==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-OCT-10 3PCT . COMPND 2 MOLECULE: CLASS C ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR H.SINGH,T.J.MALINSKI,T.J.REILLY,J.J.TANNER . 754 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.9 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 3 0 0 0 1 7 10 7 0 0 2 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 5 4 1 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 PARALLEL BRIDGES PER LADDER . 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 A N > 0 0 143 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 161.2 47.1 42.6 15.7 2 4 A Q H > + 0 0 72 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.871 360.0 55.1 -53.8 -45.8 45.1 42.1 18.9 3 5 A Q H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.954 112.3 42.0 -53.4 -56.3 41.7 42.0 17.1 4 6 A A H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 113.8 54.0 -56.8 -44.1 42.8 39.2 14.7 5 7 A V H X S+ 0 0 78 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.907 110.4 45.1 -59.3 -45.8 44.5 37.4 17.6 6 8 A E H X S+ 0 0 58 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.880 112.4 52.5 -66.7 -38.8 41.4 37.4 19.7 7 9 A Q H X S+ 0 0 63 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.913 109.6 47.9 -64.2 -43.9 39.2 36.4 16.8 8 10 A A H X S+ 0 0 58 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.900 115.2 46.8 -62.2 -39.7 41.4 33.4 16.0 9 11 A N H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.865 110.1 50.8 -72.5 -38.9 41.4 32.4 19.7 10 12 A Q H X S+ 0 0 40 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.922 111.4 50.2 -62.6 -42.2 37.6 32.8 20.1 11 13 A A H X S+ 0 0 38 -4,-2.4 4,-2.5 -5,-0.2 3,-0.3 0.915 108.7 51.9 -60.3 -43.4 37.3 30.6 17.0 12 14 A K H X S+ 0 0 117 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.909 106.5 54.0 -58.9 -41.8 39.7 28.1 18.6 13 15 A L H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 110.7 46.9 -61.4 -31.0 37.5 28.1 21.8 14 16 A Q H >< S+ 0 0 15 -4,-1.4 3,-1.7 -3,-0.3 4,-0.4 0.877 104.3 58.6 -81.9 -39.6 34.5 27.3 19.6 15 17 A Q H >< S+ 0 0 77 -4,-2.5 3,-1.1 1,-0.3 4,-0.4 0.819 97.0 65.0 -55.8 -32.0 36.1 24.5 17.6 16 18 A Q T 3< S+ 0 0 17 -4,-1.3 248,-2.9 1,-0.2 249,-0.6 0.615 100.1 50.3 -67.9 -14.1 36.8 22.7 21.0 17 19 A V T <> S+ 0 0 8 -3,-1.7 4,-2.4 247,-0.2 -1,-0.2 0.522 83.5 98.0 -99.0 -4.3 33.1 22.2 21.6 18 20 A A H <> S+ 0 0 1 -3,-1.1 4,-2.9 -4,-0.4 5,-0.2 0.869 82.2 44.8 -54.4 -52.6 32.4 20.7 18.1 19 21 A M H > S+ 0 0 0 242,-2.2 4,-2.6 -4,-0.4 -1,-0.2 0.869 114.9 48.2 -65.3 -39.2 32.4 17.0 19.0 20 22 A G H > S+ 0 0 0 241,-0.6 4,-2.3 -4,-0.2 -1,-0.2 0.867 113.3 47.7 -65.8 -37.7 30.3 17.5 22.1 21 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.927 112.4 49.4 -70.4 -43.1 27.8 19.6 20.2 22 24 A I H X>S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.6 0.917 111.6 49.1 -60.0 -45.7 27.8 17.0 17.4 23 25 A W H X5S+ 0 0 1 -4,-2.6 4,-1.7 3,-0.2 7,-0.4 0.930 113.3 48.0 -56.0 -47.0 27.2 14.2 20.0 24 26 A T H <5S+ 0 0 11 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.916 119.0 37.7 -62.5 -44.7 24.4 16.3 21.5 25 27 A Q H <5S+ 0 0 21 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.777 131.2 23.0 -80.4 -27.0 22.7 17.0 18.2 26 28 A Q H <5S+ 0 0 43 -4,-2.4 415,-0.2 -5,-0.2 -3,-0.2 0.772 90.4 100.9-112.5 -37.4 23.2 13.7 16.4 27 29 A S X< - 0 0 3 -4,-1.7 4,-1.2 -5,-0.6 5,-0.1 -0.248 55.2-149.8 -66.7 139.0 23.8 10.8 18.8 28 30 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.769 100.3 68.0 -64.1 -28.1 21.1 8.3 19.7 29 31 A E H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.925 97.2 47.7 -61.3 -45.3 23.1 8.2 22.9 30 32 A Y H > S+ 0 0 17 -7,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.945 111.5 50.3 -62.6 -43.3 22.2 11.7 24.0 31 33 A A H X S+ 0 0 11 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.897 109.3 52.0 -60.2 -39.1 18.5 11.1 23.2 32 34 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.832 106.4 54.1 -67.2 -32.3 18.6 7.9 25.3 33 35 A L H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.891 107.3 50.9 -69.0 -38.7 20.2 9.9 28.2 34 36 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 112.9 45.1 -61.9 -47.5 17.3 12.4 28.1 35 37 A H H X S+ 0 0 24 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.844 109.8 55.6 -65.3 -34.8 14.7 9.6 28.2 36 38 A Q H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.935 110.2 46.6 -62.8 -44.1 16.7 7.9 31.0 37 39 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.921 115.3 44.1 -59.6 -48.0 16.4 11.1 33.0 38 40 A F