==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-MAY-10 3N1X . COMPND 2 MOLECULE: TOLUENE O-XYLENE MONOOXYGENASE COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR M.H.SAZINSKY,M.S.MCCORMICK,S.J.LIPPARD . 900 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 74.6 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 . 28 3.1 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 . 24 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 424 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 4.8 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 1 3 4 2 5 3 3 0 3 1 0 0 0 1 1 0 0 2 0 2 0 1 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 . 5 0 1 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 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 67 0, 0.0 2,-0.4 0, 0.0 590,-0.2 0.000 360.0 360.0 360.0 167.2 -53.5 -82.4 12.9 2 3 A M - 0 0 83 589,-0.1 586,-0.0 1,-0.0 582,-0.0 -0.872 360.0-116.9-123.3 138.4 -49.8 -82.1 13.8 3 4 A L - 0 0 34 -2,-0.4 2,-0.4 1,-0.1 -1,-0.0 -0.277 33.6-105.4 -62.2 163.1 -48.0 -83.1 17.0 4 5 A K >> - 0 0 119 1,-0.1 3,-1.7 -2,-0.0 4,-0.6 -0.757 28.8-119.2 -91.5 142.1 -46.2 -80.6 19.2 5 6 A R H >> S+ 0 0 95 -2,-0.4 4,-1.8 1,-0.3 3,-1.6 0.873 110.2 56.6 -47.5 -45.9 -42.5 -80.6 18.9 6 7 A E H 34 S+ 0 0 143 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.708 96.7 66.5 -65.9 -24.0 -41.9 -81.5 22.6 7 8 A D H <4 S+ 0 0 69 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.740 120.4 13.1 -68.4 -24.6 -44.1 -84.6 22.4 8 9 A W H XX S+ 0 0 12 -3,-1.6 3,-0.9 -4,-0.6 4,-0.7 0.437 94.1 102.5-130.9 -5.7 -41.8 -86.5 20.0 9 10 A Y G >< S+ 0 0 8 -4,-1.8 3,-2.7 1,-0.2 4,-0.5 0.939 77.9 59.5 -50.7 -53.2 -38.5 -84.6 20.0 10 11 A D G >4 S+ 0 0 94 -4,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.771 95.2 62.5 -43.6 -42.1 -36.8 -87.1 22.4 11 12 A L G X4 S+ 0 0 11 -3,-0.9 3,-1.2 1,-0.2 -1,-0.3 0.779 91.2 67.2 -55.0 -27.1 -37.3 -89.9 19.9 12 13 A T G << S+ 0 0 7 -3,-2.7 -1,-0.2 -4,-0.7 -2,-0.2 0.804 111.3 34.4 -66.8 -24.2 -35.1 -88.1 17.3 13 14 A R G < S+ 0 0 38 -3,-1.1 2,-0.8 -4,-0.5 3,-0.3 -0.148 84.9 103.7-120.2 32.6 -32.1 -88.6 19.7 14 15 A T < + 0 0 57 -3,-1.2 -1,-0.1 1,-0.2 -3,-0.0 -0.706 50.0 117.8-112.1 73.1 -32.9 -92.1 21.2 15 16 A T + 0 0 0 -2,-0.8 2,-0.2 604,-0.1 -1,-0.2 0.335 30.2 110.6-127.4 -6.5 -30.4 -93.6 18.9 16 17 A N + 0 0 7 -3,-0.3 2,-0.3 24,-0.0 102,-0.0 -0.536 38.7 168.0 -70.1 146.7 -27.7 -95.1 21.1 17 18 A W - 0 0 10 -2,-0.2 -2,-0.0 599,-0.0 660,-0.0 -0.907 41.1-100.4-148.0 171.1 -27.5 -99.0 21.2 18 19 A T - 0 0 77 -2,-0.3 5,-0.0 2,-0.0 -2,-0.0 -0.902 40.9-134.2-104.9 105.9 -25.0 -101.6 22.5 19 20 A P + 0 0 18 0, 0.0 5,-0.2 0, 0.0 671,-0.1 -0.181 29.8 171.0 -62.6 158.5 -22.9 -102.9 19.6 20 21 A K S S+ 0 0 139 3,-0.1 670,-0.1 669,-0.1 3,-0.0 0.572 70.2 53.6-139.5 -41.5 -22.4 -106.6 19.3 21 22 A Y S S+ 0 0 53 668,-0.1 2,-0.3 2,-0.1 669,-0.0 0.556 124.6 18.9 -89.8 -9.4 -20.6 -107.4 16.0 22 23 A V S S- 0 0 9 0, 0.0 2,-0.1 0, 0.0 672,-0.1 -0.890 96.6-100.5-143.2 167.8 -17.8 -104.9 16.8 23 24 A T > - 0 0 80 -2,-0.3 4,-2.0 1,-0.1 5,-0.3 -0.458 29.3-107.9 -94.3 165.0 -16.9 -103.5 20.3 24 25 A E H > S+ 0 0 68 1,-0.2 4,-3.1 -5,-0.2 3,-0.5 0.954 120.1 50.4 -51.3 -50.4 -17.8 -100.1 21.7 25 26 A N H 4 S+ 0 0 120 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.767 109.1 52.8 -62.7 -27.8 -14.0 -98.9 21.3 26 27 A E H 4 S+ 0 0 90 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.903 114.1 