==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-APR-11 3RNG . COMPND 2 MOLECULE: TOLUENE O-XYLENE MONOOXYGENASE COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. OX1; . AUTHOR G.GUCINSKI,W.J.SONG,S.J.LIPPARD,M.H.SAZINSKY . 896 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 667 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 3.2 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 . 2 0.2 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 . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 420 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 6 2 2 3 2 7 2 2 1 3 1 0 1 1 0 0 0 0 2 1 2 0 0 0 1 0 2 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A S 0 0 72 0, 0.0 2,-0.3 0, 0.0 589,-0.1 0.000 360.0 360.0 360.0 148.3 97.8 5.3 9.7 2 3 A M - 0 0 79 588,-0.1 2,-0.1 1,-0.1 3,-0.0 -0.735 360.0-108.8-107.0 157.7 96.0 2.0 8.8 3 4 A L - 0 0 37 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.407 35.8-108.2 -74.5 160.2 95.8 0.1 5.5 4 5 A K > - 0 0 128 1,-0.1 3,-1.1 -2,-0.1 4,-0.5 -0.698 31.0-116.2 -88.4 148.7 92.7 0.0 3.5 5 6 A R G >> S+ 0 0 77 -2,-0.3 4,-2.4 1,-0.2 3,-1.9 0.890 109.9 63.1 -51.8 -50.0 91.0 -3.3 3.7 6 7 A E G 34 S+ 0 0 127 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.795 96.4 63.0 -49.3 -32.6 91.3 -4.1 -0.0 7 8 A D G <4 S+ 0 0 73 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.720 119.0 16.8 -66.1 -29.4 95.1 -4.1 0.4 8 9 A W T X> S+ 0 0 11 -3,-1.9 3,-1.8 -4,-0.5 4,-0.7 0.568 92.0 99.8-121.8 -18.4 95.5 -7.0 2.8 9 10 A Y H >X S+ 0 0 7 -4,-2.4 3,-2.0 1,-0.3 4,-0.6 0.857 78.6 60.2 -40.2 -50.6 92.3 -9.0 2.7 10 11 A D H >4 S+ 0 0 95 -4,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.794 97.0 59.1 -53.8 -31.8 93.6 -11.7 0.3 11 12 A L H X4 S+ 0 0 9 -3,-1.8 3,-1.0 1,-0.2 -1,-0.3 0.747 94.3 64.8 -71.7 -20.6 96.3 -12.7 2.7 12 13 A T H << S+ 0 0 8 -3,-2.0 -1,-0.2 -4,-0.7 -2,-0.2 0.788 112.1 36.7 -65.7 -25.8 93.7 -13.6 5.3 13 14 A R T << S+ 0 0 39 -3,-0.9 2,-0.7 -4,-0.6 -1,-0.2 -0.132 86.4 98.9-120.9 30.2 92.5 -16.3 2.9 14 15 A T < + 0 0 55 -3,-1.0 -1,-0.1 1,-0.1 600,-0.0 -0.830 49.5 120.2-113.8 85.2 95.8 -17.5 1.4 15 16 A T + 0 0 1 -2,-0.7 -1,-0.1 603,-0.1 604,-0.1 0.567 28.3 111.0-135.3 -17.4 96.0 -20.4 3.7 16 17 A N + 0 0 7 -3,-0.2 2,-0.3 102,-0.1 599,-0.0 -0.343 38.9 173.7 -59.3 142.1 96.1 -23.6 1.6 17 18 A W - 0 0 9 598,-0.1 659,-0.0 661,-0.0 -2,-0.0 -0.953 38.7-102.3-145.6 158.8 99.4 -25.6 1.7 18 19 A T - 0 0 72 -2,-0.3 5,-0.0 1,-0.0 -2,-0.0 -0.776 39.3-139.2 -88.2 109.9 100.4 -29.0 0.2 19 20 A P + 0 0 15 0, 0.0 5,-0.2 0, 0.0 670,-0.1 -0.262 30.4 166.4 -65.9 157.9 100.4 -31.5 3.0 20 21 A K S S+ 0 0 144 3,-0.1 669,-0.0 4,-0.0 4,-0.0 0.489 70.1 57.7-137.7 -50.8 103.3 -34.1 3.1 21 22 A Y S S+ 0 0 58 667,-0.0 2,-0.3 2,-0.0 668,-0.0 0.630 125.7 17.0 -71.1 -14.2 103.3 -35.8 6.5 22 23 A V S S- 0 0 9 0, 0.0 2,-0.2 0, 0.0 671,-0.1 -0.832 95.1-102.8-136.0 176.8 99.7 -36.8 5.8 23 24 A T > - 0 0 76 -2,-0.3 4,-2.8 1,-0.1 3,-0.4 -0.677 26.7-109.8-107.0 159.0 97.9 -36.9 2.4 24 25 A E H > S+ 0 0 64 1,-0.2 4,-3.3 -2,-0.2 -1,-0.1 0.937 119.7 49.5 -48.3 -53.9 95.3 -34.5 1.0 25 26 A N H 4 S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.780 110.2 51.0 -60.1 -33.8 92.5 -37.2 1.4 26 27 A E H 4 S+ 0 0 94 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.929 116.8 39.6 -64.9 -46.9 93.5 -37.9 5.0 27 28 A L H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.820 130.0 31.3 -74.0 -31.2 93.4 -34.2 5.8 28 29 A F S < S- 0 0 7 -4,-3.3 -1,-0.3 -5,-0.3 7,-0.2 -0.689 82.4-162.1-125.2 77.2 90.3 -33.6 3.7 29 30 A P >> - 0 0 19 0, 0.0 4,-2.1 0, 0.0 3,-1.8 -0.430 22.4-129.3 -65.2 133.4 88.3 -36.8 3.9 30 31 A E H 3> S+ 0 0 83 1,-0.3 4,-1.2 2,-0.2 6,-0.1 0.789 104.6 63.0 -54.3 -33.1 85.7 -36.7 1.0 31 32 A E H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 508,-0.1 0.769 116.0 30.6 -65.0 -24.8 82.8 -37.6 3.3 32 33 A M H <4 S+ 0 0 0 -3,-1.8 152,-3.7 151,-0.2 -2,-0.2 0.722 130.0 33.6-103.0 -27.5 83.3 -34.3 5.2 33 34 A S H < S- 0 0 1 -4,-2.1 152,-2.2 150,-0.3 -3,-0.2 0.890 76.5-156.8 -91.8 -48.5 84.7 -32.0 2.5 34 35 A G < + 0 0 0 -4,-1.2 -4,-0.1 -5,-0.3 -3,-0.1 0.934 25.6 165.0 63.1 51.6 83.0 -33.1 -0.6 35 36 A A > - 0 0 3 -7,-0.2 3,-1.7 1,-0.1 -1,-0.1 0.646 34.3-147.0 -72.3 -16.1 85.7 -31.8 -2.9 36 37 A R T 3 - 0 0 44 1,-0.3 3,-0.1 -6,-0.1 -1,-0.1 0.743 60.1 -59.4 59.3 35.2 84.1 -33.9 -5.7 37 38 