H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.841 112.1 52.1 -75.7 -31.5 12.7 11.6 32.3 39 41 A N H X S+ 0 0 28 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.910 111.4 48.7 -60.8 -45.2 11.8 7.9 32.9 40 42 A S H X S+ 0 0 17 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.882 111.3 50.5 -61.7 -39.2 13.7 8.2 36.3 41 43 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.909 107.1 51.9 -70.3 -40.2 11.8 11.4 37.0 42 44 A K H X S+ 0 0 66 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.939 111.8 47.9 -59.6 -47.7 8.3 9.9 36.3 43 45 A M H X S+ 0 0 108 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.935 112.2 48.4 -55.8 -51.6 9.1 7.0 38.7 44 46 A A H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.885 113.3 48.2 -58.6 -40.7 10.4 9.4 41.4 45 47 A F H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.917 107.5 53.8 -67.1 -45.1 7.3 11.6 41.1 46 48 A D H < S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 115.1 42.1 -58.7 -33.6 4.8 8.7 41.2 47 49 A H H < S+ 0 0 72 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.859 91.7 102.0 -82.9 -37.7 6.4 7.5 44.4 48 50 A A < 0 0 23 -4,-2.2 121,-0.1 -5,-0.2 4,-0.1 -0.158 360.0 360.0 -54.6 134.3 6.8 10.9 46.1 49 51 A K 0 0 209 120,-0.1 -1,-0.1 3,-0.0 -2,-0.1 -0.816 360.0 360.0-110.9 360.0 4.3 11.9 48.8 50 ! 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 51 57 A K 0 0 148 0, 0.0 116,-3.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 140.4 0.7 20.3 47.4 52 58 A K E -a 167 0A 42 58,-0.5 60,-1.8 114,-0.2 2,-0.3 -0.712 360.0-179.0 -93.3 125.1 3.2 18.4 45.2 53 59 A A E -ab 168 112A 0 114,-2.6 116,-2.5 -2,-0.5 117,-0.7 -0.885 18.0-157.8-121.5 154.1 5.5 20.4 43.0 54 60 A V E -ab 170 113A 0 58,-2.3 60,-2.8 -2,-0.3 2,-0.4 -0.998 13.7-155.2-127.3 126.2 8.3 19.6 40.5 55 61 A V E +ab 171 114A 3 115,-2.6 117,-2.4 -2,-0.4 2,-0.3 -0.868 17.9 172.7-104.8 133.7 10.9 22.2 39.7 56 62 A V E -ab 172 115A 1 58,-2.5 60,-1.9 -2,-0.4 2,-0.2 -0.968 28.9-129.3-137.6 150.9 12.8 22.2 36.5 57 63 A D - 0 0 15 115,-1.5 5,-0.3 -2,-0.3 60,-0.2 -0.513 19.6-149.5 -82.9 163.9 15.3 24.3 34.6 58 64 A L >>> + 0 0 0 58,-0.2 3,-2.6 -2,-0.2 5,-2.2 0.848 67.1 74.1-101.5 -69.6 14.4 25.1 30.9 59 65 A D B 345S-f 63 0B 11 1,-0.3 115,-0.2 2,-0.2 5,-0.2 -0.243 120.8 -5.5 -58.0 122.6 17.5 25.6 28.7 60 66 A E T 345S+ 0 0 4 3,-3.1 -1,-0.3 1,-0.1 4,-0.1 0.582 134.4 65.0 69.4 11.5 19.2 22.3 27.9 61 67 A T T <45S- 0 0 0 -3,-2.6 -2,-0.2 2,-0.4 -3,-0.2 0.609 124.0 -1.2-119.3 -65.3 16.8 20.6 30.3 62 68 A M T <5S+ 0 0 0 -4,-2.0 34,-2.0 -5,-0.3 2,-0.3 0.687 133.7 43.5 -98.1 -29.0 13.2 20.9 28.9 63 69 A I E > + 0 0 3 -2,-0.6 3,-1.6 28,-0.2 4,-0.9 0.008 38.8 122.0-105.9 25.8 19.1 25.6 22.4 66 72 A S H 3> + 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.733 63.3 69.8 -66.2 -21.4 21.9 23.7 20.6 67 73 A A H 3> S+ 0 0 14 -3,-0.3 426,-2.8 1,-0.2 4,-2.1 0.815 95.3 55.4 -64.3 -29.7 21.3 25.7 17.4 68 74 A Y H <> S+ 0 0 1 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.916 107.2 48.0 -66.4 -44.4 22.7 28.7 19.3 69 75 A A H X S+ 0 0 8 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.905 109.9 53.6 -61.4 -40.6 25.9 26.7 20.1 70 76 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 421,-0.4 422,-0.2 0.925 106.5 51.9 -57.5 -45.1 26.0 25.7 16.4 71 77 A W H X S+ 0 0 25 -4,-2.1 4,-2.2 420,-0.2 6,-0.4 0.898 108.2 52.7 -58.4 -41.4 25.8 29.4 15.5 72 78 A Q H X>S+ 0 0 20 -4,-2.1 4,-1.8 1,-0.2 5,-0.7 0.967 110.2 46.4 -56.5 -56.2 28.8 30.0 17.8 73 79 A V H <5S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.890 115.8 45.3 -53.0 -45.8 31.0 27.3 16.2 74 80 A Q H <5S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 122.5 35.0 -71.0 -34.9 30.2 28.5 12.6 75 81 A S H <5S- 0 0 48 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.508 100.4-131.3 -99.6 -7.9 30.6 32.2 13.3 76 82 A G T <5 + 0 0 16 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.618 60.7 138.5 66.2 14.3 33.4 31.7 15.8 77 83 A Q < - 0 0 98 -5,-0.7 -1,-0.2 -6,-0.4 -2,-0.2 -0.709 46.6-134.9 -94.4 142.5 31.7 34.1 18.2 78 84 A G - 0 0 14 -2,-0.3 680,-0.1 1,-0.2 -1,-0.1 -0.329 40.8 -70.4 -84.4 171.9 31.4 33.5 21.9 79 85 A F + 0 0 33 678,-0.2 -1,-0.2 -2,-0.1 678,-0.2 -0.301 52.7 171.2 -63.7 142.4 28.3 33.9 24.0 80 86 A S > - 0 0 28 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.968 40.4-125.7-149.6 146.0 26.9 37.4 24.7 81 87 A P H > S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.840 109.0 56.9 -55.4 -38.6 23.7 38.5 26.4 82 88 A K H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.943 112.3 37.7 -61.0 -51.4 22.8 40.7 23.3 83 89 A T