==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-AUG-11 3TCM . COMPND 2 MOLECULE: ALANINE AMINOTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR T.J.RYDEL,E.J.STURMAN,C.HALLS,S.CHEN,J.ZENG,A.EVDOKIMOV,S.M. . 960 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 669 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 0 0.0 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 . 60 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 352 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 1 1 2 0 5 7 0 4 2 4 0 0 0 2 0 0 0 0 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 2 0 4 2 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 . 6 6 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 0 0 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 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 A 0 0 128 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 143.8 -20.4 -51.2 18.5 2 4 A T - 0 0 88 1,-0.1 2,-0.3 729,-0.0 5,-0.1 -0.394 360.0-100.7 -66.6 143.4 -20.6 -48.4 21.2 3 5 A V + 0 0 14 727,-0.1 793,-0.3 696,-0.1 2,-0.3 -0.502 62.1 158.6 -58.5 120.5 -22.2 -45.2 20.1 4 6 A A > - 0 0 24 -2,-0.3 3,-2.1 -3,-0.1 4,-0.3 -0.980 58.7 -97.5-146.5 159.2 -19.2 -42.9 19.5 5 7 A V G > S+ 0 0 47 -2,-0.3 3,-1.1 1,-0.3 8,-0.1 0.798 120.3 61.8 -40.7 -40.4 -18.2 -39.7 17.7 6 8 A D G 3 S+ 0 0 146 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.1 0.801 109.4 39.5 -63.7 -28.1 -16.8 -42.0 14.9 7 9 A N G < S+ 0 0 22 -3,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.149 90.8 110.7-112.6 21.3 -20.2 -43.5 14.2 8 10 A L S < S- 0 0 3 -3,-1.1 629,-0.2 -4,-0.3 628,-0.1 -0.476 85.4 -70.4 -85.0 165.1 -22.6 -40.5 14.5 9 11 A N >> - 0 0 7 627,-1.9 4,-1.4 626,-0.2 3,-0.7 -0.327 40.0-137.7 -52.8 123.9 -24.4 -38.9 11.7 10 12 A P H 3> S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.859 102.0 61.2 -53.1 -37.6 -21.9 -37.0 9.5 11 13 A K H 3> S+ 0 0 58 1,-0.2 4,-1.2 2,-0.2 172,-0.1 0.834 102.8 50.4 -64.5 -33.1 -24.3 -34.1 9.2 12 14 A V H <4 S+ 0 0 0 -3,-0.7 -1,-0.2 623,-0.3 169,-0.1 0.909 111.3 49.8 -66.1 -40.9 -24.1 -33.6 12.9 13 15 A L H < S+ 0 0 56 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.799 111.6 45.3 -67.6 -34.1 -20.2 -33.7 12.8 14 16 A K H < S+ 0 0 149 -4,-2.0 -1,-0.2 166,-0.1 -2,-0.2 0.759 94.2 100.7 -83.3 -26.3 -19.8 -31.1 10.0 15 17 A C < + 0 0 0 -4,-1.2 2,-0.3 -5,-0.3 162,-0.1 -0.337 51.2 176.9 -49.6 132.4 -22.4 -28.9 11.7 16 18 A E - 0 0 125 157,-0.2 2,-0.4 160,-0.1 164,-0.1 -0.989 17.7-174.1-147.4 136.0 -20.8 -26.1 13.7 17 19 A Y > - 0 0 7 -2,-0.3 3,-1.4 1,-0.1 157,-0.1 -0.789 2.1-176.4-133.2 90.2 -22.5 -23.2 15.6 18 20 A A G > S+ 0 0 25 421,-0.4 3,-2.0 -2,-0.4 6,-0.3 0.806 72.5 73.9 -66.9 -28.8 -19.9 -20.7 17.0 19 21 A V G 3 S+ 0 0 0 1,-0.3 -1,-0.3 416,-0.1 31,-0.0 0.734 117.5 19.7 -53.1 -28.4 -22.4 -18.4 18.9 20 22 A R G < S+ 0 0 18 -3,-1.4 -1,-0.3 785,-0.0 -2,-0.1 -0.373 115.8 93.5-137.2 45.1 -22.7 -21.1 21.6 21 23 A G S X> S- 0 0 12 -3,-2.0 4,-2.1 -5,-0.1 3,-0.8 0.094 86.9 -20.7-116.1-134.9 -19.5 -23.0 20.8 22 24 A E H 3> S+ 0 0 108 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.855 129.5 48.6 -50.5 -50.0 -15.8 -23.4 21.8 23 25 A I H 3> S+ 0 0 9 -5,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.848 112.3 49.0 -62.5 -31.6 -15.5 -19.9 23.3 24 26 A V H <> S+ 0 0 2 -3,-0.8 4,-1.6 -6,-0.3 -2,-0.2 0.843 109.0 50.8 -83.2 -32.0 -18.6 -20.2 25.4 25 27 A I H X S+ 0 0 78 -4,-2.1 4,-1.6 2,-0.2 3,-0.2 0.931 110.8 49.8 -68.9 -45.2 -17.7 -23.6 26.8 26 28 A H H X S+ 0 0 34 -4,-2.2 4,-2.1 -5,-0.2 3,-0.4 0.929 108.2 55.4 -53.5 -45.9 -14.4 -22.2 27.8 27 29 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.833 104.6 51.8 -58.0 -35.8 -16.3 -19.2 29.4 28 30 A Q H X S+ 0 0 55 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.832 105.4 54.4 -73.9 -32.4 -18.3 -21.6 31.6 29 31 A R H X S+ 0 0 114 -4,-1.6 4,-1.9 -3,-0.4 -2,-0.2 0.943 113.0 44.8 -57.5 -51.6 -15.1 -23.3 32.8 30 32 A L H X S+ 0 0 10 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.848 105.6 61.0 -62.4 -36.9 -13.9 -19.8 33.8 31 33 A Q H >< S+ 0 0 64 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.958 107.5 44.9 -51.1 -53.2 -17.4 -19.0 35.3 32 34 A E H >X S+ 0 0 120 -4,-2.1 4,-2.7 1,-0.2 3,-2.0 0.900 101.4 68.4 -57.5 -41.8 -16.9 -21.9 37.8 33 35 A Q H 3X