==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 01-OCT-02 1MWR . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 2A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.C.LIM,N.C.J.STRYNADKA . 1253 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 854 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 232 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 0.1 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 . 95 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.6 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 6 7 4 2 7 6 0 3 1 1 1 1 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 0 0 PARALLEL BRIDGES PER LADDER . 10 6 6 3 3 6 4 1 4 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 . 7 10 0 0 1 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 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 27 A D > 0 0 82 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 179.7 59.9 16.2 0.7 2 28 A K H > + 0 0 151 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.940 360.0 48.0 -53.7 -62.2 61.4 13.3 2.6 3 29 A E H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.858 115.1 47.5 -50.3 -42.7 63.4 15.0 5.3 4 30 A I H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.967 113.7 43.3 -66.6 -56.5 60.5 17.2 6.2 5 31 A N H X S+ 0 0 54 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.878 112.7 54.4 -60.4 -36.4 57.8 14.6 6.4 6 32 A N H X S+ 0 0 85 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.916 112.1 44.3 -63.9 -40.5 60.1 12.2 8.3 7 33 A T H X S+ 0 0 5 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.956 113.6 48.0 -67.2 -52.2 60.7 14.9 10.9 8 34 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 3,-0.3 0.879 111.1 53.2 -57.7 -36.5 57.1 16.0 11.2 9 35 A D H X S+ 0 0 50 -4,-2.5 4,-3.9 -5,-0.3 5,-0.3 0.917 99.3 60.9 -64.8 -40.3 56.2 12.3 11.5 10 36 A A H X>S+ 0 0 4 -4,-1.8 5,-2.8 1,-0.2 4,-1.2 0.865 106.8 48.7 -52.1 -34.2 58.8 12.1 14.3 11 37 A I H ><5S+ 0 0 7 -4,-1.4 3,-1.0 -3,-0.3 -2,-0.2 0.979 109.9 48.2 -68.8 -57.6 56.5 14.6 16.0 12 38 A E H 3<5S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.3 40,-0.2 0.917 113.6 49.2 -47.2 -47.4 53.3 12.6 15.2 13 39 A D H 3<5S- 0 0 113 -4,-3.9 -1,-0.3 -5,-0.1 -2,-0.2 0.783 109.2-127.4 -64.0 -28.5 55.1 9.6 16.6 14 40 A K T <<5 + 0 0 73 -4,-1.2 2,-1.5 -3,-1.0 -3,-0.2 0.817 53.6 154.6 80.3 34.2 56.2 11.5 19.7 15 41 A N >< + 0 0 81 -5,-2.8 4,-2.5 1,-0.2 3,-0.3 -0.624 14.9 175.9 -92.5 73.6 59.8 10.5 19.2 16 42 A F H > S+ 0 0 38 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.863 74.8 51.3 -50.1 -43.0 61.1 13.6 21.1 17 43 A K H > S+ 0 0 86 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.920 109.4 50.0 -65.4 -40.6 64.7 12.5 20.8 18 44 A Q H >> S+ 0 0 80 -3,-0.3 4,-1.7 2,-0.2 3,-1.0 0.983 111.2 49.1 -58.5 -55.5 64.5 12.0 17.0 19 45 A V H 3< S+ 0 0 7 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.917 107.2 56.1 -46.1 -52.1 62.9 15.4 16.6 20 46 A Y H >< S+ 0 0 45 -4,-2.6 3,-1.1 1,-0.2 -1,-0.3 0.851 105.1 53.6 -49.8 -39.3 65.7 16.9 18.8 21 47 A K H << S+ 0 0 91 -4,-1.7 -1,-0.2 -3,-1.0 -2,-0.2 0.921 108.4 46.3 -65.7 -45.8 68.2 15.4 16.3 22 48 A D T 3< S+ 0 0 41 -4,-1.7 72,-3.0 -3,-0.3 2,-0.4 0.134 93.1 112.6 -84.3 21.6 66.7 17.0 13.2 23 49 A S B < S-a 94 0A 0 -3,-1.1 72,-0.2 70,-0.2 70,-0.1 -0.793 77.3 -99.4 -99.5 137.8 66.4 20.3 15.0 24 50 A S > - 0 0 0 70,-2.1 4,-1.9 -2,-0.4 5,-0.2 0.009 28.0-121.8 -47.3 156.6 68.5 23.4 14.0 25 51 A Y H > S+ 0 0 169 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.828 110.7 52.3 -73.9 -32.4 71.6 24.0 16.1 26 52 A I