H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.852 112.4 58.7 -74.0 -31.0 22.9 37.8 20.8 84 90 A W H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.930 105.6 49.5 -59.0 -46.3 21.3 35.3 23.3 85 91 A T H X S+ 0 0 20 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.898 108.2 53.8 -60.6 -40.4 18.3 37.6 23.5 86 92 A K H X S+ 0 0 38 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.913 109.7 48.3 -56.7 -44.4 18.2 37.7 19.7 87 93 A W H <>S+ 0 0 1 -4,-2.4 5,-0.5 2,-0.2 3,-0.3 0.915 110.6 50.2 -61.9 -44.8 18.1 33.9 19.7 88 94 A V H ><5S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.921 111.8 48.5 -60.5 -42.8 15.4 33.8 22.4 89 95 A D H 3<5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.710 96.0 71.8 -69.6 -21.6 13.3 36.2 20.3 90 96 A A T 3<5S- 0 0 29 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.608 94.1-145.8 -71.7 -8.9 13.9 34.1 17.2 91 97 A R T < 5 + 0 0 82 -3,-1.3 -3,-0.1 -4,-0.3 -2,-0.1 0.911 57.0 126.3 45.6 60.9 11.5 31.7 18.8 92 98 A Q < + 0 0 95 -5,-0.5 -1,-0.1 -4,-0.1 -25,-0.1 0.187 24.5 138.9-129.5 14.2 13.2 28.5 17.4 93 99 A S - 0 0 0 -5,-0.2 2,-0.2 -6,-0.1 -28,-0.2 -0.321 39.3-146.9 -65.2 146.7 13.8 26.5 20.5 94 100 A A E -G 64 0B 39 -30,-1.7 -30,-3.7 41,-0.0 2,-0.3 -0.714 18.7 -99.8-110.3 162.1 13.2 22.8 20.2 95 101 A A E -G 63 0B 40 -32,-0.2 -32,-0.2 -2,-0.2 3,-0.1 -0.661 30.3-127.3 -81.9 137.2 11.9 20.2 22.8 96 102 A I >> - 0 0 2 -34,-2.0 3,-1.6 -2,-0.3 4,-0.6 -0.555 47.2 -86.3 -77.0 144.1 14.4 17.9 24.5 97 103 A P T 34 S+ 0 0 45 0, 0.0 -59,-0.2 0, 0.0 -1,-0.1 -0.325 110.5 5.7 -60.8 135.8 13.3 14.3 24.1 98 104 A G T 3> S+ 0 0 20 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 0.114 100.5 106.6 87.2 -21.6 10.8 13.1 26.7 99 105 A A H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.2 5,-0.3 0.928 76.5 46.5 -61.6 -50.9 10.5 16.6 28.3 100 106 A V H X S+ 0 0 34 -4,-0.6 4,-2.4 1,-0.2 5,-0.3 0.951 113.7 48.7 -59.8 -47.8 7.0 17.5 27.0 101 107 A E H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.939 113.4 46.9 -56.0 -49.3 5.5 14.1 28.0 102 108 A F H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.957 113.7 47.0 -58.4 -53.0 7.0 14.2 31.5 103 109 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.894 115.4 44.3 -57.1 -46.0 5.9 17.8 32.2 104 110 A N H X S+ 0 0 41 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.818 111.1 56.7 -72.1 -28.1 2.4 17.3 30.9 105 111 A Y H X S+ 0 0 47 -4,-2.1 4,-0.7 -5,-0.3 -2,-0.2 0.923 107.3 47.4 -65.2 -47.0 2.2 14.1 32.8 106 112 A V H ><>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 3,-1.4 0.962 112.3 49.3 -58.0 -50.9 3.1 15.8 36.1 107 113 A N H 3<5S+ 0 0 42 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.768 115.0 43.5 -65.0 -27.7 0.5 18.5 35.6 108 114 A A H 3<5S+ 0 0 81 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.454 111.8 56.3 -95.5 -0.6 -2.3 16.1 34.7 109 115 A N T <<5S- 0 0 84 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.1 -0.189 125.8 -69.4-131.9 44.5 -1.5 13.6 37.5 110 116 A G T 5S+ 0 0 67 -3,-0.4 -58,-0.5 1,-0.3 2,-0.3 0.543 101.7 91.1 91.3 9.1 -1.5 15.4 40.8 111 117 A G < - 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0 0 10 -5,-1.9 3,-0.4 -34,-0.0 -1,-0.3 -0.550 28.4-151.5 -68.3 114.6 4.0 22.5 27.4 138 144 A T + 0 0 68 -2,-0.6 -31,-0.1 -38,-0.2 -1,-0.0 -0.474 67.5 33.2 -81.3 157.8 0.9 22.9 29.5 139 145 A G + 0 0 33 1,-0.2 2,-0.8 -2,-0.1 -1,-0.2 0.752 68.8 147.8 76.3 28.1 0.6 25.0 32.6 140 146 A V + 0 0 36 -3,-0.4 -1,-0.2 -11,-0.1 2,-0.2 -0.844 25.9 127.2 -98.7 107.2 3.0 27.9 31.8 141 147 A N S > S- 0 0 77 -2,-0.8 4,-1.7 0, 0.0 -12,-0.0 -0.690 74.2 -71.6-143.6-165.6 1.8 31.1 33.4 142 148 A D T 4 S+ 0 0 108 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.706 129.4 44.3 -70.3 -20.4 2.6 34.1 35.6 143 149 A K T 4 S+ 0 0 95 1,-0.1 -1,-0.2 3,-0.0 -3,-0.1 0.822 118.7 37.9 -88.9 -38.5 2.6 31.8 38.6 144 150 A T T 4 S+ 0 0 5 1,-0.1 -29,-3.1 -30,-0.1 2,-0.8 0.581 98.5 78.5 -97.5 -11.3 4.6 28.9 37.3 145 151 A L E < -c 115 0A 13 -4,-1.7 2,-1.0 -31,-0.2 -29,-0.2 -0.837 55.4-179.0-105.1 100.9 7.2 30.6 35.1 146 152 A L E -c 116 0A 17 -31,-1.9 -29,-1.6 -2,-0.8 3,-0.1 -0.751 11.7-179.7-103.8 87.4 9.9 32.0 37.4 147 153 A L E - 0 0 4 -2,-1.0 -27,-0.2 -31,-0.2 -29,-0.2 -0.301 36.9 -74.2 -83.8 171.4 12.4 33.8 35.1 148 154 A K E +c 120 0A 41 -29,-2.6 -27,-2.8 -31,-0.5 -26,-0.4 -0.395 50.1 162.2 -74.1 135.4 15.6 35.5 36.2 149 155 A K S S- 0 0 152 2,-0.4 -1,-0.1 -29,-0.2 -27,-0.1 0.466 73.5 -27.3-108.8-101.1 15.5 38.9 37.9 150 156 A D S S+ 0 0 138 1,-0.1 2,-0.4 2,-0.0 -2,-0.1 0.609 121.8 60.9 -95.0 -14.0 18.5 40.2 39.8 151 