==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-JUN-09 3HXX . 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) . 19791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 69.6 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 . 53 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 1 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 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 . 1 4 1 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 1 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 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 0 115 0, 0.0 2,-0.1 0, 0.0 247,-0.1 0.000 360.0 360.0 360.0 170.9 13.8 31.2 -4.3 2 2 A K - 0 0 95 245,-0.2 2,-0.1 1,-0.1 245,-0.0 -0.470 360.0-119.8 -77.7 149.1 10.7 29.0 -3.8 3 3 A S > - 0 0 33 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.473 29.7-106.1 -80.7 160.2 9.6 27.8 -0.4 4 4 A T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 124.6 52.7 -51.4 -43.2 9.4 24.1 0.3 5 5 A A H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 109.1 47.7 -60.1 -42.8 5.6 24.6 0.2 6 6 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.842 111.8 51.2 -67.6 -34.5 5.7 26.3 -3.2 7 7 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 107.9 51.7 -68.7 -44.9 8.0 23.5 -4.5 8 8 A R H X S+ 0 0 12 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.926 115.1 42.4 -53.7 -47.1 5.6 20.8 -3.3 9 9 A Q H X S+ 0 0 87 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.872 110.9 55.2 -71.5 -37.5 2.8 22.5 -5.1 10 10 A A H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.878 107.7 50.1 -62.7 -40.2 4.8 23.2 -8.2 11 11 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.939 113.9 44.0 -63.0 -49.5 5.7 19.6 -8.6 12 12 A L H X S+ 0 0 22 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.883 113.9 50.9 -63.5 -40.0 2.1 18.5 -8.2 13 13 A D H X S+ 0 0 76 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.872 105.8 56.0 -66.3 -40.7 0.9 21.2 -10.6 14 14 A F H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.946 114.3 38.8 -54.7 -49.3 3.4 20.3 -13.3 15 15 A F H <>S+ 0 0 0 -4,-1.7 5,-2.8 1,-0.2 3,-0.3 0.847 112.6 54.3 -78.1 -32.6 2.1 16.7 -13.3 16 16 A H H ><5S+ 0 0 116 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.879 108.5 51.7 -63.0 -36.8 -1.5 17.6 -13.0 17 17 A S H 3<5S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.694 104.3 58.3 -73.0 -19.9 -1.0 19.9 -16.0 18 18 A K T 3<5S- 0 0 71 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.1 -0.143 132.0 -90.2-100.2 34.1 0.5 16.9 -17.9 19 19 A G T < 5S+ 0 0 54 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.536 80.2 143.7 76.8 9.1 -2.7 14.8 -17.4 20 20 A H < - 0 0 2 -5,-2.8 2,-0.5 -6,-0.1 41,-0.3 -0.624 51.4-122.5 -85.8 140.7 -1.8 13.2 -14.1 21 21 A Q E -a 61 0A 98 39,-2.7 41,-2.1 -2,-0.3 2,-0.6 -0.667 24.4-130.2 -77.7 124.8 -4.4 12.6 -11.4 22 22 A V E -a 62 0A 67 -2,-0.5 2,-0.4 39,-0.2 41,-0.2 -0.681 30.5-173.2 -78.2 119.8 -3.6 14.3 -8.2 23 23 A V - 0 0 22 39,-2.5 41,-0.4 -2,-0.6 3,-0.1 -0.933 23.2-113.7-118.6 139.0 -3.9 11.7 -5.4 24 24 A A - 0 0 78 -2,-0.4 41,-0.1 1,-0.1 39,-0.0 -0.287 40.4 -92.1 -68.3 151.8 -3.6 12.4 -1.7 25 25 A S - 0 0 31 39,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.320 42.3-125.7 -56.4 141.3 -0.7 11.0 0.4 26 26 A S - 0 0 27 1,-0.2 40,-0.4 -3,-0.1 -1,-0.1 -0.427 37.8 -81.0 -81.0 169.2 -1.5 7.7 2.0 27 27 A S - 0 0 41 2,-0.2 -1,-0.2 -2,-0.1 4,-0.2 -0.201 29.4-120.6 -66.1 158.6 -1.1 7.1 5.8 28 28 A L S S+ 0 0 0 264,-0.2 11,-2.2 10,-0.1 40,-0.1 0.670 100.5 78.8 -70.9 -18.0 2.2 6.4 7.4 29 29 A V S S- 0 0 36 9,-0.2 -2,-0.2 267,-0.1 9,-0.1 -0.848 96.5-115.0 -95.5 119.7 0.6 3.2 8.6 30 30 A P > - 0 0 14 0, 0.0 3,-0.6 0, 0.0 -2,-0.1 -0.327 19.4-143.3 -58.4 124.5 0.4 0.5 5.9 31 31 A H T 3 S+ 0 0 188 1,-0.3 14,-0.0 -4,-0.2 -3,-0.0 0.951 87.6 1.7 -54.9 -58.9 -3.3 -0.1 5.0 32 32 A N T 3 S+ 0 0 134 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 -0.466 102.0 98.8-136.3 64.0 -2.9 -3.8 4.4 33 33 A D < - 0 0 37 -3,-0.6 3,-0.2 3,-0.2 -1,-0.1 -0.767 35.2-177.9-144.1 109.8 0.5 -5.1 5.0 34 34 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.765 87.9 60.9 -59.8 -26.8 1.6 -6.7 8.3 35 35 A T S S+ 0 0 122 -3,-0.1 2,-0.4 2,-0.0 -2,-0.0 0.881 89.1 69.2 -70.4 -46.6 5.0 -6.9 6.8 36 36 A L - 0 0 33 -3,-0.2 -3,-0.2 1,-0.2 