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.328 104.9 131.4 77.5 -8.3 87.4 -34.7 -7.6 38 39 A I < - 0 0 14 -3,-1.7 -1,-0.3 1,-0.1 2,-0.0 -0.547 59.9-108.7 -75.1 145.2 87.9 -30.9 -8.1 39 40 A S > - 0 0 62 -2,-0.2 4,-1.6 -3,-0.1 3,-0.3 -0.280 11.8-117.7 -83.2 156.8 91.4 -29.8 -7.2 40 41 A M H >> S+ 0 0 15 1,-0.2 3,-1.4 2,-0.2 4,-1.1 0.976 117.4 51.5 -46.5 -63.1 92.7 -27.7 -4.3 41 42 A E H 34 S+ 0 0 154 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.789 107.4 52.9 -44.7 -36.9 93.9 -25.0 -6.8 42 43 A A H >4 S+ 0 0 16 -3,-0.3 3,-0.6 1,-0.2 -1,-0.3 0.773 105.2 53.5 -81.5 -25.6 90.4 -24.9 -8.5 43 44 A W H X< S+ 0 0 4 -4,-1.6 3,-1.7 -3,-1.4 -1,-0.2 0.666 93.0 74.4 -72.3 -21.9 88.6 -24.3 -5.2 44 45 A E T 3< S+ 0 0 78 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.598 80.7 70.7 -69.3 -10.1 91.0 -21.3 -4.6 45 46 A K T < S+ 0 0 164 -3,-0.6 2,-0.3 -4,-0.2 -1,-0.3 0.629 70.4 121.3 -74.9 -9.3 88.9 -19.5 -7.3 46 47 A Y < + 0 0 7 -3,-1.7 2,-0.5 1,-0.1 75,-0.3 -0.384 42.2 179.6 -60.0 113.3 86.2 -19.4 -4.6 47 48 A D - 0 0 81 -2,-0.3 -1,-0.1 74,-0.1 -2,-0.0 -0.886 18.6-145.2-129.7 108.7 85.5 -15.7 -4.1 48 49 A E - 0 0 1 -2,-0.5 188,-0.1 1,-0.1 3,-0.1 -0.306 4.6-148.4 -69.0 138.1 82.9 -14.4 -1.6 49 50 A P S S+ 0 0 74 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.901 84.7 55.7 -75.5 -36.6 81.0 -11.3 -2.5 50 51 A Y S S- 0 0 153 181,-0.2 2,-0.4 182,-0.1 185,-0.1 -0.861 75.8-166.7-103.8 115.1 80.5 -9.9 1.0 51 52 A K + 0 0 59 -2,-0.7 2,-0.3 -3,-0.1 181,-0.0 -0.812 14.9 161.8-107.9 134.7 83.8 -9.5 2.9 52 53 A I - 0 0 18 -2,-0.4 2,-0.3 180,-0.1 76,-0.1 -0.944 18.9-149.2-138.9 165.3 84.5 -8.8 6.6 53 54 A T >> - 0 0 4 -2,-0.3 4,-2.2 1,-0.1 3,-0.6 -0.977 34.5 -96.3-135.0 156.2 87.6 -9.2 8.9 54 55 A Y H 3> S+ 0 0 3 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 0.786 117.5 47.5 -36.7 -55.2 88.0 -9.9 12.6 55 56 A P H 3> S+ 0 0 19 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.928 114.5 46.4 -66.0 -40.2 88.2 -6.4 14.0 56 57 A E H <> S+ 0 0 60 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.900 111.9 54.0 -55.8 -47.1 85.2 -5.1 12.0 57 58 A Y H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.955 110.5 42.3 -54.7 -58.4 83.2 -8.2 13.0 58 59 A V H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.700 117.1 50.6 -66.7 -18.0 83.7 -7.9 16.8 59 60 A S H X S+ 0 0 51 -4,-1.0 4,-1.4 -5,-0.3 -2,-0.2 0.955 114.5 38.9 -86.4 -56.3 83.1 -4.2 16.6 60 61 A I H X S+ 0 0 71 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.914 116.7 51.7 -50.4 -52.6 79.8 -4.1 14.6 61 62 A Q H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.794 102.5 59.3 -68.8 -24.8 78.4 -7.1 16.4 62 63 A R H X S+ 0 0 77 -4,-0.6 4,-2.1 -5,-0.3 -1,-0.3 0.940 108.1 46.8 -60.1 -44.6 79.1 -5.5 19.8 63 64 A E H X S+ 0 0 124 -4,-1.4 4,-2.4 -3,-0.3 -2,-0.2 0.960 107.5 55.4 -62.5 -51.3 76.8 -2.7 18.6 64 65 A K H X S+ 0 0 44 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.879 112.1 43.5 -50.4 -47.4 74.1 -5.0 17.4 65 66 A D H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.859 108.0 57.0 -68.0 -36.0 73.9 -6.7 20.8 66 67 A S H X S+ 0 0 52 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.968 112.2 45.5 -59.3 -46.7 74.1 -3.4 22.8 67 68 A G H >X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 3,-0.6 0.985 114.9 43.7 -50.7 -75.4 71.0 -2.3 20.9 68 69 A A H 3X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.852 118.6 43.1 -39.7 -52.3 69.0 -5.5 21.1 69 70 A Y H 3X S+ 0 0 31 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.840 111.2 53.4 -74.9 -30.6 69.7 -6.1 24.8 70 71 A S H < S+ 0 0 60 -4,-2.1 3,-2.1 1,-0.2 4,-0.4 0.618 92.8 94.8 -94.3 -17.9 60.5 -2.7 27.6 76 77 A E G >< S+ 0 0 86 -4,-1.4 3,-2.1 -5,-0.3 -1,-0.2 0.848 80.7 52.7 -43.3 -53.1 60.7 -5.6 30.0 77 78 A R G 3 S+ 0 0 247 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.542 99.8 64.6 -67.7 -7.6 58.8 -4.0 33.0 78 79 A D G < S- 0 0 91 -3,-2.1 -1,-0.3 -4,-0.0 -2,-0.2 0.490 91.6-151.0 -93.0 -7.2 55.9 -3.0 30.7 79 80 A G X + 0 0 10 -3,-2.1 3,-0.9 -4,-0.4 4,-0.1 0.814 24.9 173.9 35.7 57.2 55.2 -6.7 30.1 80 81 A F G >> S+ 0 0 39 -5,-0.4 3,-2.4 1,-0.2 4,-1.1 0.845 71.7 70.0 -57.2 -37.4 53.7 -6.4 26.6 81 82 A V G >4 S+ 0 0 21 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.901 87.1 67.8 -45.8 -44.6 53.5 -10.2 26.3 82 83 A D G <4 S+ 0 0 114 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.531 