H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.1 3,-0.3 0.958 110.3 47.3 -67.9 -50.0 70.5 27.5 17.1 27 53 A S H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 5,-0.4 0.939 111.6 47.6 -59.2 -50.9 67.1 26.3 18.3 28 54 A K H X S+ 0 0 50 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.760 106.8 63.7 -64.1 -19.2 68.4 23.4 20.4 29 55 A S H < S+ 0 0 83 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.953 109.2 34.7 -67.8 -52.0 70.9 25.8 21.8 30 56 A D H < S+ 0 0 120 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.1 0.999 126.4 37.0 -63.5 -71.5 68.4 28.1 23.4 31 57 A N H X S- 0 0 41 -4,-1.4 4,-0.6 65,-0.2 -3,-0.2 0.813 97.0-148.8 -51.6 -45.1 65.8 25.6 24.5 32 58 A G H X - 0 0 25 -4,-1.4 4,-1.5 -5,-0.4 5,-0.1 0.119 30.0 -80.4 85.8 155.0 68.1 22.7 25.5 33 59 A E H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 5,-0.3 0.823 124.0 56.1 -62.8 -35.1 67.5 19.0 25.3 34 60 A V H >>>S+ 0 0 87 2,-0.2 4,-3.4 1,-0.2 5,-1.3 0.994 107.9 44.5 -61.2 -64.2 65.4 18.8 28.5 35 61 A E H 3<5S+ 0 0 50 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.824 119.3 46.8 -48.9 -35.6 62.8 21.4 27.6 36 62 A X H 3<5S+ 0 0 3 -4,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.665 128.4 17.2 -85.8 -18.2 62.6 19.8 24.2 37 63 A T H <<5S+ 0 0 5 -4,-1.5 -2,-0.2 -3,-1.3 -3,-0.2 0.511 127.8 38.2-133.3 -7.1 62.4 16.1 25.1 38 64 A E T >X5S+ 0 0 100 -4,-3.4 4,-1.2 -5,-0.3 3,-0.5 0.765 109.6 52.8-112.2 -44.7 61.4 15.7 28.7 39 65 A R H >> S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.856 100.7 53.0 -52.2 -36.6 56.8 17.3 26.4 41 67 A I H <> S+ 0 0 84 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.871 110.5 49.0 -66.5 -34.2 56.3 13.9 28.1 42 68 A K H S+ 0 0 17 -4,-2.8 5,-2.3 -5,-0.2 4,-1.2 0.842 107.4 55.6 -65.5 -31.5 51.3 15.0 27.2 45 71 A N H <5S+ 0 0 127 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.873 108.1 47.4 -70.1 -34.7 50.7 13.0 30.4 46 72 A S H <5S+ 0 0 31 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.803 115.5 44.8 -76.0 -28.2 48.6 15.7 32.0 47 73 A L H <5S- 0 0 0 -4,-1.6 26,-1.7 -5,-0.2 27,-0.6 0.633 107.4-126.1 -87.3 -14.2 46.5 16.1 28.8 48 74 A G T <5 - 0 0 17 -4,-1.2 -3,-0.2 24,-0.2 -4,-0.1 0.844 37.7-163.8 71.7 33.9 46.2 12.3 28.4 49 75 A V < + 0 0 23 -5,-2.3 23,-0.2 23,-0.2 -1,-0.2 -0.239 24.1 155.3 -56.6 130.5 47.5 12.7 24.8 50 76 A K + 0 0 96 21,-2.5 2,-0.1 1,-0.4 -1,-0.1 0.389 53.3 23.1-118.3-102.9 47.0 9.7 22.5 51 77 A D - 0 0 102 19,-0.1 20,-2.8 21,-0.0 -1,-0.4 -0.420 58.9-167.4 -74.8 144.2 46.9 10.0 18.7 52 78 A I E +C 70 0B 7 -40,-0.2 2,-0.4 18,-0.2 18,-0.2 -0.999 7.0 178.0-131.4 132.1 48.5 12.9 16.9 53 79 A N E -C 69 0B 51 16,-2.4 16,-2.1 -2,-0.4 2,-0.8 -0.953 14.4-166.1-141.5 119.0 48.0 13.8 13.2 54 80 A I E +C 68 0B 4 -2,-0.4 3,-0.2 14,-0.2 14,-0.2 -0.890 27.3 178.9-105.6 104.6 49.4 16.7 11.2 55 81 A Q E +C 67 0B 86 12,-1.5 12,-1.7 -2,-0.8 3,-0.2 -0.339 48.4 29.1 -99.4 179.9 47.4 16.9 8.0 56 82 A D E - 0 0 105 1,-0.2 2,-1.5 10,-0.2 -1,-0.2 0.812 68.9-168.0 34.1 55.4 47.4 19.1 4.9 57 83 A R E - 0 0 50 -3,-0.2 2,-1.6 9,-0.1 9,-0.2 -0.540 4.7-169.7 -73.1 88.6 51.1 19.9 5.1 58 84 A K E -C 65 0B 133 7,-2.4 7,-1.0 -2,-1.5 2,-0.1 -0.634 12.7-160.1 -81.3 87.3 51.4 22.7 2.6 59 85 A I E +C 64 0B 67 -2,-1.6 2,-0.3 5,-0.2 5,-0.2 -0.442 14.8 178.6 -69.9 142.8 55.2 22.9 2.4 60 86 A K 0 0 111 3,-1.6 -2,-0.0 1,-0.1 -1,-0.0 -0.985 360.0 360.0-147.2 156.3 56.6 26.2 1.1 61 87 A K 0 0 217 -2,-0.3 -1,-0.1 3,-0.0 3,-0.0 0.809 360.0 360.0-110.8 360.0 60.0 27.9 0.4 62 ! 