3,-0.1 -0.643 64.2-157.5 -87.5 128.4 5.9 -3.3 6.2 37 37 A L S S- 0 0 44 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.988 72.4 -5.5 -69.1 -61.3 6.5 -1.3 9.3 38 38 A F S S- 0 0 4 30,-0.2 -1,-0.3 33,-0.2 -9,-0.2 -0.976 85.2 -87.4-133.4 152.5 5.8 2.2 7.9 39 39 A T + 0 0 2 -11,-2.2 29,-2.6 -2,-0.3 3,-0.1 -0.359 47.6 170.6 -53.1 120.3 5.1 3.7 4.5 40 40 A N + 0 0 6 27,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.324 55.2 33.2-124.2 6.2 8.6 4.4 3.1 41 41 A A S > S- 0 0 0 25,-0.2 3,-0.8 27,-0.0 4,-0.3 -0.988 74.3-116.7-156.9 156.3 7.8 5.2 -0.6 42 42 A G T 3 S+ 0 0 0 -2,-0.3 3,-0.4 1,-0.2 4,-0.2 0.687 108.6 67.5 -64.9 -17.9 5.2 6.9 -2.7 43 43 A M T > S+ 0 0 6 1,-0.2 3,-2.3 2,-0.1 4,-0.4 0.774 74.5 85.8 -74.4 -27.7 4.6 3.6 -4.5 44 44 A N G X S+ 0 0 29 -3,-0.8 3,-1.3 1,-0.3 4,-0.3 0.809 87.7 49.0 -51.1 -44.0 3.1 1.7 -1.5 45 45 A Q G 3 S+ 0 0 49 -3,-0.4 -1,-0.3 -4,-0.3 3,-0.2 0.694 115.9 45.5 -71.7 -15.6 -0.5 2.9 -2.0 46 46 A F G X> S+ 0 0 0 -3,-2.3 4,-2.1 -4,-0.2 3,-1.0 0.298 79.1 112.7-105.2 6.4 -0.3 1.9 -5.7 47 47 A K H <> S+ 0 0 57 -3,-1.3 4,-1.5 -4,-0.4 -1,-0.1 0.866 79.6 44.2 -47.3 -49.6 1.4 -1.4 -5.1 48 48 A D H 3>>S+ 0 0 76 -4,-0.3 6,-2.1 1,-0.2 5,-2.1 0.699 109.3 57.7 -74.4 -20.4 -1.6 -3.5 -6.3 49 49 A V H <45S+ 0 0 15 -3,-1.0 3,-0.3 4,-0.2 -1,-0.2 0.891 107.0 47.6 -72.6 -41.8 -2.1 -1.3 -9.3 50 50 A F H <5S+ 0 0 2 -4,-2.1 181,-0.4 1,-0.2 -2,-0.2 0.841 111.0 52.5 -65.1 -34.1 1.4 -2.0 -10.5 51 51 A L H <5S- 0 0 29 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.717 113.8-121.9 -73.3 -22.4 0.8 -5.7 -9.9 52 52 A G T <5S+ 0 0 51 -4,-0.7 -3,-0.2 2,-0.3 -2,-0.1 0.575 86.5 108.0 89.9 11.7 -2.4 -5.4 -12.0 53 53 A L S S+J 74 0B 15 3,-1.0 3,-0.7 -3,-0.1 -1,-0.2 -0.967 95.7 21.4 178.6 168.2 13.1 0.3 10.3 72 72 A G T 3 S+ 0 0 74 -2,-0.3 3,-0.3 1,-0.2 -36,-0.1 -0.377 117.4 2.4 68.0-128.6 13.0 -2.8 8.1 73 73 A K T 3 S+ 0 0 123 1,-0.3 2,-0.6 99,-0.2 -1,-0.2 0.939 140.2 28.7 -60.2 -52.6 14.2 -2.5 4.5 74 74 A H E < +J 71 0B 47 -3,-0.7 -3,-1.0 98,-0.1 2,-0.6 -0.911 69.1 170.5-119.2 103.7 15.1 1.2 4.7 75 75 A N E +J 70 0B 73 -2,-0.6 -5,-0.3 -3,-0.3 3,-0.2 -0.929 8.8 163.3-116.2 108.8 16.2 2.4 8.1 76 76 A D >> + 0 0 22 -7,-2.2 3,-2.0 -2,-0.6 4,-1.1 0.343 43.8 108.8-105.6 6.5 17.7 5.9 8.2 77 77 A L T 34 S+ 0 0 1 1,-0.3 3,-0.4 -8,-0.2 -1,-0.2 0.846 81.4 48.3 -50.1 -40.4 17.5 6.6 11.9 78 78 A E T 34 S+ 0 0 65 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.508 106.6 57.6 -85.6 -3.0 21.2 6.3 12.4 79 79 A N T X> S+ 0 0 53 -3,-2.0 3,-2.2 3,-0.1 4,-2.1 0.655 79.0 110.2 -91.4 -21.1 21.9 8.7 9.5 80 80 A V T 3< S+ 0 0 4 -4,-1.1 7,-0.1 -3,-0.4 202,-0.1 -0.382 90.2 8.8 -62.3 120.3 19.9 11.5 11.0 81 81 A G T 34 S+ 0 0 4 2,-0.5 -1,-0.3 5,-0.4 201,-0.1 0.333 123.1 69.4 92.6 -5.6 22.2 14.3 12.1 82 82 A Y T <4 S+ 0 0 92 -3,-2.2 2,-0.3 4,-0.1 -2,-0.2 0.679 96.0 46.9-111.7 -32.9 25.2 12.7 10.4 83 83 A T S < S- 0 0 20 -4,-2.1 -2,-0.5 3,-0.2 3,-0.2 -0.737 71.5-134.5-108.0 163.1 24.3 13.2 6.7 84 84 A A S S+ 0 0 17 -2,-0.3 169,-2.9 1,-0.2 170,-0.3 0.610 101.7 44.2 -82.5 -12.9 23.0 16.2 4.8 85 85 A R S S+ 0 0 29 167,-0.2 2,-0.4 168,-0.1 -1,-0.2 0.410 89.5 89.6-122.4 -1.8 20.4 14.2 3.0 86 86 A H + 0 0 22 -7,-0.2 -5,-0.4 -3,-0.2 2,-0.3 -0.885 36.1 165.1-115.0 133.0 18.6 11.8 5.4 87 87 A H - 0 0 4 -2,-0.4 -18,-0.2 1,-0.2 3,-0.1 -0.816 36.8-137.1-120.5 167.0 15.5 12.1 7.6 88 88 A T S S+ 0 0 0 -2,-0.3 -19,-2.1 1,-0.3 2,-0.4 0.879 102.4 37.8 -78.4 -61.1 13.3 9.6 9.3 89 89 A F E S+B 68 0A 1 196,-0.4 2,-0.3 -21,-0.2 -1,-0.3 -0.737 81.1 143.2 -88.4 132.4 10.2 11.5 8.2 90 90 A F E -B 67 0A 25 -23,-2.3 -23,-3.4 -2,-0.4 2,-0.5 -0.979 45.6-110.6-157.3 166.2 10.2 13.0 4.7 91 91 A E E -B 66 0A 8 -2,-0.3 149,-2.8 -25,-0.2 2,-0.6 -0.897 22.2-155.6-105.1 130.0 8.0 13.7 1.7 92 92 A M E -BC 65 239A 15 -27,-3.0 -27,-2.6 -2,-0.5 2,-0.5 -0.919 8.3-148.7-104.9 116.6 8.6 11.8 -1.6 93 93 A L E +BC 64 238A 0 145,-4.0 145,-2.9 -2,-0.6 2,-0.4 -0.745 29.0 178.5 -83.2 126.4 7.3 13.6 -4.7 94 94 A G E -B 63 0A 0 -31,-2.7 -31,-1.7 -2,-0.5 2,-0.4 -0.958 30.1-163.5-135.1 147.5 6.2 11.0 -7.2 95 95 A N E -B 62 0A 2 -2,-0.4 141,-1.6 -33,-0.2 2,-0.4 -0.986 21.7-161.1-121.3 142.4 4.7 10.6 -10.6 96 96 A F E -BD 61 235A 0 -35,-3.1 -35,-2.1 -2,-0.4 2,-0.5 -0.968 14.3-164.5-130.7 135.4 3.2 7.2 -11.6 97 97 A S E -BD 60 234A 0 137,-2.1 