S+ 0 0 62 -4,-1.9 4,-2.2 1,-0.3 7,-0.2 0.814 104.2 43.2 -55.5 -28.6 -13.3 -20.8 38.5 34 36 A L H << S+ 0 0 41 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.350 110.9 51.2-107.1 12.4 -14.7 -17.7 40.2 35 37 A K H <4 S+ 0 0 145 -3,-2.0 -2,-0.2 -4,-0.3 -3,-0.1 0.779 123.8 33.7 -82.3 -54.2 -17.4 -19.3 42.1 36 38 A T H < S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.928 132.4 24.5 -62.2 -55.8 -14.8 -21.7 43.4 37 39 A Q S >< S- 0 0 113 -4,-2.2 3,-2.1 -5,-0.4 4,-0.3 -0.536 73.9-162.3-120.7 67.5 -11.7 -19.6 43.6 38 40 A P T 3 S+ 0 0 100 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.133 76.9 19.5 -52.0 136.7 -12.4 -15.9 44.0 39 41 A G T 3 S+ 0 0 70 4,-0.2 -5,-0.1 2,-0.1 5,-0.0 0.417 88.2 103.1 84.7 0.5 -9.5 -13.8 43.1 40 42 A S S < S+ 0 0 55 -3,-2.1 -6,-0.1 -7,-0.2 -1,-0.0 0.616 75.1 72.8 -85.9 -8.6 -7.5 -16.2 41.0 41 43 A L S S- 0 0 28 -4,-0.3 -2,-0.1 2,-0.2 388,-0.1 -0.808 82.9-130.4-107.9 144.4 -8.7 -14.4 37.9 42 44 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.385 92.8 42.0 -71.7 3.0 -7.7 -11.0 36.8 43 45 A F S S- 0 0 4 1,-0.1 -4,-0.2 388,-0.0 -2,-0.2 -0.911 70.6-140.3-143.5 168.0 -11.3 -9.9 36.4 44 46 A D S S+ 0 0 111 -2,-0.3 2,-0.2 386,-0.1 -1,-0.1 0.891 76.1 36.6-101.4 -59.4 -14.5 -10.3 38.4 45 47 A E S S- 0 0 82 385,-0.1 2,-0.6 2,-0.0 -1,-0.1 -0.583 70.9-126.9 -90.7 157.1 -17.5 -11.0 36.2 46 48 A I - 0 0 20 -2,-0.2 2,-0.8 -3,-0.1 386,-0.2 -0.941 26.8-153.4 -91.2 121.4 -17.8 -13.0 33.0 47 49 A L E -a 432 0A 12 384,-2.2 386,-2.6 -2,-0.6 2,-1.1 -0.854 3.7-148.7 -97.8 103.5 -19.4 -10.6 30.4 48 50 A Y E +a 433 0A 50 -2,-0.8 3,-0.3 384,-0.2 386,-0.1 -0.559 34.1 156.6 -70.8 100.1 -21.3 -12.5 27.7 49 51 A a + 0 0 2 384,-1.4 403,-1.5 -2,-1.1 386,-0.3 0.047 55.9 85.4-112.9 17.0 -20.9 -10.1 24.7 50 52 A N S S+ 0 0 2 384,-0.2 2,-0.4 401,-0.2 -1,-0.2 0.545 80.2 49.1-100.9 -12.5 -21.5 -13.2 22.5 51 53 A I S S- 0 0 8 -3,-0.3 2,-1.7 2,-0.1 -1,-0.1 -0.995 77.2-120.1-141.5 133.9 -25.3 -13.5 22.1 52 54 A G + 0 0 0 -2,-0.4 -3,-0.1 1,-0.1 344,-0.0 -0.611 62.0 138.0 -72.0 86.0 -28.0 -11.0 21.2 53 55 A N >> - 0 0 5 -2,-1.7 3,-2.4 1,-0.2 4,-0.8 -0.642 28.2-178.9-136.6 69.9 -29.9 -11.6 24.5 54 56 A P G >4>S+ 0 0 2 0, 0.0 3,-1.4 0, 0.0 5,-0.6 0.846 77.8 50.7 -52.9 -49.4 -30.9 -8.1 25.6 55 57 A Q G 345S+ 0 0 5 246,-0.9 534,-0.2 1,-0.3 247,-0.1 0.676 95.8 70.9 -62.1 -17.7 -32.6 -9.0 28.8 56 58 A S G <45S+ 0 0 54 -3,-2.4 -1,-0.3 532,-0.1 530,-0.1 0.892 108.5 39.7 -62.3 -38.8 -29.6 -10.9 30.0 57 59 A L T <<5S- 0 0 27 -3,-1.4 397,-0.0 -4,-0.8 532,-0.0 0.124 131.7 -55.9 -88.3-159.0 -28.0 -7.6 30.3 58 60 A G T 5S+ 0 0 32 396,-0.5 -3,-0.1 2,-0.0 396,-0.0 0.776 83.1 131.1 -60.2 -34.7 -30.0 -4.7 31.6 59 61 A Q < - 0 0 26 -5,-0.6 397,-0.0 395,-0.3 240,-0.0 0.130 48.9-137.8 -36.3 126.3 -33.1 -4.4 29.4 60 62 A Q - 0 0 129 301,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.650 22.9-109.6 -86.1 135.0 -36.4 -4.2 31.2 61 63 A P - 0 0 30 0, 0.0 240,-0.1 0, 0.0 239,-0.1 -0.454 36.9-106.8 -66.4 137.5 -39.3 -6.2 30.0 62 64 A V > - 0 0 6 238,-0.4 4,-1.4 -2,-0.1 5,-0.1 -0.435 30.1-143.5 -58.1 140.8 -42.1 -4.0 28.4 63 65 A T H > S+ 0 0 43 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.927 91.0 57.7 -87.5 -45.3 -44.9 -4.0 30.9 64 66 A F H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.913 109.8 50.2 -49.4 -44.7 -48.0 -4.1 28.8 65 67 A F H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.952 112.6 43.9 -57.4 -54.8 -46.7 -7.3 27.3 66 68 A R H X S+ 0 0 2 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.832 110.1 58.0 -65.6 -28.4 -46.0 -8.9 30.6 67 69 A E H X S+ 0 0 19 -4,-3.1 4,-1.9 2,-0.2 3,-0.2 0.973 108.8 43.2 -64.5 -51.7 -49.3 -7.8 32.0 68 70 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.862 113.8 52.3 -60.4 -40.0 -51.4 -9.5 29.4 69 71 A L H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.817 107.5 50.3 -69.9 -31.7 -49.3 -12.6 29.6 70 72 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 -3,-0.2 -1,-0.2 0.880 114.4 47.9 -69.7 -35.0 -49.7 -12.8 33.3 71 73 A L H >< S+ 0 0 0 -4,-1.9 3,-0.5 2,-0.2 -2,-0.2 0.951 110.5 46.6 -69.3 -50.7 -53.5 -12.5 32.7 72 74 A C H 3< S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.2 35,-0.2 0.853 111.3 56.8 -60.5 -36.5 -53.9 -15.0 30.0 73 75 A D H 3< S+ 0 0 5 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.849 