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 63 94 A R 0 0 110 0, 0.0 -3,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.3 57.8 27.1 5.9 64 95 A V E -CD 59 83B 1 19,-2.8 19,-1.2 -5,-0.2 2,-0.5 -0.876 360.0-163.6-107.7 138.4 55.2 24.4 6.5 65 96 A D E +CD 58 82B 27 -7,-1.0 -7,-2.4 -2,-0.4 2,-0.3 -0.968 29.1 146.2-123.6 113.7 51.5 25.2 7.1 66 97 A A E - D 0 81B 3 15,-1.9 15,-2.6 -2,-0.5 2,-0.7 -0.869 51.8 -99.9-142.0 174.3 49.5 22.3 8.6 67 98 A Q E -CD 55 80B 60 -12,-1.7 -12,-1.5 -2,-0.3 2,-1.1 -0.879 29.7-156.2-100.8 110.2 46.8 21.2 10.9 68 99 A Y E -CD 54 79B 0 11,-3.0 11,-1.2 -2,-0.7 2,-0.5 -0.765 18.1-175.2 -89.1 100.5 48.2 20.0 14.2 69 100 A K E -CD 53 78B 60 -16,-2.1 -16,-2.4 -2,-1.1 2,-0.4 -0.855 5.8-176.9-102.1 130.4 45.5 17.6 15.5 70 101 A I E -CD 52 77B 0 7,-2.1 7,-3.3 -2,-0.5 2,-0.5 -0.987 16.6-150.6-130.7 125.7 45.8 16.0 19.0 71 102 A K E + D 0 76B 45 -20,-2.8 -21,-2.5 -2,-0.4 2,-0.3 -0.800 30.8 169.0 -91.5 130.4 43.4 13.6 20.5 72 103 A T E > - D 0 75B 5 3,-1.9 3,-1.4 -2,-0.5 -24,-0.2 -0.885 51.9-100.7-137.2 170.5 43.4 13.9 24.3 73 104 A N T 3 S+ 0 0 120 -26,-1.7 -25,-0.1 -2,-0.3 3,-0.1 0.683 125.0 48.8 -66.0 -16.4 41.4 12.7 27.4 74 105 A Y T 3 S- 0 0 75 -27,-0.6 2,-0.3 1,-0.4 -1,-0.3 0.417 126.4 -82.6-101.6 -1.9 39.7 16.1 27.4 75 106 A G E < -D 72 0B 24 -3,-1.4 -3,-1.9 2,-0.0 2,-0.5 -0.842 60.7 -40.8 133.5-170.7 38.9 16.1 23.7 76 107 A N E -D 71 0B 98 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.864 41.3-155.5-107.6 122.4 40.4 16.8 20.3 77 108 A I E +D 70 0B 2 -7,-3.3 -7,-2.1 -2,-0.5 2,-0.3 -0.688 13.8 176.8 -91.5 141.1 42.6 19.7 19.5 78 109 A D E +D 69 0B 84 -2,-0.3 2,-0.3 204,-0.3 -9,-0.2 -0.927 11.0 160.7-147.6 116.7 42.8 21.0 16.0 79 110 A R E -D 68 0B 51 -11,-1.2 -11,-3.0 -2,-0.3 2,-0.2 -0.998 41.0-117.8-146.4 141.5 44.9 24.1 15.2 80 111 A N E +D 67 0B 55 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.526 47.6 168.4 -69.6 133.7 46.6 25.7 12.2 81 112 A V E -D 66 0B 5 -15,-2.6 -15,-1.9 -2,-0.2 2,-0.4 -0.914 27.4-141.7-143.8 171.0 50.3 25.8 12.7 82 113 A Q E -D 65 0B 36 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.975 5.2-159.9-145.2 126.9 53.6 26.5 10.9 83 114 A F E -D 64 0B 6 -19,-1.2 -19,-2.8 -2,-0.4 2,-0.5 -0.872 15.4-144.1-102.6 135.7 56.9 24.8 11.2 84 115 A N - 0 0 58 -2,-0.4 11,-2.8 11,-0.3 2,-0.4 -0.865 14.2-165.8-104.3 132.4 60.0 26.6 10.0 85 116 A F E -B 94 0A 18 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.966 6.8-176.0-121.8 134.7 62.9 24.7 8.3 86 117 A V E -B 93 0A 54 7,-2.3 7,-3.9 -2,-0.4 2,-0.3 -0.961 24.2-124.4-125.5 141.7 66.4 25.9 7.7 87 118 A K E +B 92 0A 131 -2,-0.4 5,-0.2 5,-0.3 2,-0.2 -0.629 40.0 147.7 -89.8 146.0 69.1 24.0 5.7 88 119 A E + 0 0 49 3,-2.0 3,-0.2 -2,-0.3 -2,-0.1 -0.773 63.9 19.9-176.7 130.1 72.5 23.2 7.2 89 120 A D S S- 0 0 138 1,-0.2 2,-1.7 -2,-0.2 3,-0.1 0.798 127.2 -71.0 73.1 29.9 74.9 20.3 6.8 90 121 A G S S+ 0 0 58 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.503 117.7 92.7 87.2 -66.6 73.1 19.5 3.6 91 122 A X S S- 0 0 100 -2,-1.7 -3,-2.0 -3,-0.2 2,-0.4 -0.190 85.3-102.9 -65.1 149.0 69.9 18.3 5.3 92 123 A W E - B 0 87A 85 -5,-0.2 -5,-0.3 -3,-0.1 2,-0.3 -0.600 38.9-148.4 -73.9 121.2 66.9 20.5 6.2 93 124 A K E - B 0 86A 23 -7,-3.9 -7,-2.3 -2,-0.4 2,-0.6 -0.652 9.7-124.5 -96.2 148.5 66.8 21.4 9.9 94 125 A L E -aB 23 85A 1 -72,-3.0 2,-2.4 -2,-0.3 -70,-2.1 -0.794 11.9-144.4 -93.0 117.0 63.7 22.0 12.1 95 126 A D - 0 0 61 -11,-2.8 -11,-0.3 -2,-0.6 -72,-0.1 -0.442 31.7-148.6 -80.0 68.8 63.7 25.4 13.8 96 127 A W + 0 0 7 -2,-2.4 2,-0.3 -77,-0.1 -65,-0.2 -0.006 28.7 162.7 -42.4 132.6 62.1 23.9 17.0 97 128 A D > - 0 0 40 -61,-0.0 3,-1.8 -66,-0.0 4,-0.2 -0.921 