137,-2.1 -2,-0.4 2,-1.0 -0.974 5.3-164.9-117.3 115.1 2.3 5.6 -14.9 98 98 A F S S- 0 0 24 -39,-2.9 135,-0.1 -2,-0.5 -42,-0.1 -0.748 82.3 -36.5 -99.7 87.8 0.1 2.6 -14.6 99 99 A G S S+ 0 0 33 -2,-1.0 -1,-0.2 133,-0.2 134,-0.1 0.779 122.8 100.5 67.3 27.7 0.5 1.0 -18.1 100 100 A D S S+ 0 0 57 1,-0.5 -1,-0.1 -41,-0.3 -3,-0.1 0.212 79.6 0.7-106.5-129.0 0.7 4.4 -19.7 101 101 A Y - 0 0 12 1,-0.1 -1,-0.5 -42,-0.1 -2,-0.2 -0.131 68.3-169.2 -59.6 153.3 4.0 6.1 -20.7 102 102 A F > - 0 0 52 -3,-0.1 4,-2.0 131,-0.1 5,-0.2 -0.112 46.8 -26.6-122.5-135.2 7.2 4.2 -20.2 103 103 A K H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.842 125.2 45.4 -59.1 -51.7 10.9 5.0 -20.3 104 104 A L H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.951 118.0 41.2 -61.4 -51.4 11.3 7.9 -22.8 105 105 A D H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.797 112.2 55.7 -70.0 -29.6 8.4 10.1 -21.5 106 106 A A H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.956 111.4 44.3 -61.6 -50.6 9.3 9.4 -17.8 107 107 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.856 114.4 49.8 -63.1 -38.0 12.8 10.6 -18.4 108 108 A L H X S+ 0 0 63 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.889 107.3 52.9 -68.9 -44.4 11.6 13.7 -20.4 109 109 A F H X S+ 0 0 24 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.931 113.6 45.0 -53.5 -47.8 9.0 14.7 -17.8 110 110 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.911 113.8 47.1 -66.1 -45.5 11.8 14.7 -15.2 111 111 A W H X S+ 0 0 25 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.897 112.8 50.9 -65.0 -41.0 14.3 16.5 -17.3 112 112 A L H X S+ 0 0 65 -4,-2.9 4,-2.5 2,-0.2 9,-0.3 0.958 111.4 46.0 -59.2 -54.6 11.7 19.1 -18.3 113 113 A L H < S+ 0 0 0 -4,-2.4 7,-2.5 1,-0.2 8,-0.3 0.925 119.2 42.1 -55.8 -46.4 10.6 19.8 -14.7 114 114 A L H < S+ 0 0 1 -4,-2.3 8,-2.9 -5,-0.2 -1,-0.2 0.836 129.3 21.5 -70.9 -36.8 14.2 20.1 -13.5 115 115 A T H < S+ 0 0 13 -4,-2.4 -3,-0.2 6,-0.3 -2,-0.2 0.586 88.2 112.1-116.5 -13.6 15.9 22.0 -16.3 116 116 A S ><> - 0 0 21 -4,-2.5 5,-1.6 -5,-0.3 3,-1.2 -0.378 63.5-136.3 -65.8 139.7 13.2 24.0 -18.2 117 117 A E T 3 5S+ 0 0 164 1,-0.3 -1,-0.1 3,-0.1 -4,-0.0 0.783 109.2 58.2 -64.3 -26.4 13.2 27.8 -17.9 118 118 A K T 3 5S+ 0 0 186 -6,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.655 121.3 19.6 -75.2 -18.3 9.4 27.5 -17.4 119 119 A W T < 5S- 0 0 74 -3,-1.2 -5,-0.1 -7,-0.2 -6,-0.1 0.097 130.9 -21.1-123.4-125.3 10.0 25.2 -14.4 120 120 A F T 5 - 0 0 16 -7,-2.5 -6,-0.2 -8,-0.2 -5,-0.1 0.744 66.8-158.5 -69.9 -21.7 12.9 24.6 -12.0 121 121 A A < + 0 0 35 -5,-1.6 -6,-0.3 -9,-0.3 -7,-0.1 0.755 22.1 171.6 53.9 32.4 15.5 25.9 -14.4 122 122 A L - 0 0 17 -8,-2.9 2,-0.2 -9,-0.2 -1,-0.2 -0.463 41.5-100.6 -68.8 144.9 18.4 24.0 -12.9 123 123 A P > - 0 0 50 0, 0.0 3,-1.2 0, 0.0 4,-0.2 -0.502 23.6-140.5 -68.4 133.5 21.7 24.1 -14.8 124 124 A K G > S+ 0 0 103 1,-0.2 3,-1.3 -2,-0.2 -2,-0.0 0.772 95.0 67.0 -67.4 -29.1 22.3 20.9 -16.8 125 125 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.2 23,-0.0 -3,-0.0 0.636 97.4 54.9 -69.8 -12.7 26.0 20.8 -16.1 126 126 A R G < S+ 0 0 87 -3,-1.2 61,-2.4 60,-0.0 2,-0.4 0.528 93.0 89.9 -96.3 -7.0 25.4 20.2 -12.4 127 127 A L E < -E 186 0A 2 -3,-1.3 2,-0.3 -4,-0.2 59,-0.2 -0.751 50.8-179.5 -99.9 137.5 23.2 17.1 -13.1 128 128 A W E -E 185 0A 40 57,-2.6 57,-3.8 -2,-0.4 2,-0.3 -0.920 9.7-154.6-127.2 152.1 24.4 13.5 -13.3 129 129 A V E -Ef 184 153A 0 23,-2.6 25,-2.4 -2,-0.3 2,-0.4 -0.954 4.4-157.8-130.6 153.6 22.4 10.4 -14.0 130 130 A T E -Ef 183 154A 0 53,-2.2 53,-1.6 -2,-0.3 2,-0.3 -0.947 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-40.1 16.5 17.4 -1.2 243 243 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.818 111.6 57.2 -75.5 -30.8 15.2 19.3 -4.2 244 244 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.906 105.3 51.7 -61.9 -41.4 14.2 22.2 -1.9 245 245 A A H <>S+ 0 0 1 -4,-1.9 5,-2.7 2,-0.2 4,-0.3 0.922 110.7 47.0 -60.1 -47.4 17.9 22.3 -0.9 246 246 A V H ><5S+ 0 0 2 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.935 115.3 46.4 -58.1 -47.0 19.1 22.5 -4.5 247 247 A L H 3<5S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.765 112.0 49.2 -70.5 -27.8 16.5 25.1 -5.3 248 248 A Q T 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.322 114.6-116.0 -95.6 7.1 17.2 27.3 -2.3 249 249 A H T < 5S+ 0 