121.2 24.0 -63.6 -37.4 -51.8 -17.4 32.1 74 76 A H S X< S+ 0 0 6 -4,-1.3 3,-1.0 -3,-0.5 -1,-0.3 -0.791 72.1 173.8-129.5 83.2 -54.1 -17.1 35.1 75 77 A P G > + 0 0 33 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.656 68.5 74.6 -68.8 -16.9 -57.5 -16.2 33.7 76 78 A D G > S+ 0 0 74 1,-0.3 3,-2.3 2,-0.2 -5,-0.1 0.783 79.5 75.5 -66.7 -28.6 -59.4 -16.5 37.0 77 79 A L G X S+ 0 0 2 -3,-1.0 3,-0.8 1,-0.3 6,-0.3 0.772 82.5 69.4 -47.3 -29.4 -57.7 -13.3 38.0 78 80 A L G < S+ 0 0 30 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.631 87.3 64.1 -72.2 -15.9 -60.3 -11.6 35.7 79 81 A Q G < S+ 0 0 149 -3,-2.3 2,-0.4 -4,-0.1 -1,-0.3 -0.147 90.7 88.1 -94.2 32.6 -63.1 -12.5 38.1 80 82 A R X - 0 0 94 -3,-0.8 3,-0.8 1,-0.1 4,-0.3 -0.957 65.7-149.8-146.3 126.9 -61.6 -10.2 40.8 81 83 A E T > S+ 0 0 138 -2,-0.4 3,-0.6 1,-0.3 4,-0.2 0.625 90.8 66.9 -70.4 -18.6 -62.1 -6.5 41.4 82 84 A E T >> S+ 0 0 65 1,-0.2 3,-3.4 2,-0.2 4,-0.8 0.903 81.0 74.0 -69.1 -42.0 -58.7 -5.9 42.8 83 85 A I H <> S+ 0 0 7 -3,-0.8 4,-3.6 1,-0.3 -1,-0.2 0.766 82.1 74.1 -47.3 -30.9 -56.8 -6.5 39.6 84 86 A K H <4 S+ 0 0 167 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.783 95.8 49.6 -52.3 -34.3 -58.1 -3.1 38.4 85 87 A T H <4 S+ 0 0 107 -3,-3.4 -1,-0.2 -4,-0.2 -2,-0.2 0.953 120.4 32.6 -70.7 -51.4 -55.6 -1.4 40.8 86 88 A L H < S+ 0 0 22 -4,-0.8 2,-0.4 2,-0.1 -2,-0.2 0.860 112.0 61.1 -79.7 -35.3 -52.5 -3.4 39.7 87 89 A F S < S- 0 0 10 -4,-3.6 -23,-0.0 -5,-0.2 -1,-0.0 -0.770 86.1-110.4 -97.6 139.0 -53.2 -4.1 36.0 88 90 A S > - 0 0 28 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.168 29.3-120.2 -50.8 154.4 -53.6 -1.5 33.3 89 91 A A H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.866 110.4 45.5 -73.3 -42.1 -57.1 -1.2 31.9 90 92 A D H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.606 107.1 59.4 -81.3 -13.2 -56.3 -2.0 28.3 91 93 A S H > S+ 0 0 0 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.922 109.1 44.1 -75.4 -45.4 -54.1 -4.9 29.3 92 94 A I H X S+ 0 0 18 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.835 114.6 50.8 -59.2 -36.5 -57.2 -6.5 31.0 93 95 A S H X S+ 0 0 72 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.848 111.9 46.5 -73.1 -33.8 -59.2 -5.6 28.0 94 96 A R H X S+ 0 0 36 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.870 108.4 54.5 -77.5 -36.1 -56.6 -7.2 25.7 95 97 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.955 110.6 47.6 -58.8 -47.7 -56.3 -10.4 27.8 96 98 A K H X S+ 0 0 104 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.825 109.3 51.5 -63.8 -39.1 -60.1 -10.8 27.5 97 99 A Q H < S+ 0 0 115 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.880 113.2 48.1 -65.2 -36.8 -60.2 -10.2 23.8 98 100 A I H >< S+ 0 0 4 -4,-2.1 3,-2.7 1,-0.2 4,-0.5 0.958 107.0 51.6 -71.2 -53.6 -57.5 -12.9 23.4 99 101 A L H >< S+ 0 0 2 -4,-2.8 3,-0.7 1,-0.3 6,-0.4 0.788 103.9 63.0 -52.0 -25.5 -59.0 -15.6 25.5 100 102 A A T 3< S+ 0 0 64 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.545 101.1 50.4 -82.3 -4.3 -62.1 -15.1 23.5 101 103 A M T < S+ 0 0 69 -3,-2.7 17,-0.5 -4,-0.1 -1,-0.2 0.427 88.5 85.0-112.0 2.5 -60.4 -16.2 20.3 102 104 A I S X S- 0 0 12 -3,-0.7 3,-1.0 -4,-0.5 5,-0.1 -0.778 94.9-112.0 -94.9 146.5 -58.8 -19.4 21.6 103 105 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.769 100.3 8.0 -56.9 -40.8 -61.6 -22.0 21.2 104 106 A G T 3 S- 0 0 54 2,-0.1 3,-0.1 431,-0.1 -4,-0.1 -0.234 113.9 -90.0-132.5 40.1 -62.7 -23.0 24.7 105 107 A R S < S+ 0 0 146 -3,-1.0 2,-1.0 -6,-0.4 3,-0.1 0.784 81.3 153.7 59.5 25.5 -60.7 -20.4 26.4 106 108 A A + 0 0 12 1,-0.2 3,-0.4 -7,-0.1 -1,-0.2 -0.744 20.1 166.9-101.2 97.3 -57.9 -23.0 26.5 107 109 A T S S+ 0 0 6 -2,-1.0 228,-0.2 1,-0.2 -1,-0.2 0.590 79.4 54.6 -81.2 -12.4 -54.6 -21.4 26.7 108 110 A G S S+ 0 0 0 676,-0.1 676,-4.2 -3,-0.1 677,-0.5 0.580 89.0 92.0-102.8 -13.6 -53.0 -24.7 27.6 109 111 A A S S- 0 0 6 -3,-0.4 2,-0.2 674,-0.3 226,-0.1 -0.309 88.1 -92.7 -74.6 161.6 -54.3 -26.8 24.6 110 112 A Y - 0 0 9 -2,-0.1 2,-0.1 673,-0.1 -1,-0.1 -0.514 43.9-142.3 -65.8 142.6 -52.5 -27.3 21.3 111 113 A S - 0 0 10 222,-0.3 5,-0.1 1,-0.2 2,-0.1 -0.390 40.3 -65.1 -92.0 178.5 -53.5 -24.8 18.7 112 114 A H > - 0 0 54 3,-0.1 3,-2.7 -2,-0.1 -1,-0.2 -0.406 61.7-109.0 -54.0 145.0 -54.0 -25.3 15.0 113 115 A S T 3 S+ 0 0 3 1,-0.3 