53.6 -90.5-145.9 161.7 59.8 26.2 19.0 98 129 A H G >> S+ 0 0 5 -2,-0.3 3,-3.5 1,-0.3 4,-1.4 0.763 115.7 72.4 -50.2 -34.8 57.1 25.2 21.6 99 130 A S G 34 S+ 0 0 15 6,-0.7 -1,-0.3 1,-0.3 7,-0.1 0.491 82.0 76.0 -63.3 3.5 54.2 24.9 19.2 100 131 A V G <4 S+ 0 0 8 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.731 104.4 37.2 -80.0 -22.4 56.1 21.7 18.1 101 132 A I T <4 S+ 0 0 4 -3,-3.5 -2,-0.2 1,-0.3 -1,-0.1 0.850 140.0 4.0 -92.1 -46.4 54.6 20.4 21.4 102 133 A I S >< S- 0 0 0 -4,-1.4 3,-2.3 4,-0.0 -1,-0.3 -0.952 86.5-110.9-143.8 118.2 51.2 22.1 21.4 103 134 A P T 3 S+ 0 0 0 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.303 104.5 22.3 -54.4 126.2 50.1 24.2 18.4 104 135 A G T 3 S+ 0 0 3 1,-0.3 703,-0.1 -25,-0.1 -5,-0.1 0.148 94.6 126.7 104.2 -16.4 49.9 27.9 19.4 105 136 A X < + 0 0 4 -3,-2.3 -6,-0.7 -7,-0.1 -1,-0.3 -0.244 28.8 168.4 -74.5 158.2 52.4 27.6 22.4 106 137 A Q - 0 0 43 -8,-0.2 3,-0.4 -3,-0.1 2,-0.2 -0.559 43.0 -43.0-141.6-150.6 55.5 29.7 23.0 107 138 A K S S+ 0 0 101 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.621 114.7 21.0 -90.9 147.8 58.0 30.4 25.6 108 139 A D S S+ 0 0 110 -2,-0.2 165,-2.6 1,-0.2 2,-0.3 0.910 98.7 109.7 63.3 48.0 57.0 31.0 29.2 109 140 A Q E -E 272 0C 5 -3,-0.4 2,-0.3 163,-0.3 -1,-0.2 -0.879 42.7-169.4-141.2 171.7 53.6 29.3 29.1 110 141 A S E -E 271 0C 27 161,-1.3 161,-2.2 -2,-0.3 2,-0.5 -0.942 32.0 -98.4-155.2 167.8 52.0 26.1 30.3 111 142 A I E -E 270 0C 12 -2,-0.3 2,-0.4 159,-0.2 159,-0.2 -0.851 36.1-160.0 -99.7 128.2 48.8 24.2 29.7 112 143 A H E -E 269 0C 6 157,-2.5 157,-2.5 -2,-0.5 2,-0.6 -0.862 19.5-166.6-109.0 143.1 46.0 24.8 32.2 113 144 A I E +E 268 0C 26 -2,-0.4 2,-0.8 155,-0.2 155,-0.2 -0.876 25.1 174.1-123.5 85.2 43.0 22.5 32.9 114 145 A E - 0 0 27 153,-1.0 -2,-0.1 -2,-0.6 791,-0.0 -0.853 25.7-132.4-106.1 94.3 41.1 25.2 34.9 115 146 A N - 0 0 90 -2,-0.8 2,-0.7 151,-0.2 151,-0.3 0.045 7.2-130.2 -45.1 144.7 37.5 23.7 35.7 116 147 A L B -G 265 0D 33 149,-2.6 149,-2.6 169,-0.2 -1,-0.1 -0.822 19.8-142.0-110.7 100.2 34.2 25.6 35.2 117 148 A K - 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0 0 27 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.532 39.3-106.1 -95.1 166.5 23.9 9.7 64.2 346 377 A N H > S+ 0 0 135 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.851 118.9 54.9 -64.1 -34.7 21.4 6.9 65.0 347 378 A E H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 108.4 45.9 -65.2 -48.0 20.2 8.9 68.1 348 379 A E H > S+ 0 0 104 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.880 116.0 48.5 -63.2 -37.7 19.3 12.0 66.1 349 380 A Y H X S+ 0 0 98 -4,-1.9 4,-1.6 1,-0.2 3,-0.3 0.872 112.5 45.1 -72.5 -38.8 17.6 9.9 63.5 350 381 A N H X S+ 0 0 56 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.852 102.0 66.3 -74.4 -30.7 15.5 7.8 65.8 351 382 A K H < S+ 0 0 128 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.849 110.5 39.2 -54.7 -32.7 14.5 10.9 67.8 352 383 A L H < S+ 0 0 36 -4,-0.7 8,-0.7 -3,-0.3 -1,-0.2 0.797 115.9 48.6 -87.8 -34.1 12.7 11.8 64.6 353 384 A T H < S+ 0 0 69 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.886 120.3 35.8 -75.6 -37.9 11.3 8.4 63.6 354 385 A E S < S+ 0 0 124 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.611 83.5 122.3 -90.4 -15.7 9.9 7.5 67.0 355 386 A D > - 0 0 68 -4,-0.5 3,-1.5 -5,-0.4 5,-0.1 -0.264 64.3-137.2 -48.5 129.8 8.8 11.0 67.9 356 387 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.654 101.4 63.0 -69.6 -16.3 5.1 10.6 68.6 357 388 A K T 3 S- 0 0 91 -44,-0.0 -1,-0.3 -45,-0.0 -43,-0.2 0.369 104.3-133.8 -88.1 5.7 4.2 13.8 66.7 358 389 A E X + 0 0 