157 A K - 0 0 101 1,-0.1 -2,-0.4 2,-0.1 -1,-0.1 -0.940 53.3-160.5-126.8 138.8 20.0 36.8 40.8 152 158 A S S S+ 0 0 50 -2,-0.4 -1,-0.1 -4,-0.1 2,-0.1 0.779 75.0 86.0 -82.2 -30.2 21.4 33.8 39.0 153 159 A N S S- 0 0 18 1,-0.1 3,-0.3 31,-0.0 4,-0.3 -0.435 70.4-147.1 -69.3 152.4 21.1 31.4 41.9 154 160 A K S > S+ 0 0 4 23,-0.4 4,-3.0 1,-0.2 5,-0.2 0.438 70.2 99.3-104.9 -0.1 17.7 29.8 42.3 155 161 A S H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.818 85.5 51.5 -60.4 -32.8 17.2 29.4 46.1 156 162 A V H > S+ 0 0 69 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.907 113.2 42.5 -70.0 -45.0 15.0 32.6 46.2 157 163 A R H > S+ 0 0 17 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.896 112.6 55.9 -66.5 -38.3 12.7 31.5 43.4 158 164 A F H X S+ 0 0 15 -4,-3.0 4,-1.8 1,-0.2 3,-0.2 0.932 107.9 47.5 -56.7 -47.2 12.7 28.0 45.0 159 165 A K H X S+ 0 0 124 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.827 105.5 59.1 -65.1 -33.2 11.5 29.5 48.3 160 166 A Q H < S+ 0 0 99 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.869 104.6 51.9 -60.5 -37.8 8.8 31.5 46.5 161 167 A V H ><>S+ 0 0 0 -4,-1.8 3,-1.1 -3,-0.2 5,-0.8 0.942 110.5 46.9 -62.4 -47.4 7.5 28.2 45.3 162 168 A E H >X5S+ 0 0 91 -4,-1.8 3,-1.8 1,-0.3 4,-0.5 0.876 106.1 58.0 -65.1 -37.5 7.4 26.8 48.8 163 169 A D T 3<5S+ 0 0 141 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.582 94.4 66.5 -70.8 -9.7 5.7 29.9 50.2 164 170 A M T <45S- 0 0 71 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.401 131.2 -93.5 -86.7 2.0 2.9 29.4 47.8 165 171 A G T <45S+ 0 0 41 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.788 81.7 137.3 92.4 33.1 2.2 26.2 49.8 166 172 A Y << - 0 0 24 -5,-0.8 2,-0.6 -4,-0.5 -1,-0.3 -0.852 47.1-146.9-110.7 146.7 4.1 23.7 47.8 167 173 A D E -a 52 0A 84 -116,-3.2 -114,-2.6 -2,-0.3 2,-0.9 -0.954 22.1-140.5-102.7 113.5 6.4 20.8 48.7 168 174 A I E +a 53 0A 13 -2,-0.6 -114,-0.2 -116,-0.2 3,-0.1 -0.642 27.8 172.7 -76.9 106.4 9.1 20.5 46.0 169 175 A V E + 0 0 24 -116,-2.5 2,-0.3 -2,-0.9 -1,-0.2 0.633 60.9 23.9 -90.4 -13.4 9.4 16.7 45.6 170 176 A L E -a 54 0A 1 -117,-0.7 -115,-2.6 -122,-0.0 2,-0.4 -0.986 57.6-158.6-159.6 133.5 11.7 16.7 42.6 171 177 A F E -ad 55 206A 31 34,-2.9 36,-3.2 -2,-0.3 2,-0.4 -0.968 10.7-167.8-118.7 135.8 14.3 18.9 40.9 172 178 A V E +ad 56 207A 1 -117,-2.4 -115,-1.5 -2,-0.4 2,-0.3 -0.950 24.9 124.0-122.4 139.6 15.4 18.5 37.2 173 179 A G E - d 0 208A 0 34,-2.6 36,-2.1 -2,-0.4 -113,-0.1 -0.990 57.7-128.6-177.5 169.9 18.4 20.2 35.5 174 180 A D S S+ 0 0 9 -2,-0.3 2,-0.4 -115,-0.2 37,-0.2 0.421 95.4 61.4-108.6 -7.0 21.6 20.2 33.5 175 181 A N S > S- 0 0 18 1,-0.1 3,-2.4 35,-0.1 4,-0.1 -0.964 80.3-131.7-124.0 137.3 23.5 22.4 36.1 176 182 A L G > S+ 0 0 1 -2,-0.4 3,-2.0 1,-0.3 7,-0.2 0.820 106.8 68.1 -62.0 -27.0 24.1 21.4 39.7 177 183 A N G > S+ 0 0 8 1,-0.3 3,-1.5 2,-0.2 -23,-0.4 0.699 83.2 75.3 -61.2 -18.9 22.9 24.8 40.8 178 184 A D G < S+ 0 0 7 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.485 92.9 53.8 -71.6 -1.8 19.5 23.6 39.6 179 185 A F G < S- 0 0 15 -3,-2.0 -1,-0.3 1,-0.5 2,-0.2 0.330 127.8 -63.5-113.0 3.4 19.4 21.5 42.8 180 186 A G X - 0 0 17 -3,-1.5 3,-0.8 -4,-0.1 -1,-0.5 -0.661 61.0 -68.6 134.1 172.9 20.0 24.4 45.2 181 187 A D G > S+ 0 0 51 1,-0.2 3,-1.7 -2,-0.2 -4,-0.1 0.508 97.3 99.9 -74.5 -5.0 22.7 27.0 46.1 182 188 A A G 3 S+ 0 0 64 1,-0.3 -1,-0.2 -6,-0.1 -5,-0.1 0.806 92.5 35.0 -53.1 -34.1 25.2 24.4 47.5 183 189 A T G X S+ 0 0 1 -3,-0.8 3,-1.9 -7,-0.2 -1,-0.3 0.443 87.0 134.6 -97.6 -1.2 27.2 24.4 44.3 184 190 A Y T < S- 0 0 60 -3,-1.7 3,-0.1 1,-0.3 -3,-0.0 -0.266 83.7 -11.1 -63.0 127.4 26.7 28.1 43.4 185 191 A K T 3 S+ 0 0 126 1,-0.2 -1,-0.3 -2,-0.0 2,-0.2 0.617 103.6 137.5 60.2 16.5 29.9 29.9 42.3 186 192 A K < - 0 0 79 -3,-1.9 -1,-0.2 1,-0.1 -3,-0.1 -0.534 57.7-100.7 -91.7 159.9 32.0 26.9 43.5 187 193 A S > - 0 0 42 -2,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.253 34.3-108.7 -68.6 160.9 35.0 25.2 41.8 188 194 A N H > S+ 0 0 2 32,-2.5 4,-3.2 1,-0.2 5,-0.2 0.910 120.4 55.5 -56.3 -42.6 34.6 22.0 39.8 189 195 A A H > S+ 0 0 51 31,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.914 110.4 44.8 -57.5 -44.0 36.4 20.1 42.5 190 196 A E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.894 112.5 51.3 -67.1 -42.6 34.0 21.4 45.2 191 197 A R H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.908 108.0 53.2 -60.8 -42.0 31.0 20.6 42.9 192 198 A R H X S+ 0 0 84 -4,-3.2 4,-2.1 79,-0.2 -1,-0.2 0.771 107.1 52.0 -62.7 -26.7 32.4 17.1 42.4 193 199 A D H X S+ 0 0 116 -4,-1.0 4,-2.8 -3,-0.3 -1,-0.2 0.876 105.9 