 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.840 109.8 53.4 -68.5 -34.8 43.3 22.7 15.6 426 426 A A H X S+ 0 0 44 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.873 109.2 49.0 -66.1 -38.1 46.4 20.8 14.5 427 427 A A H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.878 111.2 50.2 -67.0 -39.3 44.6 17.5 15.1 428 428 A M H X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.908 111.8 47.5 -62.8 -44.7 41.7 18.8 13.0 429 429 A E H X S+ 0 0 67 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.873 108.1 55.0 -67.1 -38.7 44.0 19.9 10.2 430 430 A E H X S+ 0 0 97 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.895 109.5 47.8 -59.8 -41.4 45.8 16.5 10.3 431 431 A Q H X S+ 0 0 64 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.892 108.4 54.4 -67.3 -40.3 42.5 14.8 9.8 432 432 A R H X S+ 0 0 113 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.912 107.8 50.5 -58.2 -43.0 41.6 17.2 7.0 433 433 A R H X S+ 0 0 140 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.882 109.0 50.9 -62.3 -40.3 44.9 16.2 5.2 434 434 A R H X S+ 0 0 127 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.899 110.3 50.3 -63.9 -40.5 44.0 12.5 5.6 435 435 A A H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.904 111.6 47.3 -63.2 -42.9 40.6 13.2 4.1 436 436 A R H X S+ 0 0 187 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.900 111.6 51.5 -64.9 -41.9 42.2 15.0 1.1 437 437 A E H < S+ 0 0 161 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.3 41.1 -60.4 -45.4 44.7 12.3 0.6 438 438 A A H < S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.4 47.1 -74.2 -38.3 42.1 9.5 0.6 439 439 A S H < S- 0 0 97 -4,-2.4 2,-0.2 1,-0.2 -2,-0.2 0.822 92.2-168.6 -76.5 -30.7 39.5 11.4 -1.5 440 440 A G < 0 0 45 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.542 360.0 360.0 84.1-142.7 42.0 12.5 -4.2 441 441 A F 0 0 272 -2,-0.2 -4,-0.0 -4,-0.1 0, 0.0 -0.287 360.0 360.0 -62.0 360.0 41.3 15.1 -6.9 442 ! 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 0.0 443 442 A X 0 0 19 0, 0.0 -207,-0.1 0, 0.0 -401,-0.1 0.000 360.0 360.0 360.0 360.0 23.9 49.5 19.5