77 -3,-1.5 3,-1.6 1,-0.1 -2,-0.1 0.880 32.3 179.3 40.8 60.9 5.7 12.1 63.6 359 390 A P T 3 S+ 0 0 3 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.879 77.7 56.9 -55.3 -42.5 7.8 15.0 62.4 360 391 A L T 3 S+ 0 0 39 -8,-0.7 2,-0.2 -5,-0.1 -2,-0.1 0.625 90.0 96.9 -66.3 -12.8 9.2 13.0 59.4 361 392 A L S < S- 0 0 45 -3,-1.6 2,-0.9 -28,-0.1 -141,-0.1 -0.551 74.1-135.6 -80.2 145.5 5.6 12.4 58.3 362 393 A N >> - 0 0 14 -2,-0.2 4,-1.8 1,-0.2 3,-1.2 -0.814 19.9-176.2-102.4 94.7 4.1 14.8 55.6 363 394 A K T 34 S+ 0 0 7 -2,-0.9 -48,-0.2 -49,-0.3 -1,-0.2 0.765 79.6 55.7 -64.4 -25.9 0.6 15.7 56.8 364 395 A F T 34 S+ 0 0 1 -50,-0.2 131,-0.5 1,-0.1 -1,-0.2 0.639 112.4 41.9 -83.5 -8.1 -0.3 17.7 53.7 365 396 A Q T <4 S+ 0 0 44 -3,-1.2 103,-2.0 102,-0.1 -2,-0.2 0.857 103.1 70.1 -98.1 -47.8 0.4 14.8 51.3 366 397 A I S < S- 0 0 44 -4,-1.8 2,-0.1 101,-0.1 126,-0.1 -0.298 88.2-104.1 -71.3 154.8 -1.1 11.8 53.1 367 398 A T + 0 0 19 126,-0.2 126,-0.3 102,-0.2 2,-0.3 -0.469 43.0 174.0 -78.7 151.8 -4.8 11.2 53.6 368 399 A T B -U 492 0K 39 124,-2.3 124,-3.9 -2,-0.1 103,-0.2 -0.827 42.7 -70.2-145.5 178.9 -6.4 11.9 57.0 369 400 A S - 0 0 32 122,-0.3 122,-0.2 -2,-0.3 3,-0.1 -0.704 33.8-145.1 -81.9 124.4 -9.9 12.0 58.5 370 401 A P > + 0 0 2 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.731 35.3 178.4 -59.2 -22.3 -11.9 15.0 57.2 371 402 A G G > - 0 0 0 1,-0.3 3,-1.2 115,-0.2 4,-0.2 -0.281 64.5 -7.6 57.5-133.8 -13.5 15.2 60.6 372 403 A S G > S+ 0 0 0 1,-0.3 3,-0.7 202,-0.2 4,-0.4 0.542 126.6 72.9 -72.1 -9.0 -16.0 18.1 61.0 373 404 A T G X> S+ 0 0 0 -3,-2.1 4,-0.9 1,-0.2 3,-0.9 0.799 83.1 72.1 -73.9 -25.6 -15.0 19.4 57.6 374 405 A Q H <> S+ 0 0 3 -3,-1.2 4,-3.0 -4,-0.3 -1,-0.2 0.775 82.8 71.8 -57.1 -27.3 -16.9 16.4 56.2 375 406 A K H <> S+ 0 0 0 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.906 93.8 50.3 -58.2 -45.6 -20.1 18.3 57.3 376 407 A I H <> S+ 0 0 0 -3,-0.9 4,-1.7 -4,-0.4 -1,-0.2 0.871 112.9 48.8 -61.9 -34.0 -19.8 20.8 54.5 377 408 A L H X S+ 0 0 0 -4,-0.9 4,-2.5 2,-0.2 5,-0.3 0.943 108.8 50.8 -69.3 -48.2 -19.3 18.0 52.1 378 409 A T H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.863 110.9 52.3 -56.3 -35.4 -22.3 16.0 53.4 379 410 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.3 0.871 106.6 51.0 -70.0 -37.4 -24.2 19.3 53.0 380 411 A X H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.951 111.3 47.4 -64.8 -47.3 -23.2 19.7 49.3 381 412 A I H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.884 115.0 48.0 -60.7 -37.4 -24.3 16.1 48.5 382 413 A G H <>S+ 0 0 0 -4,-1.8 5,-1.8 -5,-0.3 6,-1.8 0.801 112.6 46.7 -74.3 -31.1 -27.5 16.8 50.3 383 414 A L H ><5S+ 0 0 7 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.916 112.1 51.2 -76.2 -41.0 -28.1 20.1 48.6 384 415 A N H 3<5S+ 0 0 70 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.951 113.6 43.5 -57.4 -53.0 -27.3 18.6 45.2 385 416 A N T 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.392 110.2-127.5 -74.6 3.5 -29.8 15.7 45.7 386 417 A K T < 5S+ 0 0 173 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.755 78.2 119.4 55.1 28.1 -32.3 18.3 47.1 387 418 A T S - 0 0 66 -2,-0.4 3,-1.7 -3,-0.1 35,-0.2 -0.849 62.4 -77.8-141.0 177.6 -32.6 22.8 51.8 390 421 A D T 3 S+ 0 0 80 1,-0.3 35,-0.1 -2,-0.3 34,-0.1 0.517 128.9 52.9 -59.0 -2.7 -33.0 26.0 53.9 391 422 A K T 3 S+ 0 0 157 32,-0.1 -1,-0.3 33,-0.0 -3,-0.0 0.679 76.4 119.8-105.4 -22.0 -36.1 24.5 55.4 392 423 A T < + 0 0 20 -3,-1.7 32,-0.5 31,-0.0 2,-0.3 -0.069 37.9 171.2 -43.3 142.7 -34.7 21.2 56.6 393 424 A S - 0 0 61 30,-0.2 2,-0.4 31,-0.1 30,-0.2 -0.929 