53.6 -79.2 -36.5 32.5 16.7 46.2 194 200 A F H X S+ 0 0 36 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.925 109.2 50.2 -55.8 -48.2 28.9 17.7 46.5 195 201 A V H >< S+ 0 0 2 -4,-2.2 3,-1.0 2,-0.2 6,-0.2 0.967 111.5 46.9 -55.1 -54.5 28.1 15.0 44.0 196 202 A A H >< S+ 0 0 59 -4,-2.1 3,-1.5 1,-0.3 4,-0.2 0.922 112.1 50.1 -55.3 -48.6 30.0 12.3 45.9 197 203 A K H 3< S+ 0 0 81 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.702 122.5 33.5 -65.3 -19.8 28.4 13.4 49.2 198 204 A N T XX S+ 0 0 57 -4,-1.2 3,-2.7 -3,-1.0 4,-0.5 0.083 79.0 130.9-119.8 21.7 24.9 13.2 47.6 199 205 A S G X4 + 0 0 20 -3,-1.5 3,-0.8 1,-0.3 85,-0.1 0.775 69.4 55.2 -52.4 -38.0 25.6 10.4 45.2 200 206 A K G 34 S+ 0 0 109 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.644 96.5 68.7 -72.3 -13.3 22.4 8.4 46.1 201 207 A A G X>>S+ 0 0 13 -3,-2.7 4,-2.4 -6,-0.2 3,-2.0 0.781 73.4 100.9 -73.6 -27.4 20.2 11.4 45.4 202 208 A F B <<5S+e 206 0A 0 -3,-0.8 5,-0.2 -4,-0.5 82,-0.2 -0.453 92.0 14.3 -78.3 123.9 20.7 11.5 41.6 203 209 A G T 345S+ 0 0 10 3,-3.0 -1,-0.3 -2,-0.3 4,-0.2 0.436 127.6 61.0 91.5 4.1 17.8 9.9 39.7 204 210 A K T <45S- 0 0 53 -3,-2.0 -2,-0.2 2,-0.5 3,-0.1 0.659 128.8 -9.4-126.1 -58.2 15.7 10.1 42.9 205 211 A K T <5S+ 0 0 102 -4,-2.4 -34,-2.9 1,-0.2 2,-0.6 0.621 134.7 52.7-111.3 -27.6 15.3 13.8 44.0 206 212 A F E > S- 0 0 6 -2,-0.3 3,-1.7 -3,-0.1 4,-0.8 -0.903 73.1 -57.8 150.2-177.8 27.5 25.8 32.2 216 222 A D H 3> S+ 0 0 37 1,-0.3 4,-1.7 -2,-0.3 -1,-0.1 0.517 118.7 75.6 -77.6 -3.5 28.9 26.6 35.6 217 223 A W H 34 S+ 0 0 3 2,-0.2 -1,-0.3 1,-0.1 -29,-0.1 0.638 93.1 56.2 -71.7 -16.7 31.4 23.8 35.1 218 224 A E H X4 S+ 0 0 20 -3,-1.7 3,-1.6 2,-0.1 4,-0.3 0.941 110.1 40.5 -73.8 -53.4 33.0 26.4 32.8 219 225 A G H >< S+ 0 0 23 -4,-0.8 3,-1.4 1,-0.3 6,-0.3 0.849 106.2 67.6 -61.8 -32.8 33.3 29.0 35.5 220 226 A G T 3< S+ 0 0 10 -4,-1.7 -32,-2.5 1,-0.3 -31,-0.3 0.421 81.7 78.4 -69.7 2.2 34.3 26.3 37.9 221 227 A L T < S- 0 0 30 -3,-1.6 2,-0.3 1,-0.3 -1,-0.3 0.811 112.1 -6.1 -78.6 -29.8 37.5 25.8 36.0 222 228 A D X - 0 0 72 -3,-1.4 3,-2.0 -4,-0.3 -1,-0.3 -0.935 62.1-121.5-168.3 138.4 39.2 28.8 37.5 223 229 A K T 3 S+ 0 0 100 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.720 117.7 36.1 -58.1 -24.4 38.2 31.7 39.8 224 230 A N T >> S+ 0 0 103 1,-0.1 4,-1.0 2,-0.1 3,-0.7 -0.103 78.0 125.8-120.3 33.8 39.2 34.2 37.1 225 231 A Y T <4 S+ 0 0 5 -3,-2.0 3,-0.4 -6,-0.3 -1,-0.1 0.912 81.7 36.7 -57.6 -46.6 38.1 32.2 34.1 226 232 A F T 34 S+ 0 0 29 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.379 105.1 70.5 -94.4 4.2 36.0 35.0 32.7 227 233 A K T <4 S+ 0 0 144 -3,-0.7 -1,-0.2 529,-0.1 -2,-0.2 0.729 92.3 70.1 -85.9 -25.8 38.3 37.8 33.7 228 234 A G S < S- 0 0 21 -4,-1.0 2,-0.0 -3,-0.4 5,-0.0 -0.379 86.8-103.6 -89.9 167.6 40.9 36.8 31.2 229 235 A D > - 0 0 86 -2,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.164 48.1 -86.0 -77.2-178.5 41.0 37.1 27.4 230 236 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.823 127.6 57.6 -62.2 -35.1 40.5 34.1 25.0 231 237 A Q H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 106.7 48.9 -61.1 -41.7 44.1 33.1 25.1 232 238 A S H > S+ 0 0 37 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.843 108.9 52.8 -69.1 -32.1 43.9 32.8 28.9 233 239 A K H X S+ 0 0 12 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.923 107.2 52.6 -66.9 -43.2 40.8 30.7 28.6 234 240 A L H X S+ 0 0 20 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.907 110.5 48.4 -54.4 -45.2 42.6 28.4 26.2 235 241 A D H X S+ 0 0 67 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.911 112.2 47.0 -63.9 -45.5 45.4 28.0 28.7 236 242 A V H X S+ 0 0 28 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.936 113.7 49.3 -61.4 -46.0 43.0 27.2 31.6 237 243 A R H X S+ 0 0 16 -4,-3.0 4,-0.7 1,-0.2 3,-0.4 0.919 110.8 49.3 -60.1 -45.6 41.2 24.8 29.4 238 244 A A H >< S+ 0 0 55 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.901 110.6 50.6 -58.2 -43.0 44.5 23.1 28.4 239 245 A K H 3< S+ 0 0 169 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.731 101.6 63.9 -70.9 -21.3 45.5 22.9 32.0 240 246 A A H 3< S+ 0 0 12 -4,-1.4 2,-0.3 -3,-0.4 -1,-0.2 0.716 85.6 88.9 -75.0 -22.3 42.2 21.3 32.9 241 247 A I << - 0 0 18 -3,-0.9 2,-0.5 -4,-0.7 26,-0.1 -0.587 65.5-149.9 -80.1 133.0 42.8 18.2 30.8 242 248 A H - 0 0 90 -2,-0.3 2,-0.4 73,-0.1 77,-0.4 -0.914 22.1-168.5-102.5 135.1 44.6 15.1 32.2 243 249 A A - 0 0 34 -2,-0.5 74,-0.2 76,-0.2 73,-0.1 -0.944 27.3-119.1-130.1 134.7 46.6 13.1 29.7 244 250 A W - 0 0 4 72,-2.6 92,-0.0 -2,-0.4 0, 0.0 -0.416 32.2-127.7 -57.4 145.2 48.4 9.8 29.4 245 251 A D - 0 0 121 1,-0.1 -1,-0.1 -2,-0.1 72,-0.0 0.505 32.8-122.6 -82.1 -2.9 52.1 10.5 28.7 246 252 A G 0 0 32 1,-0.1 -1,-0.1 86,-0.1 -2,-0.1 0.376 360.0 360.0 81.0 -5.7 52.0 8.2 25.7 247 253 A K 0 0 108 92,-0.0 -1,-0.1 89,-0.0 -3,-0.0 0.451 360.0 360.0-108.4 360.0 54.8 6.1 27.1 248 !