112.7 28.3 -52.8 -14.0 50.7 -10.1 29.0 83 84 A R G <4 S+ 0 0 158 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.479 85.6 124.7-128.9 -10.0 48.3 -8.4 26.6 84 85 A A S << S- 0 0 12 -4,-1.1 131,-0.1 -3,-0.8 5,-0.1 -0.221 77.1 -92.9 -59.4 142.6 49.3 -9.4 23.1 85 86 A D >> - 0 0 59 129,-0.2 4,-1.5 1,-0.2 3,-1.4 -0.308 39.0-126.4 -43.8 130.6 46.6 -11.0 20.8 86 87 A P H 3> S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 258,-0.2 0.701 108.3 72.0 -74.6 -8.2 47.2 -14.7 21.5 87 88 A G H 3> S+ 0 0 0 2,-0.2 4,-1.9 3,-0.1 259,-0.1 0.904 105.3 41.9 -55.1 -40.7 47.6 -15.3 17.8 88 89 A W H <> S+ 0 0 7 -3,-1.4 4,-2.7 2,-0.2 5,-0.2 0.967 110.1 52.9 -67.8 -59.1 50.9 -13.4 18.4 89 90 A V H X S+ 0 0 25 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.894 113.0 47.5 -46.1 -46.0 52.0 -15.1 21.6 90 91 A S H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.953 106.5 55.8 -62.0 -51.6 51.5 -18.4 19.9 91 92 A T H X S+ 0 0 8 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.888 113.3 44.1 -44.4 -45.3 53.4 -17.3 16.8 92 93 A M H X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 3,-0.4 0.967 109.7 51.6 -69.0 -55.7 56.3 -16.5 19.1 93 94 A Q H X S+ 0 0 10 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.820 111.8 49.3 -53.4 -35.8 56.2 -19.7 21.3 94 95 A L H X S+ 0 0 7 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.3 0.885 110.5 51.6 -67.1 -39.8 56.2 -21.8 18.1 95 96 A H H X S+ 0 0 16 -4,-1.5 4,-2.7 -3,-0.4 5,-0.4 0.988 110.9 44.8 -63.6 -63.7 59.2 -19.8 16.7 96 97 A F H X S+ 0 0 6 -4,-2.0 4,-1.5 1,-0.2 5,-0.4 0.877 115.6 49.2 -44.2 -50.5 61.5 -20.2 19.8 97 98 A G H < S+ 0 0 1 -4,-1.6 4,-0.4 -5,-0.3 64,-0.3 0.948 118.9 35.7 -57.1 -53.3 60.6 -23.9 20.1 98 99 A A H < S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.777 129.5 28.5 -76.3 -26.3 61.3 -24.8 16.5 99 100 A I H >X S+ 0 0 27 -4,-2.7 4,-3.0 -5,-0.2 3,-0.9 0.860 95.7 76.9-107.9 -42.5 64.2 -22.5 15.8 100 101 A A H 3X S+ 0 0 1 -4,-1.5 4,-1.7 -5,-0.4 40,-0.1 0.838 105.1 35.3 -49.5 -55.0 66.4 -21.7 18.8 101 102 A L H 3> S+ 0 0 1 56,-0.4 4,-2.1 -5,-0.4 -1,-0.3 0.714 115.1 57.2 -73.5 -18.5 68.3 -24.9 19.2 102 103 A E H <> S+ 0 0 2 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.924 104.0 53.0 -75.7 -39.4 68.5 -25.4 15.4 103 104 A E H X S+ 0 0 19 -4,-3.0 4,-0.8 2,-0.2 3,-0.4 0.950 110.9 49.2 -48.4 -52.3 70.2 -21.9 15.2 104 105 A Y H >X S+ 0 0 2 -4,-1.7 3,-1.5 -5,-0.3 4,-0.6 0.925 108.8 50.1 -55.1 -46.3 72.6 -23.4 17.7 105 106 A A H >X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.3 3,-0.6 0.769 98.1 70.3 -69.8 -20.8 73.1 -26.5 15.7 106 107 A A H 3X S+ 0 0 5 -4,-1.9 4,-2.7 -3,-0.4 -1,-0.3 0.848 87.2 64.0 -62.0 -29.9 73.8 -24.3 12.7 107 108 A S H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 3,-0.6 0.924 107.4 61.5 -68.9 -45.1 79.2 -23.9 9.8 111 112 A A H 3X S+ 0 0 0 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.781 100.6 58.1 -47.2 -29.4 82.0 -25.4 11.9 112 113 A R H 3X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.5 -1,-0.2 0.908 108.7 40.5 -72.8 -47.1 81.9 -28.2 9.3 113 114 A M H - 0 0 1 1,-0.2 4,-2.1 -77,-0.0 3,-0.2 -0.635 68.4-156.4 -68.2 103.7 88.1 -23.1 -0.5 120 121 A P H > S+ 0 0 8 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.857 91.8 55.9 -55.5 -38.7 90.0 -20.9 2.0 121 122 A G H > S+ 0 0 3 -75,-0.3 4,-2.5 1,-0.2 3,-0.3 0.955 107.8 49.9 -57.1 -49.9 87.6 -18.0 1.6 122 123 A N H > S+ 0 0 2 -3,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.908 105.0 58.8 -50.0 -48.9 84.8 -20.3 2.5 123 124 A R H X S+ 0 0 1 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.887 111.7 37.9 -53.9 -42.8 86.8 -21.5 5.6 124 125 A N H >X S+ 0 0 5 -4,-1.8 4,-1.6 -3,-0.3 3,-1.2 0.921 113.7 54.0 -78.3 -42.9 87.0 -18.1 7.2 125 126 A M H 3X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.3 3,-0.3 0.942 107.0 54.3 -51.4 -49.8 83.5 -16.9 6.2 126 127 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.3 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168 A A H 3> S+ 0 0 20 2,-0.2 4,-3.6 1,-0.2 -1,-0.3 0.898 106.7 55.8 -62.9 -45.3 57.1 -30.7 15.0 168 169 A A H <> S+ 0 0 0 -3,-1.1 4,-3.1 1,-0.2 5,-0.2 0.877 110.8 46.6 -55.0 -39.4 60.5 -31.4 16.7 169 170 A I H X S+ 0 0 3 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.926 111.6 49.2 -70.8 -47.0 60.9 -34.5 14.4 170 171 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 230,-0.2 -2,-0.2 0.958 115.6 46.3 -53.2 -52.2 59.8 -32.5 11.3 171 172 A A H >X S+ 0 0 2 -4,-3.6 4,-2.2 2,-0.2 3,-0.9 0.986 115.5 42.3 -52.3 -68.3 62.4 -29.9 12.3 172 173 A R H 3X S+ 0 0 11 -4,-3.1 4,-1.7 1,-0.3 5,-0.4 0.822 110.2 60.7 -54.8 -30.9 65.3 -32.2 13.1 173 174 A S H 3X S+ 0 0 4 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.3 0.942 111.0 38.9 -59.5 -45.7 64.3 -34.2 10.0 174 175 A F H S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 5,-1.4 0.962 112.4 52.4 -60.9 -52.4 68.1 -29.6 9.6 176 177 A D H <>S+ 0 0 1 -4,-1.7 5,-1.1 -5,-0.3 4,-0.4 0.912 114.1 47.5 -51.0 -36.7 69.9 -32.9 10.1 177 178 A D H <5S+ 0 0 0 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.936 120.3 32.9 -70.8 -45.9 69.3 -33.6 6.4 178 179 A M H <5S+ 0 0 0 -4,-2.4 13,-0.3 -5,-0.1 12,-0.2 0.908 136.4 9.4 -76.8 -44.2 70.5 -30.2 5.0 179 180 A M T <5S+ 0 0 1 -4,-2.7 -3,-0.2 -5,-0.2 -67,-0.1 0.661 121.3 48.5-123.9 -18.9 73.2 -29.1 7.4 180 181 A M T - 0 0 23 -2,-0.3 4,-2.7 -153,-0.1 -150,-0.3 -0.182 45.4 -95.1 -63.7 163.1 79.8 -32.7 3.5 184 185 A S H > S+ 0 0 0 -152,-3.7 4,-2.1 -72,-0.2 -150,-0.2 0.882 125.2 44.4 -45.9 -53.5 81.2 -29.1 3.6 185 186 A V H > S+ 0 0 6 -152,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.937 112.2 53.4 -64.2 -45.8 80.4 -28.3 -0.0 186 187 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.908 108.5 50.6 -50.6 -48.4 77.0 -29.9 0.3 187 188 A V H X>S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-1.2 0.898 103.0 57.1 -59.9 -46.2 76.2 -27.7 3.3 188 189 A S H X>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 4,-0.6 0.924 117.6 36.1 -54.6 -43.0 77.2 -24.5 1.7 189 190 A I H <>S+ 0 0 0 -4,-1.7 5,-2.6 3,-0.2 6,-0.2 0.946 121.4 40.6 -74.4 -55.1 74.6 -25.2 -1.1 190 191 A M H <>S+ 0 0 0 -4,-3.1 5,-0.9 -12,-0.2 -3,-0.2 0.857 129.7 26.7 -72.8 -27.9 71.8 -26.9 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209 210 A A H X S+ 0 0 51 -4,-2.2 4,-2.8 2,-0.2 3,-0.4 0.963 112.7 49.2 -60.6 -49.8 57.4 -6.3 10.2 210 211 A D H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.895 108.0 52.9 -56.0 -43.8 54.7 -8.5 11.7 211 212 A A H <>S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 4,-0.3 0.882 112.7 45.4 -59.2 -37.3 56.2 -8.2 15.2 212 213 A A H ><5S+ 0 0 42 -4,-1.5 3,-2.3 -3,-0.4 -2,-0.2 0.965 109.9 52.3 -72.0 -58.0 56.1 -4.4 14.8 213 214 A E H 3<5S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 109.1 52.9 -37.1 -44.4 52.6 -4.3 13.5 214 215 A A T 3<5S- 0 0 36 -4,-2.2 -1,-0.3 -5,-0.2 -129,-0.2 0.598 117.5-114.5 -79.0 -10.0 51.6 -6.4 16.5 215 216 A G T < 5S+ 0 0 24 -3,-2.3 2,-1.1 -4,-0.3 3,-0.2 0.477 75.9 129.3 90.0 2.0 53.2 -3.9 18.9 216 217 A D >< + 0 0 14 -5,-2.0 4,-2.1 -6,-0.2 -1,-0.2 -0.782 22.6 165.2 -88.0 95.4 55.9 -6.3 20.2 217 218 A H H > S+ 0 0 103 -2,-1.1 4,-3.6 2,-0.2 5,-0.3 0.888 70.5 61.1 -80.1 -40.2 59.0 -4.2 19.7 218 219 A T H > S+ 0 0 27 1,-0.2 4,-2.1 -3,-0.2 -1,-0.1 0.959 113.9 37.5 -44.5 -58.1 61.2 -6.3 21.9 219 220 A F H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.919 113.3 56.2 -63.6 -48.1 60.6 -9.2 19.4 220 221 A A H X S+ 0 0 12 -4,-2.1 4,-2.0 -9,-0.2 -1,-0.2 0.927 110.9 46.0 -47.1 -47.9 60.6 -6.9 16.3 221 222 A S H X S+ 0 0 35 -4,-3.6 4,-2.8 2,-0.2 -1,-0.2 0.914 111.1 53.9 -64.0 -42.9 64.1 -5.7 17.4 222 223 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.964 113.8 37.9 -52.3 -61.0 65.2 -9.3 18.0 223 224 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.878 115.0 56.4 -65.9 -33.2 64.3 -10.7 14.7 224 225 A S H X S+ 0 0 59 -4,-2.0 4,-1.4 -5,-0.4 -1,-0.2 0.937 108.0 46.4 -69.0 -44.9 65.4 -7.5 13.0 225 226 A S H >X S+ 0 0 17 -4,-2.8 4,-0.7 1,-0.2 3,-0.6 0.954 111.9 49.8 -59.6 -53.7 68.9 -7.7 14.4 226 227 A I H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.872 104.3 61.2 -52.1 -37.5 69.5 -11.3 13.7 227 228 A Q H >< S+ 0 0 34 -4,-2.0 3,-2.1 1,-0.3 4,-0.4 0.910 92.5 64.1 -64.2 -36.9 68.4 -10.7 10.2 228 229 A T H << S+ 0 0 64 -4,-1.4 4,-0.3 -3,-0.6 -1,-0.3 0.700 100.2 54.7 -55.9 -25.0 71.3 -8.2 9.6 229 230 A D T S+ 0 0 5 -3,-2.1 4,-3.9 -4,-0.4 3,-1.3 0.949 82.9 45.7 -62.9 -56.5 72.2 -13.4 7.4 231 232 A S H 3> S+ 0 0 56 -4,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.851 98.9 71.7 -60.9 -35.7 73.9 -12.5 4.1 232 233 A R H 34 S+ 0 0 27 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.860 122.5 12.9 -45.9 -42.4 77.4 -12.4 5.6 233 234 A H H X< S+ 0 0 0 -3,-1.3 3,-1.6 -4,-0.8 -2,-0.2 0.661 117.4 71.4-109.0 -24.0 77.2 -16.2 5.9 234 235 A A H >< S+ 0 0 2 -4,-3.9 3,-0.9 -5,-0.3 -37,-0.3 0.785 87.4 71.6 -57.5 -27.6 74.2 -16.9 3.7 235 236 A Q T >< S+ 0 0 17 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.2 0.700 70.6 93.4 -57.3 -23.0 76.4 -15.9 0.7 236 237 A Q T <> S+ 0 0 0 -3,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.613 74.4 58.7 -61.4 -16.2 78.4 -19.1 1.0 237 238 A G H <> S+ 0 0 0 -3,-0.9 4,-2.8 -49,-0.2 -1,-0.2 0.892 92.3 67.1 -80.3 -39.1 76.5 -21.2 -1.5 238 239 A G H <> S+ 0 0 14 -3,-1.0 4,-2.2 -4,-0.2 5,-0.2 0.905 101.9 43.0 -43.4 -65.0 76.9 -19.1 -4.6 239 240 A P H > S+ 0 0 6 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.852 114.3 53.2 -55.6 -39.0 80.6 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132.3-131.2 42.2 79.2 -31.0 -12.1 250 251 A K H > S+ 0 0 90 -5,-0.3 4,-3.2 1,-0.2 -5,-0.1 0.842 72.7 55.6 -59.1 -30.2 76.1 -29.0 -13.0 251 252 A D H > S+ 0 0 118 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.946 110.3 40.5 -71.6 -48.1 74.0 -32.2 -12.4 252 253 A E H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.868 117.0 51.5 -63.4 -40.8 75.0 -32.8 -8.8 253 254 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.4 0.997 112.1 47.0 -56.0 -63.1 74.9 -29.2 -8.2 254 255 A Q H X S+ 0 0 21 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.837 110.3 52.8 -39.0 -53.8 71.3 -29.2 -9.7 255 256 A Q H X S+ 0 0 80 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.901 107.1 47.8 -62.3 -46.4 70.2 -32.1 -7.7 256 257 A M H X S+ 0 0 17 -4,-2.0 4,-2.9 -3,-0.4 -1,-0.2 0.868 112.9 52.3 -62.4 -35.4 71.1 -30.9 -4.2 257 258 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.947 108.3 48.8 -67.2 -46.0 69.5 -27.7 -5.1 258 259 A D H X S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.985 116.6 42.9 -52.9 -60.7 66.3 -29.4 -6.1 259 260 A V H X S+ 0 0 6 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.894 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A D H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.912 111.0 48.2 -54.1 -45.8 59.0 -35.9 -1.3 433 434 A R H X S+ 0 0 46 -4,-1.9 4,-2.3 1,-0.2 3,-0.4 0.940 108.8 52.9 -61.6 -48.3 59.0 -39.4 -2.8 434 435 A W H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.819 103.1 59.1 -58.4 -32.9 61.6 -38.5 -5.4 435 436 A C H X S+ 0 0 1 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.905 110.0 42.0 -61.2 -46.2 63.9 -37.2 -2.6 436 437 A F H >< S+ 0 0 3 -4,-1.4 3,-0.7 -3,-0.4 -2,-0.2 0.893 113.2 55.6 -62.0 -43.8 63.9 -40.7 -0.9 437 438 A Q H 3< S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.860 104.8 47.7 -70.5 -38.2 64.2 -42.4 -4.2 438 439 A I H 3< S+ 0 0 57 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.682 129.9 24.6 -71.5 -18.1 67.4 -40.7 -5.6 439 440 A D S X< S+ 0 0 50 -3,-0.7 3,-2.0 -4,-0.6 4,-0.4 -0.323 72.2 158.9-142.6 57.9 69.1 -41.3 -2.2 440 441 A P G >> + 0 0 32 0, 0.0 4,-2.9 0, 0.0 3,-1.9 0.848 69.1 60.8 -58.4 -40.7 67.5 -44.3 -0.5 441 442 A E G 34 S+ 0 0 128 1,-0.3 4,-0.3 2,-0.2 95,-0.3 0.646 95.6 64.4 -61.9 -15.4 70.3 -45.2 1.8 442 443 A R G <4 S+ 0 0 13 -3,-2.0 92,-2.0 -6,-0.2 -1,-0.3 0.706 121.6 16.2 -80.0 -17.9 70.0 -41.8 3.5 443 444 A Y T X4 S+ 0 0 13 -3,-1.9 3,-2.9 -4,-0.4 -2,-0.2 0.666 92.6 98.5-126.6 -39.9 66.6 -42.6 4.7 444 445 A K T 3< S+ 0 0 52 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.717 87.2 50.6 -15.9 -60.8 65.7 -46.3 4.6 445 446 A N T 3 S+ 0 0 57 -4,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.506 91.4 101.1 -68.1 -13.1 66.5 -46.9 8.2 446 447 A H < - 0 0 10 -3,-2.9 2,-0.4 -49,-0.1 88,-0.1 -0.396 51.7-158.4 -91.9 155.5 64.3 -44.1 9.7 447 448 A T - 0 0 20 -2,-0.1 2,-0.2 86,-0.1 -2,-0.0 -0.997 6.3-148.2-139.2 129.6 60.9 -44.3 11.2 448 449 A N > - 0 0 0 -2,-0.4 4,-1.9 -53,-0.1 3,-0.5 -0.468 42.8 -84.3 -93.8 173.5 58.4 -41.5 11.6 449 450 A L H > S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.725 127.7 49.6 -52.5 -37.4 55.9 -41.2 14.4 450 451 A V H > S+ 0 0 4 2,-0.2 4,-3.6 1,-0.2 -1,-0.3 0.951 109.3 52.0 -71.1 -50.1 53.3 -43.4 12.9 451 452 A D H 4 S+ 0 0 22 -3,-0.5 4,-0.4 1,-0.2 6,-0.2 0.875 109.7 50.6 -48.1 -43.6 55.9 -46.2 12.2 452 453 A R H ><>S+ 0 0 15 -4,-1.9 5,-2.5 2,-0.2 3,-0.9 0.930 112.5 45.0 -68.7 -44.1 56.9 -46.0 15.8 453 454 A F H ><5S+ 0 0 43 -4,-2.4 3,-1.9 1,-0.2 5,-0.2 0.963 112.6 52.7 -53.7 -56.1 53.4 -46.3 17.1 454 455 A L T 3<5S+ 0 0 