16.7-165.7-161.9 131.8 -35.1 20.9 60.3 394 425 A Y E -V 422 0L 16 28,-1.1 28,-2.1 -2,-0.3 2,-0.8 -0.976 25.6-124.3-125.8 138.5 -34.6 18.0 62.8 395 426 A K E -V 421 0L 161 -2,-0.4 2,-0.6 26,-0.2 26,-0.2 -0.702 34.1-172.6 -80.3 111.2 -35.8 17.7 66.4 396 427 A I E -V 420 0L 3 24,-1.9 2,-0.6 -2,-0.8 24,-0.5 -0.942 3.0-165.4-114.1 118.2 -32.5 17.0 68.2 397 428 A D - 0 0 132 -2,-0.6 3,-0.2 22,-0.2 22,-0.1 -0.896 43.3 -42.2-110.5 117.4 -32.9 16.1 71.9 398 429 A G S S- 0 0 21 -2,-0.6 20,-0.2 1,-0.2 16,-0.1 -0.159 95.5 -35.4 73.3-161.6 -30.0 16.1 74.3 399 430 A K S S+ 0 0 120 18,-0.1 15,-1.9 14,-0.1 2,-0.2 0.891 117.7 22.9 -69.7 -43.6 -26.4 15.0 74.0 400 431 A G E -W 413 0M 23 13,-0.2 2,-0.3 -3,-0.2 13,-0.3 -0.754 57.3-166.6-126.5 173.3 -26.9 11.9 71.8 401 432 A W E -W 412 0M 51 11,-2.2 11,-3.1 -2,-0.2 2,-0.3 -0.988 1.4-170.1-157.1 146.7 -29.3 10.3 69.3 402 433 A Q - 0 0 51 -2,-0.3 9,-0.1 9,-0.2 3,-0.1 -0.986 34.6-121.5-139.3 148.3 -29.9 6.9 67.6 403 434 A K S S- 0 0 102 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.808 83.1 -61.1 -56.6 -30.4 -32.1 5.9 64.7 404 435 A D S > S- 0 0 72 4,-0.1 3,-0.5 -3,-0.0 -1,-0.1 -0.918 74.6 -50.7 176.3-152.3 -33.9 3.4 67.1 405 436 A K G > S+ 0 0 183 -2,-0.3 3,-3.1 1,-0.2 5,-0.1 0.752 112.9 76.4 -84.7 -25.1 -33.1 0.4 69.3 406 437 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.2 3,-0.1 3,-0.1 0.536 86.0 69.0 -64.2 -1.3 -31.3 -1.8 66.7 407 438 A W G X S- 0 0 10 -3,-0.5 3,-2.2 1,-0.3 -1,-0.3 0.455 93.8-157.0 -91.2 -3.2 -28.4 0.6 67.3 408 439 A G T < - 0 0 48 -3,-3.1 -1,-0.3 1,-0.3 -4,-0.1 -0.432 63.4 -24.0 64.1-128.8 -28.2 -1.0 70.8 409 440 A G T 3 S+ 0 0 74 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.423 106.8 118.5 -95.8 1.9 -26.5 1.4 73.1 410 441 A Y < + 0 0 76 -3,-2.2 2,-0.4 -5,-0.1 -3,-0.0 -0.574 40.2 179.7 -75.0 119.8 -24.7 3.2 70.3 411 442 A N - 0 0 66 -2,-0.5 2,-0.6 -9,-0.1 -9,-0.2 -0.950 31.5-130.2-120.8 137.7 -25.6 6.9 70.1 412 443 A V E -W 401 0M 0 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.2 -0.781 39.8-165.8 -79.9 122.7 -24.3 9.5 67.7 413 444 A T E -W 400 0M 67 -2,-0.6 2,-0.3 -13,-0.3 -13,-0.2 -0.705 9.6-146.8-109.1 165.2 -23.4 12.3 70.2 414 445 A R - 0 0 3 -15,-1.9 3,-0.1 -2,-0.2 18,-0.1 -0.890 14.6-134.3-128.6 159.2 -22.6 16.0 69.6 415 446 A Y S S+ 0 0 57 16,-0.4 2,-0.6 -2,-0.3 -1,-0.2 0.978 93.1 40.3 -77.4 -60.3 -20.3 18.5 71.3 416 447 A E S S- 0 0 84 14,-0.5 2,-0.6 15,-0.2 -1,-0.2 -0.811 78.2-146.8 -96.5 124.4 -22.6 21.5 71.6 417 448 A V + 0 0 53 -2,-0.6 2,-0.5 -3,-0.1 -18,-0.1 -0.773 22.4 170.3 -94.4 118.0 -26.2 20.8 72.6 418 449 A V - 0 0 26 -2,-0.6 -22,-0.2 -20,-0.2 -2,-0.0 -0.961 24.7-150.9-124.8 107.2 -28.9 23.1 71.2 419 450 A N + 0 0 104 -2,-0.5 2,-0.4 -22,-0.1 -22,-0.2 -0.260 55.4 33.4 -75.6 165.9 -32.3 21.6 72.0 420 451 A G E S-V 396 0L 40 -24,-0.5 -24,-1.9 2,-0.1 2,-0.5 -0.765 110.0 -7.7 97.8-138.1 -35.4 21.9 70.0 421 452 A N E -V 395 0L 105 -2,-0.4 2,-0.6 -26,-0.2 -26,-0.2 -0.884 61.9-149.9-104.7 128.5 -35.5 22.2 66.2 422 453 A I E -V 394 0L 3 -28,-2.1 -28,-1.1 -2,-0.5 2,-0.1 -0.875 5.0-160.1-106.6 113.2 -32.2 22.6 64.3 423 454 A D > - 0 0 74 -2,-0.6 4,-2.3 -30,-0.2 -30,-0.2 -0.319 35.3-110.9 -76.6 164.8 -32.0 24.6 61.0 424 455 A L H > S+ 0 0 5 -32,-0.5 4,-2.7 -35,-0.2 5,-0.2 0.895 120.2 60.7 -64.8 -36.0 -29.0 23.8 58.7 425 456 A K H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.955 108.5 41.9 -51.8 -54.6 -27.8 27.4 59.5 426 457 A Q H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.910 110.7 56.3 -59.9 -47.1 -27.6 26.4 63.2 427 458 A A H <>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 