* 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 0.0 249 6 B A > 0 0 102 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -67.0 52.1 17.2 6.4 250 7 B V H > + 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.884 360.0 56.6 -58.0 -41.2 48.6 18.5 5.7 251 8 B E H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.833 107.7 47.6 -65.2 -32.6 47.0 15.2 6.8 252 9 B Q H > S+ 0 0 140 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.877 108.7 52.7 -77.2 -38.4 48.7 15.4 10.2 253 10 B A H X S+ 0 0 63 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.886 112.9 46.7 -61.4 -37.2 47.8 19.1 10.8 254 11 B N H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.868 107.4 55.6 -72.7 -36.6 44.2 18.0 10.0 255 12 B Q H X S+ 0 0 49 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.902 109.0 48.2 -60.5 -41.4 44.4 15.0 12.4 256 13 B A H X S+ 0 0 31 -4,-2.1 4,-1.9 2,-0.2 3,-0.3 0.878 108.0 54.9 -64.8 -40.6 45.4 17.3 15.2 257 14 B K H X S+ 0 0 31 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.899 104.4 55.3 -57.6 -42.4 42.5 19.6 14.2 258 15 B L H < S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.846 107.9 48.3 -58.9 -34.6 40.2 16.6 14.6 259 16 B Q H >< S+ 0 0 17 -4,-1.1 3,-1.8 -3,-0.3 4,-0.2 0.866 101.3 62.4 -79.9 -33.1 41.5 16.0 18.2 260 17 B Q H >< S+ 0 0 62 -4,-1.9 3,-1.5 1,-0.3 4,-0.3 0.794 91.5 69.2 -60.3 -28.7 41.1 19.6 19.3 261 18 B Q T 3< S+ 0 0 9 -4,-0.9 -242,-2.2 1,-0.3 -241,-0.6 0.578 94.1 55.4 -68.8 -12.6 37.3 19.3 18.7 262 19 B V T <> S+ 0 0 9 -3,-1.8 4,-2.5 -243,-0.2 -1,-0.3 0.440 79.5 99.6 -94.8 0.8 36.8 16.9 21.6 263 20 B A H <> S+ 0 0 1 -3,-1.5 4,-2.7 1,-0.2 5,-0.2 0.853 82.0 43.3 -63.4 -40.4 38.4 19.3 24.2 264 21 B M H > S+ 0 0 1 -248,-2.9 4,-3.0 -4,-0.3 5,-0.2 0.947 115.8 47.4 -71.6 -47.3 35.3 20.8 25.8 265 22 B G H > S+ 0 0 0 -249,-0.6 4,-2.5 -4,-0.3 -2,-0.2 0.905 114.1 50.6 -54.4 -40.3 33.5 17.4 26.0 266 23 B L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.952 110.3 46.8 -68.5 -46.0 36.7 16.0 27.5 267 24 B I H X>S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.6 0.913 112.2 51.4 -59.2 -44.9 37.0 18.8 30.1 268 25 B W H X5S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 7,-0.4 0.930 113.2 45.7 -56.0 -46.4 33.3 18.4 31.0 269 26 B T H <5S+ 0 0 16 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.931 118.9 40.4 -64.4 -45.8 33.9 14.6 31.4 270 27 B Q H <5S+ 0 0 21 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.799 131.0 20.1 -74.3 -26.8 37.1 15.0 33.4 271 28 B Q H <5S+ 0 0 43 -4,-2.5 -79,-0.2 -5,-0.2 -3,-0.2 0.717 91.0 101.6-119.0 -31.3 36.1 18.0 35.6 272 29 B S X< - 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k 0 457C 0 34,-2.5 36,-2.5 -2,-0.4 -113,-0.1 -0.997 59.0-123.5-176.8 173.2 26.8 1.0 28.4 423 180 B D S S+ 0 0 8 -2,-0.3 2,-0.4 -115,-0.2 37,-0.2 0.413 96.0 61.3-108.0 -7.8 27.9 4.2 26.7 424 181 B N S > S- 0 0 19 1,-0.1 3,-2.2 35,-0.1 4,-0.2 -0.965 79.4-132.4-122.3 135.8 27.2 2.9 23.1 425 182 B L G > S+ 0 0 1 -2,-0.4 3,-2.1 1,-0.3 7,-0.2 0.823 107.6 67.5 -58.1 -27.6 23.7 1.9 21.9 426 183 B N G > S+ 0 0 8 1,-0.3 3,-1.5 2,-0.2 -23,-0.4 0.699 83.6 74.3 -63.3 -17.6 25.4 -1.3 20.4 427 184 B D G < S+ 0 0 7 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.553 93.4 54.4 -72.1 -6.5 26.0 -2.2 24.1 428 185 B F G < S- 0 0 14 -3,-2.1 -1,-0.3 1,-0.5 2,-0.2 0.263 127.7 -63.8-107.2 7.0 22.2 -3.0 24.1 429 186 B G X - 0 0 16 -3,-1.5 3,-0.7 1,-0.1 -1,-0.5 -0.624 59.7 -70.0 129.6 171.4 22.2 -5.4 21.2 430 187 B D G > S+ 0 0 50 1,-0.2 3,-2.2 -2,-0.2 -1,-0.1 0.537 97.5 99.5 -75.9 -9.3 22.9 -5.5 17.4 431 188 B A G 3 S+ 0 0 62 1,-0.3 -1,-0.2 -6,-0.1 -5,-0.1 0.848 92.8 35.3 -45.4 -41.2 19.8 -3.4 16.5 432 189 B T G X S+ 0 0 1 -3,-0.7 3,-1.8 -7,-0.2 -1,-0.3 0.423 87.3 134.4 -95.0 1.8 21.9 -0.3 16.2 433 190 B Y T < S- 0 0 55 -3,-2.2 3,-0.1 1,-0.3 -3,-0.1 -0.309 83.5 -10.5 -65.3 127.1 25.1 -1.9 14.8 434 191 B K T 3 S+ 0 0 165 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.676 102.9 138.0 61.0 19.1 26.6 -0.1 11.8 435 192 B K < - 0 0 83 -3,-1.8 -1,-0.2 1,-0.1 -3,-0.1 -0.558 57.6-102.7 -90.2 158.8 23.5 2.2 11.6 436 193 B S > - 0 0 43 -2,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.321 33.9-107.8 -70.1 160.1 23.5 5.9 10.9 437 194 B N H > S+ 0 0 2 32,-2.3 4,-2.8 2,-0.2 5,-0.2 