0 155 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.794 74.0 124.4 66.3 32.7 21.0 27.1 -3.1 250 250 A V < - 0 0 33 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.831 56.6-144.4-119.2 161.5 21.9 25.2 0.1 251 251 A N S S+ 0 0 49 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 0.789 77.8 62.6 -97.6 -28.8 23.7 21.9 0.5 252 252 A S S > S- 0 0 21 1,-0.1 3,-2.2 -7,-0.1 4,-0.3 -0.785 72.5-135.5-103.8 140.0 22.0 20.4 3.5 253 253 A N G > S+ 0 0 2 -169,-2.9 3,-1.2 -2,-0.4 6,-0.3 0.822 110.1 60.1 -52.8 -32.1 18.3 19.4 3.9 254 254 A Y G 3 S+ 0 0 5 -170,-0.3 -1,-0.3 1,-0.2 9,-0.1 0.486 93.7 65.3 -80.0 -1.9 18.5 21.1 7.3 255 255 A D G < S+ 0 0 79 -3,-2.2 -1,-0.2 -171,-0.2 -2,-0.2 0.432 79.3 105.2 -96.4 -3.8 19.4 24.4 5.6 256 256 A I S X> S- 0 0 0 -3,-1.2 4,-2.5 -4,-0.3 3,-0.5 -0.395 88.3-103.0 -75.9 159.8 16.0 24.7 3.8 257 257 A D H 3> S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.851 118.4 56.1 -50.9 -43.8 13.4 27.2 5.0 258 258 A L H 3> S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 114.4 37.5 -57.4 -46.8 11.3 24.5 6.7 259 259 A F H <> S+ 0 0 0 -3,-0.5 4,-3.5 -6,-0.3 5,-0.3 0.802 109.5 60.1 -79.9 -30.2 14.1 23.2 8.9 260 260 A R H X S+ 0 0 140 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.918 112.8 41.5 -59.7 -41.3 15.7 26.6 9.6 261 261 A T H X S+ 0 0 67 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.875 116.6 47.6 -72.7 -39.2 12.4 27.6 11.1 262 262 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.907 111.0 50.6 -70.8 -40.4 11.9 24.2 12.9 263 263 A I H X S+ 0 0 10 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.882 108.3 53.6 -65.2 -36.5 15.4 24.3 14.2 264 264 A Q H X S+ 0 0 117 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.898 107.9 50.5 -62.0 -42.7 14.8 27.8 15.6 265 265 A A H X S+ 0 0 15 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.873 109.7 51.2 -60.9 -40.0 11.7 26.5 17.3 266 266 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 6,-0.4 0.916 109.5 48.6 -65.3 -44.3 13.8 23.6 18.8 267 267 A A H X S+ 0 0 19 -4,-2.5 4,-1.3 1,-0.2 5,-0.5 0.864 110.0 55.5 -62.8 -34.0 16.5 26.1 20.1 268 268 A K H < S+ 0 0 175 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.944 111.3 39.1 -65.0 -51.4 13.7 28.2 21.6 269 269 A V H < S+ 0 0 27 -4,-2.0 58,-0.3 1,-0.2 -1,-0.2 0.665 122.5 42.5 -77.3 -16.6 12.0 25.5 23.7 270 270 A T H < S- 0 0 5 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.568 103.2-123.8-102.9 -13.0 15.3 23.9 24.8 271 271 A G < + 0 0 55 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.534 49.9 166.4 78.9 6.4 17.3 27.0 25.5 272 272 A A - 0 0 16 -5,-0.5 -1,-0.2 -6,-0.4 -2,-0.1 -0.239 25.7-163.6 -53.3 140.8 20.0 25.9 23.1 273 273 A T + 0 0 126 50,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.725 62.1 90.6-101.1 -29.9 22.4 28.7 22.2 274 274 A D S S- 0 0 92 1,-0.1 3,-0.2 -7,-0.0 -2,-0.0 -0.368 72.1-140.7 -63.4 145.6 23.9 27.1 19.1 275 275 A L S S+ 0 0 157 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.735 86.3 1.7 -80.6 -24.3 22.2 27.9 15.8 276 276 A S + 0 0 53 -9,-0.0 -1,-0.3 4,-0.0 2,-0.3 -0.927 66.8 145.2-161.2 143.0 22.8 24.3 14.8 277 277 A N > - 0 0 45 -2,-0.3 4,-2.0 -3,-0.2 5,-0.3 -0.932 62.7 -82.9-155.5 177.4 24.3 21.1 16.1 278 278 A K H > S+ 0 0 31 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.936 126.7 50.0 -49.3 -49.9 23.6 17.3 15.8 279 279 A S H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 107.4 50.8 -63.3 -40.4 21.0 17.5 18.5 280 280 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 115.7 43.7 -62.8 -43.3 19.0 20.5 17.1 281 281 A R H X S+ 0 0 63 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.881 112.5 52.5 -68.1 -41.2 18.8 18.8 13.7 282 282 A V H X S+ 0 0 5 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.924 111.8 45.1 -60.4 -46.9 18.0 15.4 15.3 283 283 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.882 109.8 54.9 -67.5 -39.9 15.1 16.8 17.3 284 284 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.920 113.7 42.5 -57.3 -45.7 13.7 18.8 14.4 285 285 A D H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -196,-0.4 0.916 112.7 52.8 -65.4 -44.9 13.6 15.6 12.3 286 286 A H H X S+ 0 0 1 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.853 101.0 58.5 -67.5 -36.1 12.2 13.4 15.2 287 287 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.877 