4,-0.4 0.883 109.5 46.5 -56.5 -39.2 -26.1 23.0 62.5 428 459 A I H ><5S+ 0 0 1 -4,-2.7 3,-1.2 3,-0.2 136,-0.3 0.972 111.2 53.4 -66.3 -50.1 -23.3 24.7 60.6 429 460 A E H 3<5S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.839 121.9 26.6 -52.6 -45.7 -22.8 27.3 63.4 430 461 A S T 3<5S- 0 0 5 -4,-2.5 -14,-0.5 -14,-0.1 -1,-0.3 0.238 106.1-121.5-103.5 13.2 -22.4 24.8 66.3 431 462 A S T < 5 - 0 0 7 -3,-1.2 2,-0.6 -4,-0.4 -16,-0.4 0.931 33.9-153.0 46.1 59.5 -21.1 22.0 64.0 432 463 A D >< - 0 0 1 -5,-1.8 4,-1.5 -6,-0.2 5,-0.3 -0.488 15.3-163.9 -69.6 109.4 -23.9 19.6 65.0 433 464 A N H > S+ 0 0 3 -2,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.859 89.2 47.8 -59.3 -39.3 -22.8 15.9 64.7 434 465 A I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 104.1 58.5 -71.1 -46.7 -26.4 14.6 64.8 435 466 A F H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 116.0 35.0 -48.4 -49.0 -27.9 17.0 62.3 436 467 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.833 109.3 64.0 -78.1 -31.3 -25.4 15.9 59.6 437 468 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.908 109.7 43.1 -56.8 -38.4 -25.5 12.3 60.8 438 469 A R H X S+ 0 0 68 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.885 106.3 57.9 -76.4 -39.1 -29.1 12.4 59.8 439 470 A V H X S+ 0 0 1 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.904 110.3 47.1 -56.5 -38.4 -28.6 14.2 56.5 440 471 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.867 111.4 49.3 -71.2 -35.4 -26.3 11.3 55.6 441 472 A L H < S+ 0 0 35 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.842 110.5 52.7 -71.2 -31.3 -28.9 8.7 56.8 442 473 A E H < S+ 0 0 115 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.921 108.2 49.9 -69.4 -43.2 -31.5 10.6 54.7 443 474 A L H X S- 0 0 6 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.871 103.9-139.8 -63.8 -38.3 -29.4 10.4 51.6 444 475 A G H X - 0 0 27 -4,-1.7 4,-2.4 2,-0.1 3,-0.3 0.362 29.7 -76.1 84.9 139.5 -28.8 6.7 51.9 445 476 A S H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.765 128.6 52.8 -36.2 -45.2 -25.5 4.9 51.1 446 477 A K H > S+ 0 0 126 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.983 112.8 40.2 -59.9 -61.8 -25.9 5.1 47.4 447 478 A K H X S+ 0 0 87 -4,-0.6 4,-3.7 -3,-0.3 5,-0.3 0.910 117.2 50.9 -54.6 -45.1 -26.5 8.9 47.1 448 479 A F H X S+ 0 0 3 -4,-2.4 4,-2.7 -8,-0.2 -1,-0.2 0.918 115.1 41.3 -60.6 -46.4 -23.8 9.5 49.8 449 480 A E H X S+ 0 0 107 -4,-2.6 4,-2.0 -5,-0.3 5,-0.2 0.977 118.5 46.1 -63.7 -56.5 -21.2 7.4 47.9 450 481 A K H >X S+ 0 0 117 -4,-3.3 4,-1.6 -5,-0.3 3,-0.8 0.955 116.4 46.2 -48.2 -58.5 -22.2 8.7 44.5 451 482 A G H 3X S+ 0 0 3 -4,-3.7 4,-1.7 -5,-0.3 -1,-0.2 0.876 108.4 54.0 -53.3 -45.7 -22.2 12.3 45.9 452 483 A X H 3<>S+ 0 0 2 -4,-2.7 5,-1.9 -5,-0.3 -1,-0.3 0.831 113.1 45.8 -60.2 -30.7 -18.9 11.9 47.7 453 484 A K H X<5S+ 0 0 115 -4,-2.0 3,-0.6 -3,-0.8 -1,-0.3 0.729 103.1 62.2 -85.2 -23.4 -17.6 10.8 44.3 454 485 A K H 3<5S+ 0 0 83 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.864 101.8 52.9 -69.4 -33.2 -19.2 13.6 42.4 455 486 A L T 3<5S- 0 0 5 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.593 128.1-103.7 -76.0 -10.2 -17.1 16.0 44.4 456 487 A G T X 5 + 0 0 0 -3,-0.6 3,-1.8 1,-0.3 2,-0.5 0.454 66.5 155.1 102.2 3.3 -14.1 14.0 43.3 457 488 A V T 3 S- 0 0 89 1,-0.1 4,-2.1 -31,-0.0 3,-0.5 -0.716 76.5-142.0 -82.0 121.3 -24.2 -0.2 57.6 477 511 A E H > S+ 0 0 67 -2,-0.5 4,-3.0 1,-0.3 5,-0.2 0.898 100.5 49.7 -50.0 -50.0 -26.4 2.6 58.9 478 512 A I H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.852 110.7 52.4 -60.9 -31.9 -24.1 3.4 61.9 479 