0.896 120.7 54.8 -55.1 -41.7 22.9 8.4 13.8 438 195 B A H > S+ 0 0 49 31,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.916 110.6 45.6 -61.1 -44.1 19.4 9.1 12.4 439 196 B E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 110.9 52.8 -61.7 -41.6 18.5 5.4 12.5 440 197 B R H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 107.4 52.2 -65.2 -38.9 20.0 5.1 16.0 441 198 B R H X S+ 0 0 88 -4,-2.8 4,-2.7 -415,-0.2 -1,-0.2 0.862 106.8 54.4 -59.9 -36.4 17.8 8.0 17.1 442 199 B D H X S+ 0 0 113 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.930 106.3 50.7 -62.1 -48.5 14.9 6.0 15.6 443 200 B F H X S+ 0 0 35 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.928 110.9 49.6 -53.8 -47.7 15.8 3.0 17.7 444 201 B V H >< S+ 0 0 1 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.962 110.8 48.4 -57.4 -51.1 15.9 5.3 20.8 445 202 B A H >< S+ 0 0 61 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.908 112.4 48.2 -58.3 -44.5 12.5 6.8 20.1 446 203 B K H 3< S+ 0 0 86 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.712 122.2 35.7 -70.0 -22.2 10.8 3.4 19.5 447 204 B N T XX S+ 0 0 62 -4,-1.3 3,-2.3 -3,-0.7 4,-0.5 0.067 77.0 131.4-115.0 23.4 12.4 2.1 22.7 448 205 B S G X4 + 0 0 23 -3,-1.1 3,-0.7 1,-0.3 -409,-0.1 0.753 69.8 55.2 -51.8 -34.7 12.2 5.3 24.8 449 206 B K G 34 S+ 0 0 107 1,-0.2 -1,-0.3 -4,-0.2 5,-0.1 0.708 95.8 68.6 -73.0 -21.2 10.6 3.5 27.9 450 207 B A G X>>S+ 0 0 25 -3,-2.3 4,-2.7 -6,-0.2 5,-2.0 0.741 74.8 98.8 -69.9 -27.2 13.5 1.0 28.1 451 208 B F B <<5S+l 455 0C 0 -3,-0.7 5,-0.2 -4,-0.5 -412,-0.1 -0.472 92.4 14.4 -77.4 130.4 16.2 3.4 29.2 452 209 B G T 345S+ 0 0 14 3,-3.0 -1,-0.3 -2,-0.3 4,-0.2 0.490 129.4 59.6 85.0 5.4 17.0 3.5 32.9 453 210 B K T <45S- 0 0 54 -3,-1.7 -2,-0.2 2,-0.5 3,-0.1 0.628 129.1 -8.9-125.5 -62.2 15.0 0.3 33.1 454 211 B K T <5S+ 0 0 39 -4,-2.7 -34,-2.4 1,-0.3 2,-0.6 0.642 135.0 50.7-110.2 -32.9 16.5 -2.5 30.9 455 212 B F E > S- 0 0 16 -2,-0.3 3,-1.7 -3,-0.1 4,-0.8 -0.880 74.0 -53.2 145.5-173.8 31.9 6.0 19.8 465 222 B D H 3> S+ 0 0 61 1,-0.3 4,-1.6 -2,-0.3 -1,-0.1 0.491 119.1 74.3 -82.1 -1.9 29.7 4.6 17.0 466 223 B W H 34 S+ 0 0 2 2,-0.2 -1,-0.3 1,-0.1 -29,-0.1 0.616 94.8 56.4 -72.7 -16.1 27.9 7.9 16.9 467 224 B E H X4 S+ 0 0 32 -3,-1.7 3,-1.6 2,-0.2 4,-0.3 0.936 110.4 39.9 -77.4 -50.0 31.1 9.0 15.2 468 225 B G H >< S+ 0 0 22 -4,-0.8 3,-1.5 1,-0.3 6,-0.4 0.842 106.4 68.7 -62.4 -31.9 30.9 6.2 12.5 469 226 B G T 3< S+ 0 0 9 -4,-1.6 -32,-2.3 1,-0.3 -31,-0.3 0.502 81.3 77.3 -65.3 -5.5 27.1 7.0 12.4 470 227 B L T < S+ 0 0 30 -3,-1.6 2,-0.3 1,-0.3 -1,-0.3 0.790 111.4 1.0 -77.2 -28.6 27.9 10.4 10.8 471 228 B D X - 0 0 72 -3,-1.5 3,-2.3 -4,-0.3 4,-0.3 -0.930 62.6-126.9-163.9 136.6 28.6 8.9 7.4 472 229 B K T 3 S+ 0 0 101 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.738 117.5 31.6 -57.4 -25.3 28.5 5.4 5.8 473 230 B N T > S+ 0 0 114 1,-0.1 3,-0.9 2,-0.1 4,-0.5 -0.066 81.2 126.8-122.4 30.7 32.1 6.0 4.6 474 231 B Y G X S+ 0 0 2 -3,-2.3 3,-1.0 -6,-0.4 -2,-0.1 0.903 76.6 43.8 -53.4 -49.0 33.3 8.3 7.4 475 232 B F G 3 S+ 0 0 129 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.520 101.8 67.1 -83.4 -3.9 36.4 6.2 8.2 476 233 B K G < S+ 0 0 87 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.561 91.5 81.7 -88.2 -8.9 37.4 5.6 4.5 477 234 B G S < S- 0 0 20 -3,-1.0 2,-0.1 -4,-0.5 -3,-0.0 -0.505 83.1-111.9 -92.3 162.7 38.1 9.3 4.2 478 235 B D > - 0 0 93 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.207 47.5 -84.1 -80.5-178.7 41.3 11.3 5.2 479 236 B S H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.834 130.5 52.2 -62.9 -34.2 41.3 13.8 8.1 480 237 B Q H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 107.3 53.3 -64.1 -42.0 40.0 16.6 5.8 481 238 B S H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 110.2 47.8 -56.7 -45.3 37.1 14.4 4.8 482 239 B K H X S+ 0 0 27 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.906 108.7 53.1 -63.9 -43.9 36.3 13.8 8.4 483 240 B L H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.908 110.5 48.3 -56.8 -43.3 36.5 17.5 9.3 484 241 B D H X S+ 0 0 94 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.924 111.0 49.8 -63.8 -46.0 34.0 18.3 6.4 485 242 B V H X S+ 0 0 26 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.899 112.0 48.8 -59.8 -41.8 31.6 15.5 7.6 486 243 B R H >X S+ 0 0 5 -4,-2.6 3,-0.7 2,-0.2 4,-0.6 0.932 110.5 49.1 -66.3 -46.5 31.7 16.9 11.1 487 244 B A H >< S+ 0 0 57 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.927 109.6 53.4 -56.7 -44.5 31.1 20.5 10.1 488 245 B K H 3< S+ 0 0 85 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.768 