62 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.515 110.1 49.7 -58.7 -7.3 52.8 -49.1 14.6 455 456 A K T < 5S- 0 0 140 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.402 117.6-104.4-116.0 -2.2 55.8 -50.9 15.9 456 457 A G T < 5S+ 0 0 35 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.557 84.8 124.2 89.0 9.4 55.1 -50.8 19.6 457 458 A E < + 0 0 89 -5,-2.5 2,-0.6 -6,-0.2 -4,-0.2 0.756 64.1 66.0 -72.9 -21.3 57.6 -48.1 20.4 458 459 A I S S- 0 0 2 -6,-0.7 8,-0.1 -5,-0.2 -2,-0.1 -0.916 83.4-147.1-107.0 118.6 54.8 -45.9 21.9 459 460 A Q S S+ 0 0 130 -2,-0.6 2,-0.2 6,-0.3 -6,-0.0 -0.998 81.2 33.0-140.2 133.6 53.4 -47.5 25.1 460 461 A P S S- 0 0 80 0, 0.0 2,-0.4 0, 0.0 5,-0.1 0.654 91.2-142.3 -60.8 151.1 50.6 -47.4 26.3 461 462 A A + 0 0 48 -2,-0.2 2,-0.2 4,-0.1 -2,-0.1 -0.032 67.0 96.9 -84.5 32.4 49.6 -47.3 22.6 462 463 A D S >> S- 0 0 82 -2,-0.4 4,-1.8 -71,-0.0 3,-0.7 -0.551 94.3 -90.8-105.5-179.1 46.7 -45.0 23.2 463 464 A L H 3> S+ 0 0 51 1,-0.2 4,-0.9 2,-0.2 -2,-0.0 0.698 124.9 54.7 -64.2 -24.1 46.6 -41.2 22.7 464 465 A A H 3> S+ 0 0 65 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.749 107.8 51.0 -82.9 -25.9 47.6 -40.5 26.3 465 466 A G H <> S+ 0 0 4 -3,-0.7 4,-1.8 2,-0.2 -6,-0.3 0.830 107.0 51.6 -77.7 -39.9 50.7 -42.6 25.8 466 467 A A H X S+ 0 0 7 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.803 106.8 57.5 -62.4 -31.0 51.7 -40.9 22.6 467 468 A L H <>S+ 0 0 32 -4,-0.9 5,-1.8 2,-0.2 -1,-0.2 0.811 108.8 42.9 -70.6 -30.4 51.3 -37.7 24.7 468 469 A M H ><5S+ 0 0 126 -4,-0.7 3,-1.4 -3,-0.3 -2,-0.2 0.784 109.6 57.5 -84.2 -31.0 53.9 -38.9 27.3 469 470 A Y H 3<5S+ 0 0 61 -4,-1.8 -305,-0.4 1,-0.3 -2,-0.2 0.708 107.8 49.0 -66.4 -24.8 56.2 -40.2 24.5 470 471 A M T 3<5S- 0 0 6 -4,-0.9 -305,-0.3 -307,-0.1 -1,-0.3 0.133 113.6-120.4-102.0 16.0 56.2 -36.7 23.2 471 472 A S T < 5 + 0 0 37 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.598 65.3 143.3 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0 0 26 -4,-2.1 4,-3.1 2,-0.2 5,-0.6 0.883 105.4 56.2 -65.0 -43.5 114.2 -12.8 10.6 606 121 B L H X>S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 5,-2.2 0.937 108.9 47.6 -54.5 -44.7 110.6 -11.5 10.4 607 122 B A H <5S+ 0 0 17 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.824 119.5 37.6 -68.1 -32.7 110.2 -13.2 6.9 608 123 B R H <5S+ 0 0 81 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.934 134.2 19.0 -81.2 -44.9 111.7 -16.6 8.1 609 124 B F H <5S+ 0 0 10 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.596 126.7 35.3-109.1 -17.1 110.2 -16.7 11.5 610 125 B Y T >< > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.7 0.603 77.8 92.3 -60.7 -4.8 104.8 -17.6 7.7 613 128 B A H <> + 0 0 2 -3,-0.5 4,-2.3 1,-0.3 5,-0.2 0.491 60.2 83.2 -73.1 -1.7 102.9 -18.1 10.9 614 129 B R H <> S+ 0 0 3 -3,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.881 92.4 49.1 -63.2 -35.4 99.7 -17.4 9.0 615 130 B Y H <> S+ 0 0 3 -3,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.960 113.1 44.9 -67.9 -48.1 99.7 -21.1 8.0 616 131 B L H X S+ 0 0 0 -4,-0.7 4,-1.6 1,-0.2 -2,-0.2 0.934 114.1 49.5 -59.8 -45.6 100.3 -22.4 11.5 617 132 B F H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.899 110.9 49.5 -63.8 -38.8 97.8 -20.1 13.0 618 133 B H H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.879 105.6 56.6 -67.9 -38.9 95.1 -21.1 10.4 619 134 B A H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.869 106.8 50.7 -59.4 -36.7 95.8 -24.7 11.0 620 135 B L H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.925 107.0 53.3 -65.0 -47.4 95.0 -24.0 14.7 621 136 B Q H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.964 111.8 45.8 -46.0 -54.4 91.8 -22.3 13.7 622 137 B M H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.947 113.2 50.7 -55.3 -52.6 90.9 -25.5 11.7 623 138 B G H X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.885 111.8 45.5 -47.5 -47.6 91.9 -27.6 14.7 624 139 B S H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.877 110.1 54.1 -79.7 -29.2 89.8 -25.8 17.2 625 140 B V H X S+ 0 0 1 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.811 103.9 56.2 -72.5 -27.3 86.8 -25.7 14.9 626 141 B Y H >< S+ 0 0 7 -4,-1.9 3,-0.6 -5,-0.2 5,-0.2 0.958 105.6 51.9 -66.4 -42.8 87.0 -29.4 14.5 627 142 B I H >X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 3,-1.9 0.949 103.9 59.2 -55.0 -46.6 86.8 -29.7 18.4 