105.2 53.4 -60.6 -35.8 9.2 15.7 15.9 288 288 A R H X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.4 5,-0.3 0.963 114.1 39.1 -63.3 -51.9 8.2 15.2 12.3 289 289 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.948 120.7 45.3 -65.9 -44.8 8.2 11.4 12.5 290 290 A C H X S+ 0 0 0 -4,-3.3 4,-2.2 2,-0.2 5,-0.2 0.934 115.5 44.1 -65.1 -48.9 6.8 11.3 16.0 291 291 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.923 118.0 44.1 -63.5 -44.6 4.0 13.8 15.5 292 292 A F H X S+ 0 0 6 -4,-1.9 4,-1.4 -5,-0.4 -264,-0.2 0.847 111.5 53.3 -72.1 -34.7 2.9 12.5 12.1 293 293 A L H <>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.3 -1,-0.2 0.931 112.0 45.7 -62.2 -46.3 3.0 8.8 13.3 294 294 A I H ><5S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.926 110.7 52.9 -61.6 -45.9 0.8 9.7 16.3 295 295 A A H 3<5S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.785 105.5 55.7 -60.1 -28.1 -1.6 11.6 14.0 296 296 A D T 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.343 131.6 -94.3 -88.6 7.4 -1.7 8.5 11.7 297 297 A G T < 5S+ 0 0 55 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.474 76.3 143.1 101.8 3.7 -2.9 6.5 14.8 298 298 A V < - 0 0 10 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.658 31.4-161.6 -80.7 125.5 0.4 5.0 16.1 299 299 A M - 0 0 102 -2,-0.5 11,-0.1 1,-0.0 10,-0.1 -0.878 26.2-104.2-106.9 138.9 0.5 4.9 19.9 300 300 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.325 57.5 142.0 -60.0 140.8 3.7 4.5 21.9 301 301 A S - 0 0 23 5,-1.2 9,-0.3 3,-0.1 3,-0.0 -0.902 61.8-100.4-161.8-176.8 4.2 1.0 23.3 302 302 A N S S+ 0 0 117 -2,-0.3 2,-0.3 8,-0.1 3,-0.0 0.224 95.8 67.4-105.0 14.4 6.9 -1.6 23.9 303 303 A E S >> S- 0 0 108 0, 0.0 4,-0.9 0, 0.0 3,-0.9 -0.989 98.4 -39.4-136.2 144.6 6.1 -3.7 20.8 304 304 A N H 3> S- 0 0 120 -2,-0.3 4,-1.4 1,-0.2 3,-0.4 -0.116 122.2 -0.6 56.4-130.2 6.2 -3.4 17.0 305 305 A R H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 132.8 57.9 -62.5 -41.6 5.3 -0.0 15.5 306 306 A G H <> S+ 0 0 5 -3,-0.9 4,-2.6 1,-0.2 -5,-1.2 0.822 104.6 51.3 -56.6 -35.9 4.6 1.5 19.0 307 307 A Y H X S+ 0 0 53 -4,-0.9 4,-3.1 -3,-0.4 -1,-0.2 0.858 105.7 53.7 -73.8 -35.2 8.1 0.7 20.1 308 308 A V H X S+ 0 0 9 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.945 112.3 46.3 -61.9 -45.7 9.7 2.4 17.1 309 309 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.967 113.3 47.7 -55.9 -56.7 7.7 5.5 18.0 310 310 A R H X S+ 0 0 44 -4,-2.6 4,-2.8 -9,-0.3 5,-0.2 0.912 110.9 53.1 -52.1 -47.4 8.6 5.3 21.7 311 311 A R H X S+ 0 0 39 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.887 110.8 45.3 -54.6 -45.8 12.3 4.8 20.7 312 312 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 -3,-0.2 -2,-0.2 0.923 112.3 51.8 -66.5 -44.5 12.3 7.9 18.5 313 313 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.951 111.8 46.8 -55.6 -49.3 10.5 10.0 21.1 314 314 A R H X S+ 0 0 25 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.836 109.4 52.8 -67.3 -33.4 13.0 9.0 23.8 315 315 A R H X S+ 0 0 6 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.896 110.0 49.4 -67.0 -38.7 16.0 9.7 21.6 316 316 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.879 110.6 49.7 -65.4 -40.1 14.7 13.2 20.9 317 317 A V H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.895 109.8 52.2 -65.0 -39.7 14.1 13.7 24.7 318 318 A R H X S+ 0 0 6 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.910 109.2 48.5 -62.4 -44.5 17.7 12.5 25.3 319 319 A H H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.865 107.1 57.1 -63.3 -34.4 19.0 15.0 22.7 320 320 A G H X>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 4,-0.8 0.910 104.6 52.4 -58.7 -43.0 16.9 17.7 24.4 321 321 A N H ><5S+ 0 0 49 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.922 105.6 53.2 -57.2 -47.2 18.8 16.8 27.6 322 322 A M H 3<5S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.767 105.6 54.4 -63.5 -25.7 22.1 17.3 25.9 323 323 A L H 3<5S- 0 0 28 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.666 122.2-110.1 -78.2 -19.1 21.0 20.8 24.8 324 324 A G T <<5 + 0 0 38 -3,-1.2 -3,-0.2 -4,-0.8 -2,-0.1 0.643 50.0 177.1 98.9 18.9 20.3 21.6 28.4 325 325 A A < - 0 0 24 -5,-2.2 -1,-0.2 1,-0.1 -55,-0.1 -0.279 12.4-168.7 -54.6 138.8 16.5 21.6 28.3 326 326 A K + 0 0 208 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.491 