100.6 63.6 -62.7 -23.4 28.2 19.3 8.0 489 246 B A H << S+ 0 0 12 -4,-1.0 -1,-0.3 -3,-0.7 2,-0.2 0.700 84.5 91.0 -77.0 -18.8 26.7 17.5 11.0 490 247 B I << - 0 0 19 -3,-1.4 2,-0.5 -4,-0.6 -468,-0.1 -0.539 62.8-150.6 -82.1 139.2 26.1 20.7 13.0 491 248 B H - 0 0 88 -2,-0.2 -421,-0.4 -425,-0.1 2,-0.3 -0.956 20.8-168.9-110.8 130.8 22.9 22.6 12.9 492 249 B A - 0 0 33 -2,-0.5 -424,-0.2 -422,-0.2 -425,-0.1 -0.859 26.4-116.8-121.9 142.8 23.1 26.3 13.5 493 250 B W - 0 0 5 -426,-2.8 -406,-0.0 -2,-0.3 -1,-0.0 -0.425 33.1-124.4 -63.4 150.6 20.9 29.3 14.2 494 251 B D - 0 0 125 -2,-0.1 3,-0.3 1,-0.1 -1,-0.1 0.652 34.7-125.3 -80.3 -13.3 21.2 31.8 11.3 495 252 B G - 0 0 14 1,-0.2 -1,-0.1 2,-0.1 -408,-0.1 0.235 26.9-111.7 96.1 -14.5 22.1 34.6 13.7 496 253 B K 0 0 63 1,-0.1 -1,-0.2 -409,-0.0 -3,-0.0 0.955 360.0 360.0 49.0 63.9 19.4 37.1 12.7 497 254 B H 0 0 145 -3,-0.3 -1,-0.1 2,-0.0 -2,-0.1 0.866 360.0 360.0 -76.5 360.0 21.8 39.6 11.2 498 ! 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 0.0 499 256 B H 0 0 134 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -48.5 21.0 47.8 7.9 500 257 B H + 0 0 181 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.316 360.0 153.3 -74.3 148.3 23.3 49.8 10.1 501 258 B H 0 0 171 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.943 360.0 360.0-168.6 149.2 25.2 52.8 9.0 502 259 B H 0 0 238 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.193 360.0 360.0 -45.9 360.0 26.7 56.1 10.3 503 !* 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 0.0 504 3 C N > 0 0 142 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 160.9 51.8 27.7 -5.4 505 4 C Q H > + 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.833 360.0 56.9 -56.9 -38.4 53.7 31.0 -5.5 506 5 C Q H > S+ 0 0 152 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.971 109.7 42.4 -58.6 -58.9 52.0 32.3 -8.6 507 6 C A H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.864 113.9 54.9 -56.0 -37.7 48.5 32.0 -7.3 508 7 C V H X S+ 0 0 78 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.902 110.5 43.8 -65.7 -41.7 49.7 33.5 -4.0 509 8 C E H X S+ 0 0 67 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.893 114.4 49.4 -68.4 -40.6 51.2 36.6 -5.7 510 9 C Q H X S+ 0 0 66 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.902 112.2 49.6 -64.5 -39.3 48.1 37.0 -7.9 511 10 C A H X S+ 0 0 57 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.903 112.3 47.3 -64.8 -41.8 45.9 36.7 -4.8 512 11 C N H X S+ 0 0 26 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.898 112.0 48.3 -70.2 -41.7 48.0 39.3 -2.9 513 12 C Q H X S+ 0 0 53 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.884 110.1 53.5 -62.4 -40.9 48.1 41.9 -5.8 514 13 C A H X S+ 0 0 35 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.914 109.6 48.6 -57.2 -44.0 44.3 41.4 -6.1 515 14 C K H X S+ 0 0 38 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.880 107.1 55.3 -63.7 -39.3 44.0 42.2 -2.4 516 15 C L H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 112.1 44.6 -59.6 -34.8 46.3 45.3 -2.8 517 16 C Q H >< S+ 0 0 15 -4,-1.7 3,-1.7 1,-0.2 4,-0.4 0.867 106.1 57.9 -81.4 -38.4 43.9 46.5 -5.5 518 17 C Q H >< S+ 0 0 109 -4,-2.4 3,-1.4 1,-0.3 4,-0.3 0.814 95.0 68.0 -60.9 -28.6 40.7 45.7 -3.6 519 18 C Q T 3< S+ 0 0 112 -4,-1.4 -1,-0.3 1,-0.3 4,-0.3 0.582 96.2 54.5 -68.3 -11.3 41.9 48.0 -0.7 520 19 C V T <> S+ 0 0 20 -3,-1.7 4,-2.8 1,-0.1 -1,-0.3 0.565 81.2 97.5 -93.5 -12.9 41.5 51.0 -3.0 521 20 C A H <> S+ 0 0 25 -3,-1.4 4,-2.5 -4,-0.4 5,-0.2 0.784 82.4 43.7 -52.7 -43.9 37.8 50.3 -3.8 522 21 C M H > S+ 0 0 154 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.936 116.1 47.0 -73.1 -45.9 36.1 52.6 -1.3 523 22 C G H > S+ 0 0 23 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.886 114.4 49.3 -57.4 -40.3 38.4 55.5 -2.0 524 23 C L H X S+ 0 0 8 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.939 111.5 47.5 -66.4 -46.2 38.0 54.9 -5.7 525 24 C I H X>S+ 0 0 92 -4,-2.5 4,-2.1 1,-0.2 5,-0.6 0.885 112.1 50.9 -61.5 -39.1 34.2 54.8 -5.4 526 25 C W H X5S+ 0 0 79 -4,-2.7 4,-1.4 3,-0.2 7,-0.4 0.910 112.7 46.5 -63.9 -40.7 34.3 57.9 -3.3 527 26 C T H <5S+ 0 0 12 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.934 119.6 38.4 -68.5 -45.6 36.4 59.6 -6.0 528 27 C Q H <5S+ 0 0 92 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.759 131.2 21.6 -75.9 -25.4 34.2 58.5 -8.9 529 28 C Q H <5S+ 0 0 155 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.733 90.8 98.7-118.8 -35.9 30.8 58.8 -7.3 530 29 C S X< - 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