220,-0.2 219,-0.1 -1,-0.1 0.670 119.4 53.6 -73.6 -7.0 -50.5 -26.2 13.9 114 116 A Q T 3 S- 0 0 20 1,-0.3 28,-3.1 27,-0.1 -1,-0.3 0.520 127.4 -83.8 -88.9 -11.1 -50.1 -22.9 12.1 115 117 A G < - 0 0 1 -3,-2.7 -1,-0.3 26,-0.2 -3,-0.1 -0.306 64.0 -48.5 117.8 153.3 -51.0 -20.9 15.2 116 118 A I > - 0 0 7 1,-0.1 4,-1.4 -2,-0.1 -14,-0.1 -0.266 58.7-125.8 -49.3 142.6 -54.4 -19.9 16.8 117 119 A H H > S+ 0 0 87 -16,-0.2 4,-2.4 2,-0.2 3,-0.4 0.959 104.4 52.0 -64.5 -50.3 -56.4 -18.4 14.0 118 120 A G H >> S+ 0 0 8 -17,-0.5 4,-3.0 1,-0.2 3,-0.5 0.954 107.9 51.9 -46.6 -61.1 -57.2 -15.0 15.7 119 121 A L H 3> S+ 0 0 1 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.846 108.9 52.1 -47.2 -38.6 -53.5 -14.4 16.5 120 122 A R H 3X S+ 0 0 2 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.3 0.893 109.0 49.6 -65.9 -41.6 -52.7 -15.1 12.8 121 123 A D H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 3,-0.8 0.878 109.6 50.5 -70.7 -34.6 -48.2 -6.8 8.2 128 130 A A H 3X S+ 0 0 30 -4,-1.2 4,-1.4 1,-0.3 -1,-0.2 0.669 105.3 54.2 -83.1 -19.8 -50.7 -4.8 6.1 129 131 A S H 3< S+ 0 0 94 -4,-0.8 -1,-0.3 2,-0.2 -2,-0.1 -0.081 112.6 45.8-100.7 35.1 -50.4 -1.6 8.1 130 132 A R H <4 S+ 0 0 55 -3,-0.8 -2,-0.2 3,-0.2 142,-0.2 0.371 122.7 32.4-144.4 -26.2 -46.6 -1.7 7.6 131 133 A D H < S- 0 0 11 -4,-0.9 -3,-0.2 2,-0.2 -2,-0.2 0.774 92.1-125.8-107.4 -39.2 -46.7 -2.5 3.9 132 134 A G S < S+ 0 0 68 -4,-1.4 -3,-0.1 1,-0.3 -4,-0.1 0.564 83.7 95.7 86.2 17.3 -49.8 -0.8 2.4 133 135 A F S S- 0 0 66 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.999 79.3-102.8-142.3 133.9 -50.7 -4.3 1.0 134 136 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.139 28.9-160.3 -64.1 155.6 -53.0 -7.0 2.3 135 137 A A - 0 0 17 -11,-0.2 2,-0.4 -14,-0.1 -7,-0.1 -0.924 11.8-128.7-129.8 153.2 -51.9 -10.1 4.1 136 138 A N > - 0 0 94 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.875 8.0-144.6-111.9 139.7 -53.6 -13.5 4.7 137 139 A A G > S+ 0 0 9 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.848 103.4 62.4 -63.5 -35.2 -54.0 -15.5 7.9 138 140 A D G 3 S+ 0 0 109 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.797 98.6 55.3 -62.1 -28.4 -53.7 -18.6 5.8 139 141 A D G < S+ 0 0 12 -3,-0.9 173,-2.0 -19,-0.1 2,-0.3 0.576 90.3 90.5 -80.6 -11.9 -50.1 -17.6 4.8 140 142 A I E < -B 311 0B 0 -3,-1.1 2,-0.4 -4,-0.4 171,-0.2 -0.659 51.3-170.7 -91.0 139.9 -48.8 -17.2 8.4 141 143 A F E -B 310 0B 7 169,-1.6 169,-1.4 -2,-0.3 2,-0.3 -0.972 16.5-143.5-129.3 114.8 -47.1 -19.9 10.4 142 144 A L E -B 309 0B 6 -28,-3.1 191,-0.3 -2,-0.4 167,-0.3 -0.610 27.0-174.8 -79.2 137.0 -46.4 -19.2 14.1 143 145 A T E -B 308 0B 16 165,-3.0 2,-2.9 -2,-0.3 165,-1.0 -0.894 42.2 -97.8-134.6 157.4 -43.1 -20.8 15.3 144 146 A D S S- 0 0 24 -2,-0.3 163,-0.3 163,-0.2 3,-0.2 -0.382 102.4 -42.4 -70.6 70.4 -41.0 -21.3 18.5 145 147 A G S S- 0 0 0 -2,-2.9 163,-0.3 161,-0.4 4,-0.3 -0.402 84.5 -71.3 91.0 176.0 -38.9 -18.4 17.4 146 148 A A S >> S+ 0 0 0 161,-0.2 4,-0.9 -2,-0.1 3,-0.9 0.742 118.8 80.5 -69.0 -30.9 -37.8 -17.7 13.9 147 149 A S H >> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-1.5 0.899 84.9 51.8 -48.8 -56.0 -35.3 -20.6 14.1 148 150 A P H 3> S+ 0 0 36 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.819 104.6 60.9 -56.4 -28.5 -37.6 -23.6 13.5 149 151 A G H <> S+ 0 0 0 -3,-0.9 4,-1.5 -4,-0.3 -2,-0.2 0.775 102.3 49.7 -66.5 -29.9 -38.8 -21.8 10.3 150 152 A V H S- 0 0 86 -3,-0.2 3,-2.1 1,-0.1 25,-0.4 -0.904 74.7-110.8-140.0 163.8 -29.3 -33.6 -1.9 161 163 A E T 3 S+ 0 0 126 -2,-0.3 24,-0.2 1,-0.3 -1,-0.1 0.788 121.8 60.5 -60.9 -32.9 -25.8 -32.8 -1.0 162 164 A K T 3 S+ 0 0 113 22,-0.1 55,-1.4 54,-0.1 -1,-0.3 0.525 83.0 101.3 -71.4 -14.0 -25.9 -31.2 -4.5 163 165 A D E < -c 217 0B 3 -3,-2.1 22,-3.2 20,-0.2 2,-0.3 -0.564 58.6-162.1 -74.8 143.6 -28.7 -28.7 -3.4 164 166 A G E -cd 218 185B 0 53,-2.2 55,-3.1 20,-0.2 56,-0.9 -0.936 21.7-164.2-139.2 153.9 -27.6 -25.2 -2.6 165 167 A I E -cd 220 186B 0 20,-1.4 22,-2.8 -2,-0.3 2,-0.6 -0.986 27.1-125.0-132.6 137.4 -28.6 -22.0 -0.9 166 168 A L E -cd 221 187B 0 54,-2.9 56,-3.1 -2,-0.4 20,-0.0 -0.792 34.6-177.8 -88.8 125.2 -26.9 -18.6 -1.4 167 169 A V E - 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0 0 29 -3,-2.6 -1,-0.4 -44,-0.1 2,-0.3 -0.669 58.0-155.5-100.0 158.1 -9.5 -10.8 6.8 447 449 A W + 0 0 59 -46,-0.4 -46,-2.4 -2,-0.2 2,-0.2 -0.995 19.3 155.4-139.0 138.6 -10.2 -11.3 10.6 448 450 A H B -K 400 0E 2 -2,-0.3 -11,-2.4 -48,-0.3 2,-0.3 -0.794 22.9-149.2-140.9-177.6 -13.1 -10.1 12.8 449 451 A F E -M 436 0G 2 -50,-0.9 2,-0.6 -13,-0.3 -2,-0.0 -0.952 18.5-127.5-157.3 158.8 -15.2 -10.6 15.9 450 452 A R E -M 435 0G 0 -15,-2.6 -15,-1.7 -2,-0.3 2,-0.4 -0.928 21.8-175.2-112.8 114.6 -18.7 -9.9 16.9 451 453 A a E -L 397 0F 5 -54,-1.2 -54,-2.7 -2,-0.6 -401,-0.2 -0.897 25.9-121.3-101.0 141.3 -19.6 -8.0 20.1 452 454 A T E -L 396 0F 0 -403,-1.5 -56,-0.2 -2,-0.4 -400,-0.1 -0.266 7.2-142.0 -61.3 152.5 -23.1 -7.4 21.3 453 455 A I S S+ 0 0 1 -58,-1.3 -57,-0.1 1,-0.1 -1,-0.1 0.351 80.4 92.5 -98.2 4.0 -24.3 -3.8 21.7 454 456 A L + 0 0 3 -59,-0.3 -396,-0.5 2,-0.0 -395,-0.3 0.371 42.2 117.8 -94.9 -2.5 -26.2 -4.8 24.9 455 457 A P S S- 0 0 2 0, 0.0 5,-0.1 0, 0.0 -398,-0.1 -0.420 84.5 -81.0 -61.4 153.6 -23.9 -4.3 27.9 456 458 A Q >> - 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0 0 9 -333,-1.8 4,-1.5 -334,-0.2 3,-0.9 -0.421 37.9-142.4 -64.6 124.0 -37.0 -33.5 -0.5 490 12 B P H 3> S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.795 100.3 65.0 -63.3 -22.9 -38.0 -37.2 -0.8 491 13 B K H 3> S+ 0 0 54 1,-0.2 4,-1.1 2,-0.2 172,-0.1 0.896 102.8 47.4 -60.0 -40.2 -37.6 -37.4 3.0 492 14 B V H <4 S+ 0 0 0 -3,-0.9 -1,-0.2 -337,-0.3 169,-0.1 0.897 110.8 51.0 -68.2 -37.6 -40.5 -35.0 3.4 493 15 B L H < S+ 0 0 55 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.792 109.0 49.4 -72.0 -31.2 -42.8 -36.8 0.9 494 16 B K H < S+ 0 0 143 -4,-1.6 -1,-0.2 166,-0.2 -2,-0.2 0.782 92.6 95.4 -77.9 -30.0 -42.4 -40.2 2.5 495 17 B C < - 0 0 1 -4,-1.1 2,-0.3 -5,-0.2 162,-0.1 -0.284 54.3-176.5 -66.9 146.2 -43.2 -38.9 5.9 496 18 B E - 0 0 133 157,-0.2 2,-0.3 423,-0.1 164,-0.1 -0.995 15.4-174.6-149.8 132.7 -46.8 -39.1 7.1 497 19 B Y > + 0 0 5 -2,-0.3 3,-1.2 1,-0.1 423,-0.1 -0.744 5.2 178.2-135.2 88.4 -48.3 -37.9 10.3 498 20 B A G > + 0 0 25 421,-0.4 3,-3.1 -2,-0.3 6,-0.3 0.771 67.9 80.5 -69.7 -29.1 -52.0 -39.0 10.6 499 21 B V G 3 S+ 0 0 0 1,-0.3 -1,-0.3 420,-0.2 31,-0.0 0.813 119.4 18.6 -47.8 -26.9 -52.8 -37.5 14.0 500 22 B R G < S+ 0 0 18 -3,-1.2 -1,-0.3 -175,-0.1 -2,-0.2 -0.131 111.7 121.2-133.8 42.2 -53.2 -34.4 11.9 501 23 B G S <> S- 0 0 14 -3,-3.1 4,-2.1 3,-0.1 3,-0.4 0.383 80.2 -46.2 -81.3-151.7 -53.5 -36.0 8.5 502 24 B E H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.846 132.2 53.3 -58.0 -40.9 -56.0 -36.1 5.8 503 25 B I H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 107.6 49.7 -64.9 -38.6 -58.9 -36.6 8.1 504 26 B V H > S+ 0 0 1 -3,-0.4 4,-2.5 -6,-0.3 -2,-0.2 0.920 110.5 53.5 -64.7 -42.6 -58.1 -33.6 10.2 505 27 B I H X S+ 0 0 69 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.939 107.9 47.1 -57.4 -52.5 -57.8 -31.7 7.0 506 28 B H H X S+ 0 0 29 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.916 113.1 52.2 -55.1 -42.0 -61.4 -32.7 5.8 507 29 B A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.918 106.7 50.2 -60.9 -49.0 -62.7 -31.9 9.3 508 30 B Q H X S+ 0 0 49 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.905 109.7 52.8 -52.9 -41.7 -61.2 -28.4 9.3 509 31 B R H X S+ 0 0 127 -4,-2.0 4,-1.1 1,-0.3 -1,-0.2 0.910 110.7 47.0 -62.8 -43.4 -62.7 -27.8 5.9 510 32 B L H X S+ 0 0 11 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.673 101.9 64.3 -72.9 -26.4 -66.1 -28.8 7.2 511 33 B Q H X S+ 0 0 65 -4,-1.6 4,-0.8 -3,-0.3 3,-0.2 0.925 102.2 49.9 -64.0 -47.1 -65.8 -26.7 10.3 512 34 B E H >X S+ 0 0 107 -4,-1.6 4,-2.5 1,-0.2 3,-0.7 0.869 104.3 60.4 -56.5 -40.5 -65.8 -23.6 8.1 513 35 B Q H 3X S+ 0 0 63 -4,-1.1 4,-3.2 1,-0.2 -1,-0.2 0.897 97.8 56.6 -54.2 -46.1 -68.9 -24.9 6.4 514 36 B L H 3< S+ 0 0 32 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.768 113.7 41.8 -58.6 -27.9 -70.9 -24.9 9.6 515 37 B K H << S+ 0 0 125 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.819 117.3 46.9 -81.3 -39.5 -70.1 -21.1 9.9 516 38 B T H < S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.927 131.6 12.2 -70.9 -47.7 -70.6 -20.4 6.2 517 39 B Q S >< S- 0 0 100 -4,-3.2 3,-1.3 -5,-0.2 4,-0.4 -0.818 72.7-159.6-133.6 91.6 -74.0 -22.2 5.8 518 40 B P T 3 S+ 0 0 101 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.682 82.1 39.0 -48.9 -33.8 -75.6 -23.2 9.1 519 41 B G T 3 S+ 0 0 76 