513 A L H > S+ 0 0 59 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.881 110.8 45.9 -71.5 -37.6 -21.2 3.5 59.5 480 514 A L H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 3,-0.4 0.960 111.1 54.3 -66.9 -50.6 -22.9 6.0 57.2 481 515 A A H X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.3 3,-0.2 0.902 109.0 44.8 -49.4 -55.4 -24.0 8.1 60.2 482 516 A D H ><>S+ 0 0 12 -4,-2.1 5,-2.8 1,-0.3 3,-0.6 0.805 111.9 55.0 -62.2 -29.3 -20.6 8.6 61.7 483 517 A S H ><5S+ 0 0 5 -4,-1.1 3,-1.9 -3,-0.4 -1,-0.3 0.858 92.8 71.2 -71.1 -34.9 -19.3 9.3 58.1 484 518 A G H 3<5S+ 0 0 0 -4,-2.3 -106,-0.2 1,-0.3 -1,-0.2 0.799 113.5 26.5 -51.7 -30.7 -21.9 12.0 57.9 485 519 A Y T <<5S- 0 0 2 -4,-0.7 -1,-0.3 -3,-0.6 -110,-0.2 0.091 124.3 -93.8-120.6 21.4 -19.9 14.1 60.3 486 520 A G T < 5S+ 0 0 5 -3,-1.9 -115,-0.2 -112,-0.2 -3,-0.2 0.921 94.6 107.5 70.6 49.1 -16.4 12.6 59.7 487 521 A Q < + 0 0 19 -5,-2.8 -4,-0.3 -8,-0.1 -5,-0.1 -0.048 59.0 88.0-141.1 28.9 -16.0 9.9 62.2 488 522 A G S S- 0 0 14 -6,-0.4 82,-0.1 2,-0.2 -8,-0.1 0.125 98.9 -80.8-101.2-140.4 -16.3 6.9 59.9 489 523 A E S S+ 0 0 132 -10,-0.2 2,-0.2 -2,-0.1 -18,-0.0 0.433 85.0 118.1-111.4 -1.4 -13.5 5.2 58.0 490 524 A I - 0 0 16 -20,-0.0 2,-0.4 -121,-0.0 -2,-0.2 -0.487 43.8-165.1 -73.1 131.8 -13.2 7.6 55.1 491 525 A L B +X 471 0N 57 -20,-1.5 -20,-2.3 -2,-0.2 2,-0.3 -0.928 7.9 179.5-118.8 141.9 -9.9 9.4 54.7 492 526 A I B -U 368 0K 0 -124,-3.9 -124,-2.3 -2,-0.4 -23,-0.1 -0.986 31.2-109.6-141.8 149.9 -9.1 12.5 52.5 493 527 A N > - 0 0 0 -25,-0.3 4,-2.2 -2,-0.3 3,-0.2 -0.578 29.8-124.4 -77.8 140.6 -6.1 14.6 51.8 494 528 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.894 108.1 51.2 -50.1 -50.0 -6.2 18.2 53.2 495 529 A V H > S+ 0 0 0 -131,-0.5 4,-3.7 1,-0.2 5,-0.2 0.891 108.2 51.9 -58.7 -42.8 -5.7 20.0 49.8 496 530 A Q H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 111.3 47.9 -59.9 -45.3 -8.4 18.0 48.2 497 531 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.927 112.9 48.2 -60.2 -43.3 -10.7 19.1 51.1 498 532 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.924 108.6 55.8 -60.6 -43.7 -9.5 22.7 50.6 499 533 A S H X S+ 0 0 0 -4,-3.7 4,-0.8 1,-0.2 12,-0.2 0.879 106.9 49.4 -56.9 -40.5 -10.1 22.2 46.9 500 534 A I H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.951 112.8 45.2 -67.1 -47.5 -13.7 21.3 47.6 501 535 A Y H >< S+ 0 0 0 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.884 101.5 68.6 -62.1 -36.4 -14.4 24.2 49.9 502 536 A S H >< S+ 0 0 0 -4,-2.9 3,-2.9 1,-0.3 -1,-0.2 0.789 80.1 77.4 -54.5 -28.6 -12.7 26.6 47.4 503 537 A A G X<>S+ 0 0 0 -3,-1.0 5,-2.1 -4,-0.8 3,-1.0 0.689 79.2 73.5 -55.4 -17.2 -15.6 26.0 45.0 504 538 A L G < 5S+ 0 0 7 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.642 106.1 34.0 -70.3 -17.0 -17.5 28.4 47.3 505 539 A E G < 5S+ 0 0 38 -3,-2.9 -1,-0.2 4,-0.2 -2,-0.2 0.097 112.6 63.0-123.9 18.6 -15.5 31.3 45.8 506 540 A N T X 5S- 0 0 16 -3,-1.0 3,-1.4 -4,-0.1 -2,-0.1 -0.229 119.9 -89.7-137.5 42.5 -15.2 29.9 42.3 507 541 A N T 3 5S- 0 0 129 1,-0.3 20,-0.4 -3,-0.2 -3,-0.2 0.898 85.8 -54.9 49.7 48.7 -18.8 29.8 41.1 508 542 A G T 3 -N 295 0I 5 -221,-0.3 3,-1.4 1,-0.1 -221,-0.2 -0.836 65.1-143.8-102.0 133.6 4.0 25.1 39.7 517 551 A K T 3 S+ 0 0 54 -223,-2.7 -1,-0.1 -2,-0.5 -222,-0.1 0.869 100.5 49.5 -60.7 -37.5 3.6 28.5 38.1 518 552 A D T 3 S+ 0 0 119 -224,-0.4 2,-0.4 2,-0.1 -1,-0.3 0.495 81.1 108.8 -85.4 3.2 3.7 27.2 34.6 519 553 A T S < S- 0 0 41 -3,-1.4 2,-0.3 1,-0.1 -5,-0.1 -0.648 79.6-116.0 -73.6 130.2 1.2 24.4 35.2 520 554 A K - 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