63.7 33.7-114.1 -8.9 15.1 22.2 31.8 327 327 A E S S- 0 0 135 -58,-0.3 -1,-0.1 -57,-0.0 0, 0.0 -0.940 104.5 -66.1-141.7 163.1 11.4 21.5 31.3 328 328 A T + 0 0 40 -2,-0.3 -2,-0.1 1,-0.2 32,-0.1 -0.291 63.5 157.0 -49.5 127.4 9.2 19.2 29.2 329 329 A F > + 0 0 3 -4,-0.1 3,-1.7 31,-0.1 4,-0.2 0.702 40.3 80.3-128.9 -35.5 9.8 20.4 25.7 330 330 A F G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.848 92.1 53.5 -60.7 -42.6 9.1 18.0 22.9 331 331 A Y G > S+ 0 0 53 1,-0.3 3,-1.0 28,-0.2 4,-0.4 0.676 96.5 70.6 -64.6 -17.5 5.3 18.3 22.7 332 332 A K G < S+ 0 0 71 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.505 87.1 65.4 -79.0 -5.2 5.8 22.1 22.3 333 333 A L G <> S+ 0 0 0 -3,-1.7 4,-1.7 -4,-0.2 -1,-0.2 0.470 79.2 81.0 -97.1 -4.4 7.2 21.6 18.8 334 334 A V H <> S+ 0 0 0 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.908 92.2 49.5 -67.4 -44.5 3.9 20.3 17.4 335 335 A G H > S+ 0 0 24 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.982 113.0 45.5 -54.8 -62.5 2.5 23.8 17.0 336 336 A P H > S+ 0 0 47 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.777 113.3 52.7 -50.9 -33.3 5.7 25.1 15.2 337 337 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.928 104.6 53.1 -70.5 -48.5 5.6 21.9 13.1 338 338 A I H X S+ 0 0 14 -4,-2.7 4,-0.5 1,-0.2 3,-0.4 0.909 109.6 51.5 -49.9 -44.9 2.0 22.3 12.0 339 339 A D H >< S+ 0 0 133 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.878 109.1 46.1 -66.3 -42.1 2.9 25.9 10.8 340 340 A V H 3< S+ 0 0 28 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.679 106.1 62.3 -75.3 -15.9 5.9 25.0 8.6 341 341 A M H >< S- 0 0 0 -4,-1.3 3,-2.0 -3,-0.4 -1,-0.2 0.590 79.9-176.6 -88.0 -11.0 4.1 22.1 7.0 342 342 A G G X< S+ 0 0 37 -3,-0.7 3,-2.0 -4,-0.5 -1,-0.2 -0.238 70.8 0.9 55.7-129.7 1.4 24.3 5.4 343 343 A S G > S+ 0 0 73 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.757 133.4 60.1 -62.0 -25.9 -1.2 22.2 3.6 344 344 A A G < S+ 0 0 31 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.343 100.2 58.5 -83.1 7.7 0.6 19.1 4.6 345 345 A G G <> S+ 0 0 0 -3,-2.0 4,-1.6 -4,-0.1 -1,-0.2 0.297 75.5 93.8-115.6 7.9 0.1 20.0 8.2 346 346 A E H <> S+ 0 0 120 -3,-0.8 4,-1.5 2,-0.2 -2,-0.1 0.780 82.9 51.0 -78.7 -30.1 -3.7 20.1 8.4 347 347 A D H > S+ 0 0 69 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.920 113.3 47.2 -68.7 -45.9 -4.4 16.6 9.5 348 348 A L H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 7,-0.2 0.858 107.5 57.6 -60.7 -37.5 -1.9 17.1 12.4 349 349 A K H >< S+ 0 0 128 -4,-1.6 3,-1.2 1,-0.2 4,-0.2 0.892 103.9 51.9 -62.9 -40.4 -3.5 20.4 13.2 350 350 A R H 3< S+ 0 0 175 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.883 118.2 37.3 -60.7 -39.9 -6.9 18.7 13.7 351 351 A Q T 3X S+ 0 0 60 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.097 81.1 121.4-101.6 21.5 -5.3 16.2 16.1 352 352 A Q H <> S+ 0 0 54 -3,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.849 73.8 48.1 -55.8 -43.1 -2.9 18.7 17.7 353 353 A A H > S+ 0 0 75 -3,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.924 112.9 47.8 -65.7 -46.6 -4.2 18.2 21.3 354 354 A Q H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.922 114.5 46.5 -58.2 -48.3 -4.1 14.4 21.1 355 355 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.898 112.1 50.1 -64.6 -43.9 -0.6 14.4 19.6 356 356 A E H X S+ 0 0 50 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.878 111.1 49.5 -62.5 -38.9 0.7 16.9 22.2 357 357 A Q H X S+ 0 0 100 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.921 110.3 49.8 -69.0 -42.9 -0.7 14.9 25.1 358 358 A V H X S+ 0 0 19 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.948 115.7 43.4 -56.7 -48.7 0.8 11.7 23.8 359 359 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.842 114.0 50.4 -68.2 -36.1 4.2 13.4 23.5 360 360 A K H X S+ 0 0 60 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.951 112.8 46.2 -67.0 -46.9 3.9 15.2 26.8 361 361 A T H X S+ 0 0 75 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.908 113.1 49.7 -60.7 -44.4 3.0 12.0 28.6 362 362 A E H X S+ 0 0 9 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.904 113.0 45.5 -63.8 -43.4 5.8 10.0 27.0 363 363 A E H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 112.8 50.1 -67.5 -43.4 8.5 12.6 27.8 364 364 A E H X S+ 0 0 72 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.890 