1,-0.1 -5,-0.1 3,-0.0 5,-0.0 0.488 87.1 92.1-101.1 3.7 -78.0 -25.9 8.1 520 42 B S < + 0 0 51 -3,-1.3 -1,-0.1 -7,-0.2 -6,-0.1 0.839 69.2 78.3 -62.0 -39.4 -76.1 -27.9 5.5 521 43 B L S S- 0 0 35 -4,-0.4 388,-0.1 -3,-0.2 387,-0.0 -0.347 77.4-129.6 -74.3 155.6 -74.4 -30.5 7.6 522 44 B P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.269 98.3 35.7 -83.8 9.9 -76.1 -33.7 9.0 523 45 B F S S- 0 0 12 385,-0.0 -2,-0.2 388,-0.0 388,-0.1 -0.905 71.9-142.2-149.2 167.5 -74.6 -32.7 12.4 524 46 B D S S+ 0 0 130 -2,-0.3 2,-0.3 386,-0.1 387,-0.1 0.534 76.5 43.7-125.5 -0.1 -74.0 -29.3 14.1 525 47 B E - 0 0 81 385,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.924 69.7-132.8-130.7 158.0 -70.7 -29.5 16.1 526 48 B I - 0 0 25 -2,-0.3 2,-0.8 -3,-0.1 386,-0.2 -0.961 20.0-158.4-114.1 117.1 -67.3 -31.0 15.1 527 49 B L E -n 912 0H 11 384,-1.4 386,-3.1 -2,-0.6 2,-1.4 -0.815 6.2-153.1-102.4 103.6 -65.8 -33.2 17.7 528 50 B Y E +n 913 0H 55 -2,-0.8 3,-0.3 384,-0.2 386,-0.1 -0.603 30.2 157.9 -70.0 91.8 -62.1 -33.7 17.5 529 51 B C + 0 0 0 -2,-1.4 403,-1.8 384,-1.4 386,-0.3 0.038 56.7 88.0 -96.2 24.5 -61.6 -37.1 19.2 530 52 B N S S+ 0 0 2 384,-0.2 2,-0.4 401,-0.2 -1,-0.2 0.370 78.7 47.0-106.5 -0.1 -58.3 -37.4 17.3 531 53 B I S S- 0 0 9 -3,-0.3 2,-1.9 432,-0.1 -1,-0.1 -0.990 79.8-114.9-151.8 133.5 -55.6 -35.7 19.5 532 54 B G + 0 0 0 -2,-0.4 251,-0.1 1,-0.1 -3,-0.1 -0.499 61.1 141.5 -71.5 86.6 -54.7 -36.0 23.1 533 55 B N >> + 0 0 5 -2,-1.9 3,-2.1 1,-0.2 4,-0.8 -0.616 25.0 179.9-133.5 70.8 -55.6 -32.4 24.0 534 56 B P G >4>S+ 0 0 1 0, 0.0 3,-1.2 0, 0.0 5,-0.7 0.841 79.9 46.8 -48.9 -54.9 -57.2 -32.5 27.4 535 57 B Q G 345S+ 0 0 9 246,-0.4 -426,-0.2 1,-0.3 247,-0.1 0.628 98.7 71.0 -63.3 -16.9 -57.9 -28.7 27.8 536 58 B S G <45S+ 0 0 60 -3,-2.1 -1,-0.3 -428,-0.1 -430,-0.1 0.870 107.7 38.9 -63.2 -39.4 -59.4 -28.6 24.3 537 59 B L T <<5S- 0 0 22 -3,-1.2 -428,-0.1 -4,-0.8 -433,-0.0 0.077 132.6 -55.4 -89.6-160.2 -62.3 -30.5 25.7 538 60 B G T 5S+ 0 0 25 396,-0.3 -3,-0.2 -2,-0.1 -2,-0.0 0.739 85.2 128.5 -60.3 -32.2 -63.5 -29.7 29.2 539 61 B Q < - 0 0 23 -5,-0.7 397,-0.0 395,-0.3 395,-0.0 -0.027 47.8-138.1 -47.6 124.9 -60.4 -30.0 31.5 540 62 B Q - 0 0 136 1,-0.1 -1,-0.1 -434,-0.0 2,-0.1 -0.465 21.4-114.6 -76.3 137.9 -59.4 -27.2 33.8 541 63 B P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.361 39.3 -93.7 -72.5 157.2 -55.8 -26.2 34.3 542 64 B V > - 0 0 3 238,-0.5 4,-1.6 1,-0.1 5,-0.2 -0.625 31.9-143.7 -78.7 126.8 -54.1 -26.8 37.7 543 65 B T H > S+ 0 0 46 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.872 92.7 51.0 -68.8 -45.8 -54.4 -23.7 39.8 544 66 B F H >> S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.952 109.8 51.9 -51.5 -53.3 -51.1 -23.6 41.7 545 67 B F H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.849 111.9 47.3 -55.3 -36.9 -49.1 -24.1 38.4 546 68 B R H 3X S+ 0 0 4 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.817 109.9 52.1 -78.1 -29.4 -51.0 -21.2 36.9 547 69 B E H < S+ 0 0 9 -4,-2.6 3,-0.6 -5,-0.2 -1,-0.3 -0.806 72.8 176.2-134.6 90.2 -45.0 -10.6 35.6 555 77 B P G > + 0 0 26 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.656 68.7 73.1 -69.3 -26.4 -42.5 -10.3 38.5 556 78 B D G >> S+ 0 0 84 1,-0.3 3,-2.5 2,-0.2 4,-0.6 0.846 84.3 75.9 -62.3 -30.7 -43.1 -6.8 39.7 557 79 B L G <4 S+ 0 0 6 -3,-0.6 3,-0.3 1,-0.3 -1,-0.3 0.725 80.7 68.2 -40.6 -31.8 -46.4 -8.3 41.1 558 80 B L G <4 S+ 0 0 20 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.808 94.3 61.1 -63.8 -31.6 -44.2 -9.8 43.8 559 81 B Q T <4 S+ 0 0 149 -3,-2.5 -1,-0.2 -4,-0.4 -2,-0.2 0.848 90.1 70.4 -63.9 -43.2 -43.8 -6.3 45.0 560 82 B R S < S- 0 0 100 -4,-0.6 3,-0.2 -3,-0.3 4,-0.2 -0.428 72.0-136.8 -79.6 154.9 -47.3 -5.2 45.9 561 83 B E S >> S+ 0 0 136 1,-0.2 3,-1.0 2,-0.1 4,-0.5 0.574 86.0 82.8 -88.9 -7.5 -49.3 -6.6 48.8 562 84 B E H >> S+ 0 0 54 1,-0.2 3,-2.0 2,-0.2 4,-0.8 0.876 78.6 70.4 -60.1 -40.7 -52.7 -7.1 47.1 563 85 B I H 3> S+ 0 0 4 1,-0.3 4,-3.5 -6,-0.3 -1,-0.2 0.760 82.1 69.1 -48.3 -34.5 -51.6 -10.4 45.8 564 86 B K H <4 S+ 0 0 138 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.929 103.1 48.6 -58.2 -37.7 -51.6 -12.0 49.2 565 87 B T H << S+ 0 0 88 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.879 124.9 27.3 -65.6 -36.8 -55.3 -11.5 48.8 566 88 B L H < S+ 0 0 19 -4,-0.8 2,-0.3 -3,-0.1 -2,-0.2 0.853 119.4 50.7 -92.9 -45.7 -55.5 -13.1 45.2 567 89 B F S < S- 0 0 8 -4,-3.5 2,-0.2 -5,-0.1 -23,-0.0 -0.728 87.6-112.4 -96.0 149.2 -52.5 -15.5 45.1 568 90 B S >> - 0 0 30 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.507 21.8-120.8 -77.0 147.3 -51.8 -18.2 47.8 569 91 B A H 3> S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.857 111.5 65.4 -51.2 -36.5 -48.8 -17.8 50.0 570 92 B D H 3> S+ 0 0 25 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 104.6 40.8 -50.8 -50.8 -47.7 -21.2 48.6 571 93 B S H <> S+ 0 0 0 -3,-0.8 4,-3.6 2,-0.2 5,-0.3 0.925 110.6 56.3 -70.1 -49.9 -47.2 -19.9 45.1 572 94 B I H X S+ 0 0 19 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.890 106.8 50.5 -49.7 -52.5 -45.6 -16.6 46.1 573 95 B S H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.957 116.7 42.5 -44.9 -54.4 -42.9 -18.5 48.0 574 96 B R H X S+ 0 0 41 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.869 110.8 51.0 -71.0 -44.2 -42.3 -20.7 44.9 575 97 B A H X S+ 0 0 0 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.848 112.9 52.3 -59.4 -31.1 -42.5 -18.0 42.2 576 98 B K H < S+ 0 0 93 -4,-1.7 4,-0.4 -5,-0.3 -2,-0.2 0.909 108.7 44.8 -75.4 -44.9 -40.0 -16.2 44.3 577 99 B Q H < S+ 0 0 107 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.725 113.4 52.9 -77.3 -14.7 -37.4 -18.9 44.7 578 100 B I H >X S+ 0 0 4 -4,-1.6 3,-2.0 1,-0.2 4,-0.9 0.921 101.3 58.5 -78.2 -46.9 -37.7 -19.8 41.0 579 101 B L T 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.597 103.7 56.9 -55.8 -10.3 -37.0 -16.2 40.0 580 102 B A T 34 S+ 0 0 71 -4,-0.4 -1,-0.3 1,-0.1 -2,-0.2 0.563 96.8 56.9-106.6 -14.2 -33.8 -16.5 41.9 581 103 B M T <4 S+ 0 0 67 -3,-2.0 17,-0.5 -4,-0.3 16,-0.2 0.607 87.5 95.7 -85.9 -12.7 -32.3 -19.5 40.0 582 104 B I S >< S- 0 0 10 -4,-0.9 3,-2.3 1,-0.1 4,-0.1 -0.705 84.7-125.4 -79.1 120.4 -32.7 -17.5 36.8 583 105 B P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.772 100.6 15.2 -30.9 -70.5 -29.3 -15.8 36.1 584 106 B G T 3 S- 0 0 53 2,-0.2 3,-0.1 -3,-0.0 -4,-0.1 0.201 108.9-102.5 -94.4 21.3 -30.3 -12.0 35.8 585 107 B R S < S+ 0 0 128 -3,-2.3 2,-0.6 1,-0.2 -5,-0.1 0.692 83.5 150.8 57.9 22.2 -33.7 -12.6 37.4 586 108 B A + 0 0 14 1,-0.1 3,-0.5 -530,-0.1 -1,-0.2 -0.723 32.8 179.5 -99.2 116.9 -34.3 -12.3 33.7 587 109 B T S S+ 0 0 6 -2,-0.6 228,-0.2 1,-0.2 -1,-0.1 0.693 78.3 51.1 -98.4 -15.8 -37.3 -14.1 32.4 588 110 B G S S+ 0 0 0 -284,-0.1 -284,-2.1 -287,-0.1 -285,-0.5 0.284 88.5 108.5-100.8 12.3 -37.3 -13.3 28.7 589 111 B A S S- 0 0 9 -3,-0.5 -287,-0.1 -286,-0.2 -536,-0.1 -0.641 78.0-107.2 -84.7 144.1 -33.6 -14.2 28.3 590 112 B Y - 0 0 8 -2,-0.3 2,-0.2 1,-0.1 -286,-0.1 -0.388 40.4-141.0 -52.7 142.6 -32.4 -17.3 26.4 591 113 B S - 0 0 6 1,-0.2 -1,-0.1 222,-0.2 5,-0.1 -0.508 35.6 -68.7 -91.3 173.7 -31.2 -19.8 28.9 592 114 B H > - 0 0 54 -2,-0.2 3,-1.4 1,-0.1 -1,-0.2 -0.269 63.8-102.2 -41.6 150.8 -28.2 -22.1 28.7 593 115 B S T 3 S+ 0 0 4 1,-0.3 -1,-0.1 219,-0.1 3,-0.1 0.656 122.6 54.6 -71.8 -14.0 -29.1 -24.7 25.9 594 116 B Q T 3 S- 0 0 20 1,-0.3 28,-3.3 27,-0.1 -1,-0.3 0.662 122.9 -98.3 -83.6 -13.8 -30.0 -27.4 28.4 595 117 B G < - 0 0 1 -3,-1.4 -1,-0.3 26,-0.2 5,-0.1 -0.289 65.6 -31.6 109.5 156.4 -32.5 -25.0 30.2 596 118 B I > - 0 0 7 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.129 59.3-131.5 -39.1 129.4 -32.0 -22.9 33.4 597 119 B H H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.904 103.5 52.0 -57.2 -50.4 -29.6 -24.8 35.7 598 120 B G H > S+ 0 0 11 -17,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.881 108.3 52.7 -53.0 -42.7 -31.8 -24.5 38.9 599 121 B L H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.932 106.5 51.4 -61.9 -46.4 -34.7 -25.9 37.0 600 122 B R H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.808 108.9 54.5 -57.9 -31.7 -32.6 -28.9 35.9 601 123 B D H X S+ 0 0 82 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.938 107.3 47.7 -66.7 -51.6 -31.8 -29.3 39.6 602 124 B A H >X S+ 0 0 20 -4,-2.7 4,-2.5 2,-0.2 3,-0.7 0.977 113.2 48.4 -52.5 -53.6 -35.4 -29.3 40.6 603 125 B I H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.909 108.4 54.6 -56.8 -40.9 -36.1 -31.9 37.9 604 126 B A H 3X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.844 109.4 48.0 -60.1 -35.1 -33.1 -34.0 39.1 605 127 B S H S+ 0 0 10 1,-0.2 3,-1.3 -2,-0.2 -1,-0.1 0.829 105.3 61.8 -64.3 -36.6 -28.8 -31.8 36.4 618 140 B D T 3 S+ 0 0 98 1,-0.3 -1,-0.2 3,-0.0 174,-0.1 0.788 93.6 59.2 -61.7 -35.7 -26.2 -32.2 33.6 619 141 B D T 3 S+ 0 0 21 -3,-0.4 173,-2.2 -19,-0.1 2,-0.4 0.421 92.5 95.4 -78.0 2.3 -27.9 -35.2 32.1 620 142 B I E < -O 791 0I 0 -3,-1.3 2,-0.5 171,-0.2 171,-0.2 -0.809 50.3-171.7-104.8 137.4 -31.0 -33.2 31.5 621 143 B F E -O 790 0I 6 169,-2.1 169,-1.7 -2,-0.4 2,-0.4 -0.971 14.7-148.4-123.4 115.0 -32.2 -31.3 28.4 622 144 B L E +O 789 0I 6 -28,-3.3 167,-0.3 -2,-0.5 2,-0.3 -0.722 27.1 176.2 -83.5 131.6 -35.2 -29.1 28.6 623 145 B T E -O 788 0I 17 165,-2.3 2,-2.0 -2,-0.4 165,-0.8 -0.857 46.7 -91.9-132.0 162.0 -37.0 -29.0 25.3 624 146 B D S S- 0 0 22 -2,-0.3 163,-0.3 163,-0.2 3,-0.1 -0.562 100.2 -40.3 -73.7 80.6 -40.2 -27.5 23.9 625 147 B G S S- 0 0 0 -2,-2.0 4,-0.4 161,-0.4 163,-0.3 -0.249 86.7 -68.3 83.1-179.6 -42.2 -30.6 24.8 626 148 B A S >> S+ 0 0 0 161,-0.3 3,-1.0 1,-0.1 4,-0.7 0.874 117.6 76.1 -72.7 -34.9 -41.1 -34.2 24.4 627 149 B S H >> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-1.6 0.832 86.2 51.9 -53.5 -51.6 -41.1 -34.0 20.6 628 150 B P H 3> S+ 0 0 39 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.831 104.4 61.3 -64.2 -24.4 -38.0 -32.1 19.7 629 151 B G H <> S+ 0 0 0 -3,-1.0 4,-1.6 -4,-0.4 -2,-0.2 0.775 102.7 50.9 -64.1 -31.1 -36.0 -34.4 21.9 630 152 B V H S- 0 0 82 -3,-0.2 3,-1.1 -631,-0.0 25,-0.3 -0.941 77.0 -89.3-168.3 154.8 -28.1 -43.5 6.4 641 163 B E T 3 S+ 0 0 113 -2,-0.3 22,-0.0 1,-0.2 23,-0.0 0.745 122.6 52.4 -57.7 -26.1 -30.8 -45.3 4.6 642 164 B K T 3 S+ 0 0 137 22,-0.1 55,-2.0 54,-0.1 2,-0.3 0.565 84.9 99.6 -90.1 -15.7 -29.5 -48.6 6.3 643 165 B D E < -p 697 0I 3 -3,-1.1 22,-2.8 20,-0.2 2,-0.3 -0.593 59.2-172.8 -76.0 140.3 -29.5 -47.2 9.9 644 166 B G E -pq 698 665I 0 53,-2.5 55,-2.8 -2,-0.3 56,-0.7 -0.887 24.2-150.5-143.7 164.4 -32.6 -48.4 11.7 645 167 B I E -pq 700 666I 0 20,-2.0 22,-3.0 -2,-0.3 2,-0.5 -0.995 23.8-124.2-139.7 133.3 -34.7 -48.2 14.9 646 168 B L E +pq 701 667I 0 54,-3.1 56,-2.8 -2,-0.4 20,-0.1 -0.713 37.1 179.2 -82.9 127.0 -36.9 -50.7 16.6 647 169 B V E - 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0 0 27 -3,-2.5 -1,-0.4 -44,-0.1 2,-0.4 -0.543 57.3-154.1 -91.2 161.6 -56.3 -56.2 10.9 927 449 B W + 0 0 63 -46,-0.3 -46,-2.7 -2,-0.2 2,-0.2 -0.999 19.0 158.0-141.6 140.1 -58.1 -52.8 11.2 928 450 B H B -X 880 0L 2 -2,-0.4 -11,-2.8 -48,-0.3 -10,-0.3 -0.849 21.3-153.6-145.7 172.0 -58.4 -50.2 14.0 929 451 B F E -Z 916 0N 0 -50,-1.1 2,-0.6 -13,-0.3 -10,-0.0 -0.940 19.1-129.6-154.4 145.5 -59.1 -46.6 14.9 930 452 B R E -Z 915 0N 0 -15,-3.3 -15,-1.5 -2,-0.3 2,-0.4 -0.836 21.2-177.2 -99.5 118.5 -58.0 -44.4 17.8 931 453 B C E -Y 877 0M 7 -54,-1.5 -54,-2.9 -2,-0.6 -401,-0.2 -0.909 27.6-121.0-106.7 141.4 -60.5 -42.4 19.8 932 454 B T E -Y 876 0M 0 -403,-1.8 -56,-0.2 -2,-0.4 -400,-0.1 -0.300 6.6-139.8 -69.4 155.5 -59.4 -40.1 22.6 933 455 B I S S+ 0 0 2 -58,-2.8 -57,-0.1 1,-0.2 -1,-0.1 0.319 81.2 91.9 -97.8 12.5 -60.7 -40.7 26.1 934 456 B L + 0 0 3 -59,-0.3 -396,-0.3 -405,-0.1 -395,-0.3 0.324 38.9 115.5-104.8 -5.9 -61.0 -37.0 26.6 935 457 B P S S- 0 0 5 0, 0.0 5,-0.2 0, 0.0 -398,-0.0 -0.513 82.6 -85.0 -65.6 141.2 -64.5 -35.5 25.7 936 458 B Q >> - 0 0 61 -2,-0.2 3,-1.5 1,-0.1 4,-0.8 -0.067 43.4-107.3 -47.0 146.5 -66.2 -34.1 28.7 937 459 B E T 34 S+ 0 0 70 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.721 115.0 51.5 -52.2 -35.6 -68.1 -36.7 30.8 938 460 B D T 3> S+ 0 0 152 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.697 103.2 57.7 -72.6 -31.4 -71.6 -35.5 29.7 939 461 B K H <> S+ 0 0 60 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.734 86.6 79.7 -80.0 -19.2 -71.0 -35.5 26.0 940 462 B I H X S+ 0 0 16 -4,-0.8 4,-3.3 -3,-0.2 5,-0.3 0.925 89.0 49.8 -58.1 -56.3 -70.0 -39.2 25.7 941 463 B P H > S+ 0 0 78 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.882 114.7 46.0 -51.3 -42.5 -73.5 -40.8 25.7 942 464 B A H >X S+ 0 0 55 -4,-0.5 4,-1.7 1,-0.2 3,-0.8 0.935 113.1 51.0 -67.0 -42.7 -74.7 -38.4 23.0 943 465 B V H 3X S+ 0 0 20 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 109.3 48.9 -60.7 -44.5 -71.5 -39.0 21.0 944 466 B I H 3X S+ 0 0 36 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.628 105.2 59.2 -79.0 -3.4 -71.8 -42.8 21.2 945 467 B S H