628 143 B H H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.873 105.8 47.6 -44.1 -44.5 83.7 -27.5 18.2 629 144 B Q T << S+ 0 0 4 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.189 120.2 31.6 -96.1 14.2 81.8 -30.0 16.0 630 145 B I T <4 S+ 0 0 1 -3,-1.9 -1,-0.2 -4,-0.2 70,-0.2 0.443 81.7 118.8-145.1 -21.0 82.5 -33.2 17.8 631 146 B A < - 0 0 1 -4,-2.3 -84,-0.1 -5,-0.2 6,-0.0 -0.196 67.0-127.0 -50.4 150.0 82.7 -32.3 21.5 632 147 B P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -74,-0.2 0.249 83.3 43.8 -94.0 13.6 80.0 -34.0 23.5 633 148 B A S > S- 0 0 0 -76,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.989 74.3-126.4-153.3 146.9 78.5 -31.0 25.2 634 149 B S H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.836 111.4 54.2 -63.9 -29.2 77.5 -27.5 24.2 635 150 B T H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.880 110.6 46.2 -74.5 -34.3 79.5 -25.9 27.0 636 151 B I H >> S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 3,-0.6 0.972 112.9 51.0 -62.8 -51.4 82.6 -27.8 25.8 637 152 B T H 3X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.881 105.5 56.9 -51.8 -45.9 81.8 -26.7 22.2 638 153 B N H 3X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.852 101.7 53.3 -58.5 -39.3 81.4 -23.1 23.1 639 154 B C H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.2 3,-0.9 0.984 113.9 43.5 -55.5 -59.1 97.9 -11.1 7.5 656 171 B Y H 3X S+ 0 0 4 -4,-2.9 4,-1.5 1,-0.3 3,-0.4 0.901 113.2 49.8 -56.0 -52.2 97.7 -7.3 8.1 657 172 B R H 3X S+ 0 0 2 -4,-3.5 4,-1.8 -5,-0.3 -1,-0.3 0.781 103.6 62.1 -58.8 -25.6 101.2 -6.9 9.4 658 173 B T H < + 0 0 36 -4,-1.8 3,-1.6 -5,-0.1 5,-0.4 -0.593 66.3 170.3-145.2 69.0 110.3 -3.7 2.1 666 181 B P T 3 S+ 0 0 103 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.614 73.0 59.2 -62.8 -22.0 109.1 -4.7 -1.3 667 182 B D T 3 S+ 0 0 113 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.543 88.3 74.7 -90.5 -4.4 112.1 -6.8 -2.4 668 183 B V S < S- 0 0 22 -3,-1.6 -1,-0.2 -7,-0.2 5,-0.1 0.703 96.3-131.6 -78.3 -19.9 111.8 -9.3 0.6 669 184 B G >> + 0 0 6 -3,-0.5 3,-2.6 -4,-0.3 4,-2.4 0.629 38.5 174.6 70.4 15.2 108.8 -11.0 -1.0 670 185 B F T 34 S+ 0 0 5 -5,-0.4 -1,-0.2 1,-0.3 -2,-0.1 -0.326 71.2 25.8 -40.6 130.0 106.7 -10.9 2.2 671 186 B G T 34 S+ 0 0 13 -64,-0.1 -1,-0.3 -660,-0.0 -12,-0.1 0.259 124.8 55.2 85.4 -10.6 103.3 -12.2 1.4 672 187 B K T <4 S+ 0 0 161 -3,-2.6 4,-0.3 -4,-0.0 3,-0.3 0.661 103.9 47.3-115.7 -37.8 104.7 -14.3 -1.5 673 188 B R S >X S+ 0 0 142 -4,-2.4 4,-1.9 1,-0.2 3,-0.5 0.699 85.4 89.0 -80.1 -22.6 107.4 -16.4 0.1 674 189 B E H 3> S+ 0 0 1 -5,-0.3 4,-3.7 1,-0.2 5,-0.2 0.812 83.1 54.0 -57.0 -41.8 105.5 -17.6 3.2 675 190 B R H 3> S+ 0 0 67 -3,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.930 111.8 44.7 -56.3 -48.6 104.0 -20.8 1.7 676 191 B D H <> S+ 0 0 101 -3,-0.5 4,-2.6 -4,-0.3 5,-0.2 0.861 114.2 49.3 -69.2 -31.7 107.5 -22.1 0.5 677 192 B V H X S+ 0 0 28 -4,-1.9 4,-2.1 2,-0.2 7,-0.3 0.969 112.8 48.8 -65.7 -49.8 109.0 -21.2 3.9 678 193 B W H < S+ 0 0 0 -4,-3.7 -2,-0.2 -5,-0.2 -3,-0.2 0.945 120.5 36.7 -52.0 -50.5 106.1 -23.0 5.6 679 194 B E H < S+ 0 0 28 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.869 129.3 25.6 -74.7 -33.3 106.6 -26.1 3.3 680 195 B N H < S+ 0 0 111 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.489 87.1 105.6-118.8 0.4 110.4 -26.3 2.9 681 196 B D >X - 0 0 24 -4,-2.1 3,-2.8 -5,-0.2 4,-1.3 -0.682 59.7-143.8 -93.4 120.2 112.1 -24.7 5.9 682 197 B P H >> S+ 0 0 92 0, 0.0 3,-1.1 0, 0.0 4,-0.8 0.880 101.6 61.6 -43.4 -43.1 113.7 -27.0 8.4 683 198 B A H 34 S+ 0 0 1 1,-0.3 4,-0.4 2,-0.1 108,-0.1 0.756 111.0 38.8 -56.4 -25.8 112.7 -24.5 11.1 684 199 B W H <> S+ 0 0 0 -3,-2.8 4,-2.8 -7,-0.3 -1,-0.3 0.648 94.8 80.3 -95.1 -17.5 109.0 -25.1 10.3 685 200 B Q H S+ 0 0 0 97,-0.4 4,-2.7 -4,-0.4 -2,-0.2 0.870 113.5 54.4 -63.1 -37.7 105.6 -27.7 13.6 688 203 B R H X S+ 0 0 7 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.883 108.4 47.0 -71.0 -38.7 104.1 -28.6 10.3 689 204 B E H X S+ 0 0 28 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.956 112.5 51.3 -64.7 -50.5 104.3 -32.4 10.8 690 205 B L H X S+ 0 0 0 -4,-1.8 4,-3.4 -5,-0.3 -2,-0.2 0.948 115.6 40.6 -48.0 -56.0 102.9 -32.1 14.3 691 206 B I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.848 112.9 52.3 -74.7 -35.9 99.9 -30.0 13.1 692 207 B E H < S+ 0 0 0 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.989 