110.6 50.9 -60.4 -41.4 7.3 13.0 31.4 365 365 A Q H >< S+ 0 0 81 -4,-2.3 3,-0.6 -5,-0.2 4,-0.3 0.905 113.1 44.2 -62.1 -44.1 7.4 9.2 31.8 366 366 A F H >X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 3,-1.5 0.798 101.3 68.4 -73.2 -29.3 10.9 8.9 30.5 367 367 A A H 3X S+ 0 0 62 -4,-2.1 4,-0.5 1,-0.3 -1,-0.2 0.782 84.6 73.1 -61.9 -27.5 12.1 11.9 32.5 368 368 A R H << S+ 0 0 164 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.813 118.2 14.1 -52.4 -34.4 11.6 9.8 35.7 369 369 A T H <> S+ 0 0 27 -3,-1.5 4,-2.9 -4,-0.3 5,-0.3 0.564 102.5 92.5-119.7 -15.4 14.7 7.7 34.7 370 370 A L H X S+ 0 0 11 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.925 90.2 40.2 -53.9 -61.5 16.6 9.6 32.0 371 371 A E H X S+ 0 0 139 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.861 117.2 50.4 -60.0 -36.6 19.1 11.7 34.0 372 372 A R H > S+ 0 0 155 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 111.4 48.3 -69.4 -40.4 19.8 8.9 36.4 373 373 A G H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.898 111.0 51.1 -61.3 -41.9 20.4 6.5 33.5 374 374 A L H X S+ 0 0 17 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.891 109.5 50.2 -65.3 -39.2 22.7 9.1 31.9 375 375 A A H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 112.2 47.3 -61.2 -46.2 24.6 9.4 35.2 376 376 A L H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.942 113.0 48.7 -59.8 -48.1 25.0 5.6 35.3 377 377 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.931 111.2 49.6 -58.3 -47.0 26.1 5.5 31.7 378 378 A D H X S+ 0 0 68 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.880 110.8 51.7 -57.4 -40.0 28.6 8.3 32.3 379 379 A E H X S+ 0 0 116 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.888 111.8 45.0 -64.0 -42.6 29.9 6.4 35.3 380 380 A E H < S+ 0 0 40 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.787 110.7 53.4 -75.2 -29.7 30.3 3.1 33.3 381 381 A L H < S+ 0 0 27 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.766 105.9 55.7 -74.1 -25.8 32.0 4.9 30.4 382 382 A A H < S+ 0 0 87 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.816 113.1 38.8 -75.1 -31.4 34.5 6.5 32.8 383 383 A K S < S+ 0 0 142 -4,-1.0 2,-0.3 -5,-0.1 -1,-0.2 0.385 94.2 114.9 -99.1 2.2 35.6 3.1 34.2 384 384 A L - 0 0 43 -4,-0.3 2,-0.5 -3,-0.2 5,-0.1 -0.533 49.5-160.2 -77.5 134.0 35.5 1.4 30.8 385 385 A S + 0 0 113 -2,-0.3 3,-0.2 3,-0.1 2,-0.1 -0.976 61.6 23.6-111.1 128.3 38.7 0.1 29.2 386 386 A G S S- 0 0 58 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.387 96.2 -77.6 105.7 172.8 38.4 -0.4 25.4 387 387 A D S S+ 0 0 83 -2,-0.1 31,-3.4 30,-0.1 2,-0.4 0.173 102.3 76.0 -97.5 16.2 36.2 1.0 22.7 388 388 A T E -m 418 0D 50 29,-0.2 2,-0.4 -3,-0.2 31,-0.2 -0.975 67.2-141.7-138.2 123.2 33.1 -1.1 23.5 389 389 A L E -m 419 0D 0 29,-3.1 31,-2.9 -2,-0.4 -8,-0.1 -0.654 37.3-112.8 -75.8 130.5 30.5 -0.9 26.3 390 390 A D >> - 0 0 71 -2,-0.4 4,-1.5 29,-0.2 3,-0.6 -0.309 16.6-121.6 -67.0 149.6 29.5 -4.4 27.5 391 391 A G H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.578 107.6 69.6 -68.5 -10.8 25.9 -5.5 26.7 392 392 A E H 3> S+ 0 0 158 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.923 102.5 42.1 -70.9 -47.1 25.3 -6.0 30.5 393 393 A T H <> S+ 0 0 12 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.911 114.0 52.5 -63.8 -44.6 25.4 -2.3 31.1 394 394 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.880 110.3 48.7 -59.2 -38.4 23.3 -1.7 28.0 395 395 A F H X S+ 0 0 13 -4,-1.7 4,-3.4 2,-0.2 -1,-0.2 0.874 110.0 51.6 -68.4 -38.0 20.8 -4.2 29.4 396 396 A R H X>S+ 0 0 92 -4,-2.0 4,-2.5 2,-0.2 5,-0.9 0.930 108.7 50.5 -62.9 -46.7 20.8 -2.5 32.8 397 397 A L H X5S+ 0 0 0 -4,-2.9 6,-2.3 1,-0.2 4,-0.6 0.890 117.0 42.4 -57.8 -39.9 20.1 0.8 31.1 398 398 A Y H X5S+ 0 0 69 -4,-1.8 4,-1.0 4,-0.3 -2,-0.2 0.943 116.9 44.3 -68.6 -50.4 17.2 -0.8 29.3 399 399 A D H <5S+ 0 0 66 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.900 128.7 21.9 -71.1 -43.8 15.8 -2.9 32.1 400 400 A T H <5S+ 0 0 73 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.1 0.881 135.2 29.9 -90.9 -43.8 15.8 -0.3 34.9 401 401 A Y H <> - 0 0 2 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.402 25.6-112.6 -59.1 149.1 16.4 1.3 24.2 405 405 A V H 3> S+ 0 0 22 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.850 117.7 53.2 -57.4 -35.5 