116.4 41.8 -56.0 -53.7 99.2 -32.0 9.9 693 208 B K H >< S+ 0 0 74 -4,-3.0 3,-1.7 1,-0.2 4,-0.2 0.912 111.8 55.2 -64.1 -43.9 99.1 -35.2 12.0 694 209 B A H >< S+ 0 0 2 -4,-3.4 3,-2.1 -5,-0.3 -1,-0.2 0.902 98.8 63.3 -51.1 -42.9 97.2 -33.5 14.8 695 210 B L T 3< S+ 0 0 9 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.534 99.6 52.9 -69.6 -5.5 94.5 -32.5 12.3 696 211 B I T < S+ 0 0 45 -3,-1.7 2,-1.1 -4,-0.3 -1,-0.3 0.318 75.2 107.6-109.2 10.2 93.5 -36.1 11.5 697 212 B A < + 0 0 10 -3,-2.1 6,-0.1 -4,-0.2 9,-0.0 -0.740 45.9 177.2 -78.1 99.7 93.0 -37.2 15.1 698 213 B W + 0 0 32 -2,-1.1 -1,-0.2 4,-0.1 -152,-0.1 0.805 42.8 102.4 -83.9 -30.2 89.2 -37.4 14.9 699 214 B D S > S- 0 0 18 1,-0.1 4,-3.2 -3,-0.1 5,-0.2 -0.286 74.3-133.3 -51.5 133.1 88.4 -38.7 18.4 700 215 B W H > S+ 0 0 2 -154,-2.5 4,-3.1 1,-0.2 5,-0.2 0.919 103.2 46.9 -63.7 -40.3 87.2 -35.8 20.3 701 216 B G H > S+ 0 0 0 -155,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 115.3 47.0 -66.7 -37.0 89.3 -36.5 23.4 702 217 B E H > S+ 0 0 25 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.937 111.3 49.5 -74.2 -43.4 92.3 -37.0 21.3 703 218 B A H X>S+ 0 0 3 -4,-3.2 4,-2.7 1,-0.2 5,-0.5 0.967 110.9 52.0 -55.7 -51.4 91.7 -33.9 19.2 704 219 B F H X>S+ 0 0 2 -4,-3.1 4,-2.1 -5,-0.2 5,-0.9 0.914 117.3 38.5 -47.6 -46.1 91.3 -31.9 22.5 705 220 B T H X>S+ 0 0 0 -4,-2.0 5,-2.3 3,-0.2 4,-1.4 0.965 116.6 47.8 -75.4 -51.2 94.6 -33.2 23.8 706 221 B A H <>S+ 0 0 0 -4,-3.3 5,-3.1 3,-0.2 -2,-0.2 0.902 125.7 30.9 -54.4 -46.9 96.6 -33.2 20.6 707 222 B I H <>S+ 0 0 3 -4,-2.7 5,-2.8 -5,-0.3 -2,-0.2 0.967 131.8 25.4 -80.5 -61.8 95.5 -29.6 19.9 708 223 B N H <> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -1,-0.3 0.919 112.8 49.8 -60.3 -31.0 101.3 -24.6 24.3 714 229 B A H S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.7 0.862 117.2 51.7 -55.7 -39.6 103.1 -23.0 19.3 716 231 B E H X>S+ 0 0 4 -4,-3.1 5,-1.9 -5,-0.3 4,-1.5 0.943 112.8 40.0 -68.8 -50.6 102.4 -20.5 22.1 717 232 B E H <>S+ 0 0 11 -4,-3.1 5,-2.7 -5,-0.3 -1,-0.2 0.855 123.7 41.7 -69.4 -31.6 105.8 -20.7 23.9 718 233 B A H <>S+ 0 0 0 -4,-2.1 5,-1.8 -5,-0.3 -2,-0.2 0.967 125.1 28.4 -81.9 -56.3 107.7 -20.8 20.6 719 234 B L H <5S+ 0 0 8 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.763 135.1 26.4 -78.7 -26.8 106.0 -18.3 18.3 720 235 B L T XS+ 0 0 0 -4,-3.4 5,-3.0 1,-0.2 -2,-0.2 0.901 112.4 42.8 -44.1 -48.9 111.4 -9.0 19.0 728 243 B Q H ><5S+ 0 0 140 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.934 112.2 48.9 -73.5 -48.6 111.8 -6.6 21.9 729 244 B S H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.697 114.9 51.6 -63.7 -13.6 115.4 -7.2 22.6 730 245 B E T 3<5S- 0 0 84 -4,-1.6 -131,-0.4 -5,-0.2 -1,-0.3 0.303 123.0-100.5-108.1 10.5 115.9 -6.7 18.9 731 246 B G T < 5S+ 0 0 47 -3,-1.9 2,-1.5 1,-0.2 3,-0.2 0.346 85.5 122.9 91.3 -6.6 114.0 -3.3 18.5 732 247 B D >< + 0 0 1 -5,-3.0 4,-1.6 -6,-0.3 -1,-0.2 -0.671 27.2 163.0 -87.1 85.2 110.7 -4.8 17.1 733 248 B T H > + 0 0 58 -2,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.849 66.1 61.7 -80.4 -29.5 108.6 -3.3 19.8 734 249 B L H > S+ 0 0 2 -3,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.951 108.8 41.8 -57.2 -51.7 105.3 -3.7 17.8 735 250 B L H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.852 108.2 58.9 -67.4 -36.4 105.8 -7.5 17.7 736 251 B G H X S+ 0 0 11 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.893 116.8 37.3 -57.0 -36.8 106.9 -7.7 21.4 737 252 B L H X S+ 0 0 59 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.926 112.5 55.5 -80.8 -46.6 103.5 -6.1 22.1 738 253 B L H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.926 110.7 47.6 -45.3 -53.0 101.5 -7.9 19.5 739 254 B A H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.880 108.1 52.2 -62.1 -42.8 102.6 -11.3 20.9 740 255 B Q H X S+ 0 0 138 -4,-1.0 4,-0.7 -5,-0.3 -1,-0.2 0.918 108.8 53.2 -63.7 -37.4 101.9 -10.4 24.5 741 256 B A H >X S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 4,-0.7 0.964 108.9 47.3 -61.1 -53.6 98.4 -9.4 23.4 742 257 B Q H >X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.3 3,-0.7 0.830 101.4 66.5 -59.6 -28.8 97.7 -12.7 21.7 743 258 B K H 3X S+ 0 0 21 -4,-2.0 4,-2.4 1,-0.3 -1,-0.3 0.733 90.6 63.6 -67.2 -21.3 99.1 -14.6 24.8 744 259 B R H < S+ 0 0 15 -4,-2.2 3,-1.5 1,-0.2 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