19.7 -0.2 23.1 406 406 A D H 3> S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.808 105.6 53.8 -72.6 -27.4 19.9 2.2 20.2 407 407 A L H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.957 111.0 45.8 -67.0 -49.0 19.5 5.2 22.5 408 408 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.907 113.1 50.5 -56.0 -44.6 22.4 4.0 24.6 409 409 A A H X S+ 0 0 31 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.849 105.8 56.8 -63.1 -36.3 24.4 3.4 21.4 410 410 A D H X S+ 0 0 3 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.914 109.0 45.2 -61.7 -46.4 23.6 6.9 20.2 411 411 A V H < S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 4,-0.3 0.942 115.3 47.6 -60.3 -48.4 25.1 8.4 23.4 412 412 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-1.8 0.870 104.2 60.3 -63.9 -38.8 28.1 6.2 23.2 413 413 A R H ><5S+ 0 0 98 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.885 97.1 60.5 -55.6 -41.7 28.7 6.9 19.5 414 414 A E T 3<5S+ 0 0 52 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.608 108.8 44.4 -63.1 -12.7 29.1 10.6 20.3 415 415 A R T < 5S- 0 0 113 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.198 121.1-106.0-116.5 13.2 32.1 9.6 22.5 416 416 A N T < 5S+ 0 0 148 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.818 79.5 130.5 66.0 33.0 33.6 7.2 20.0 417 417 A I < - 0 0 35 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.963 46.0-146.5-119.2 133.8 32.5 4.1 22.0 418 418 A K E -m 388 0D 130 -31,-3.4 -29,-3.1 -2,-0.4 2,-0.4 -0.448 12.2-128.7 -88.4 168.6 30.6 1.2 20.5 419 419 A V E -m 389 0D 19 -31,-0.2 2,-1.5 -2,-0.1 -29,-0.2 -0.981 17.9-124.0-121.4 130.3 28.0 -1.0 22.2 420 420 A D > + 0 0 67 -31,-2.9 4,-1.3 -2,-0.4 -26,-0.1 -0.574 34.3 177.7 -75.2 94.2 28.2 -4.7 22.3 421 421 A E H > S+ 0 0 109 -2,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.804 76.1 53.2 -70.8 -36.3 24.8 -5.5 20.7 422 422 A A H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 107.5 53.3 -64.1 -43.9 25.1 -9.2 20.8 423 423 A G H > S+ 0 0 22 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.840 110.4 48.2 -58.0 -36.1 25.9 -9.0 24.5 424 424 A F H X S+ 0 0 16 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.916 110.9 48.8 -70.1 -45.8 22.7 -7.0 24.9 425 425 A E H X S+ 0 0 120 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.868 110.1 52.4 -64.2 -38.2 20.6 -9.4 22.9 426 426 A A H X S+ 0 0 64 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.899 109.1 49.7 -61.6 -43.8 21.9 -12.3 24.9 427 427 A A H X S+ 0 0 24 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.875 109.7 52.7 -62.5 -37.6 21.0 -10.6 28.1 428 428 A M H X S+ 0 0 40 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.888 110.9 45.5 -65.1 -42.2 17.5 -10.0 26.7 429 429 A E H X S+ 0 0 53 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.856 107.6 56.7 -72.0 -37.2 17.0 -13.6 25.9 430 430 A E H X S+ 0 0 91 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.877 108.6 48.4 -61.6 -37.0 18.3 -14.9 29.2 431 431 A Q H X S+ 0 0 59 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.882 109.4 52.3 -69.3 -38.6 15.6 -12.7 30.9 432 432 A R H X S+ 0 0 145 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.864 109.0 51.0 -62.1 -36.8 13.0 -14.1 28.5 433 433 A R H X S+ 0 0 132 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.895 108.5 50.7 -67.3 -41.1 14.2 -17.6 29.6 434 434 A R H X S+ 0 0 116 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.884 109.5 51.6 -62.5 -37.4 13.8 -16.6 33.2 435 435 A A H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 6,-0.3 0.869 112.9 44.5 -68.8 -36.2 10.3 -15.4 32.5 436 436 A R H X S+ 0 0 91 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.915 112.7 51.8 -70.7 -45.6 9.4 -18.7 30.8 437 437 A E H < S+ 0 0 163 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.909 117.7 37.8 -56.0 -46.4 11.0 -20.7 33.6 438 438 A A H < S+ 0 0 92 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.907 122.0 40.6 -75.7 -43.7 9.1 -18.9 36.3 439 439 A S H < S- 0 0 60 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.822 94.8-138.5 -79.2 -33.8 5.7 -18.5 34.6 440 440 A G < 0 0 70 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.597 360.0 360.0 86.7 12.8 5.6 -21.9 33.0 441 441 A F 0 0 205 -6,-0.3 -5,-0.1 -5,-0.3 -4,-0.1 0.327 360.0 360.0-135.0 360.0 4.2 -20.8 29.6