40.0 -72.4 -34.4 -14.0 -100.0 17.8 27 28 A L H < S+ 0 0 2 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.832 128.3 33.5 -89.1 -31.9 -17.1 -98.1 16.8 28 29 A F S < S- 0 0 6 -4,-3.1 -1,-0.3 -5,-0.3 7,-0.2 -0.636 83.3-159.7-119.1 69.3 -16.1 -95.1 18.9 29 30 A P >> - 0 0 17 0, 0.0 3,-3.3 0, 0.0 4,-1.6 -0.306 20.0-131.5 -53.1 122.1 -12.2 -94.9 18.7 30 31 A E H 3> S+ 0 0 88 1,-0.3 4,-2.5 2,-0.2 6,-0.1 0.792 106.3 61.2 -43.8 -40.0 -11.1 -92.7 21.7 31 32 A E H 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.2 509,-0.1 0.711 115.1 33.5 -66.7 -20.2 -8.9 -90.7 19.4 32 33 A M H <4 S+ 0 0 0 -3,-3.3 152,-2.3 151,-0.2 -2,-0.2 0.761 129.2 32.3-101.6 -23.2 -12.0 -89.6 17.5 33 34 A S H < S- 0 0 1 -4,-1.6 152,-1.0 150,-0.3 85,-0.3 0.741 75.3-154.2-104.3 -37.8 -14.6 -89.5 20.3 34 35 A G < + 0 0 0 -4,-2.5 -4,-0.1 -5,-0.3 -3,-0.1 0.858 31.5 159.4 62.6 37.4 -12.9 -88.5 23.4 35 36 A A > - 0 0 2 -7,-0.2 3,-1.7 1,-0.1 -1,-0.1 0.773 35.6-151.7 -67.4 -20.3 -15.4 -90.2 25.5 36 37 A R T 3 - 0 0 45 1,-0.3 3,-0.1 -6,-0.1 -1,-0.1 0.791 59.8 -57.8 63.2 34.9 -12.7 -90.1 28.3 37 38 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.538 103.9 130.2 70.7 5.5 -13.8 -93.3 30.2 38 39 A I < - 0 0 11 -3,-1.7 -1,-0.3 1,-0.1 206,-0.0 -0.806 62.0-113.2 -89.1 137.5 -17.2 -91.7 30.8 39 40 A S > - 0 0 67 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.247 13.0-113.5 -77.9 154.0 -19.9 -94.3 29.9 40 41 A M H > S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.931 120.1 56.2 -41.3 -49.6 -22.4 -94.2 27.0 41 42 A E H 4 S+ 0 0 156 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.930 108.0 45.6 -53.5 -42.6 -25.1 -94.0 29.8 42 43 A A H >4 S+ 0 0 20 1,-0.2 3,-1.4 -3,-0.2 -1,-0.2 0.863 107.0 57.5 -75.6 -35.8 -23.5 -90.8 31.3 43 44 A W H >< S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.793 94.7 71.2 -63.0 -26.4 -23.0 -89.1 27.8 44 45 A E T 3< S+ 0 0 76 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.549 77.7 73.5 -68.6 -7.1 -26.8 -89.5 27.4 45 46 A K T < S+ 0 0 163 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 0.639 70.5 124.0 -76.2 -6.9 -27.6 -86.8 30.0 46 47 A Y < - 0 0 9 -3,-1.4 2,-0.4 -4,-0.2 75,-0.3 -0.354 39.9-179.2 -56.7 121.0 -26.4 -84.5 27.3 47 48 A D - 0 0 81 -2,-0.1 -1,-0.1 74,-0.1 -2,-0.0 -0.827 19.5-146.6-132.5 98.6 -29.2 -82.0 26.7 48 49 A E - 0 0 1 -2,-0.4 188,-0.1 1,-0.1 3,-0.0 -0.213 9.9-146.7 -59.6 132.9 -28.9 -79.2 24.0 49 50 A P S S+ 0 0 73 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.847 83.9 55.9 -77.9 -23.7 -30.7 -76.2 25.2 50 51 A Y S S- 0 0 143 181,-0.2 2,-0.3 182,-0.1 185,-0.1 -0.926 76.4-164.1-103.6 117.4 -31.9 -75.0 21.7 51 52 A K + 0 0 60 -2,-0.5 2,-0.3 -3,-0.0 181,-0.0 -0.677 16.0 163.5-103.4 148.1 -33.8 -77.7 19.8 52 53 A I - 0 0 19 -2,-0.3 2,-0.3 180,-0.1 76,-0.1 -0.985 19.5-147.8-155.7 151.5 -34.7 -77.9 16.1 53 54 A T > - 0 0 5 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.826 36.7 -95.4-120.4 164.6 -36.0 -80.7 13.8 54 55 A Y H > S+ 0 0 4 -2,-0.3 4,-2.1 1,-0.2 5,-0.3 0.885 118.9 46.5 -49.4 -51.6 -35.3 -81.3 10.2 55 56 A P H > S+ 0 0 20 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.865 112.5 50.4 -66.4 -34.6 -38.5 -79.7 8.8 56 57 A E H > S+ 0 0 65 -3,-0.3 4,-2.4 2,-0.2 5,-0.4 0.915 111.6 50.7 -60.2 -41.4 -38.1 -76.6 10.9 57 58 A Y H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.969 111.6 43.2 -63.9 -52.5 -34.5 -76.3 9.7 58 59 A V H X S+ 0 0 1 -4,-2.1 4,-1.3 1,-0.2 519,-0.2 0.851 117.7 48.6 -71.8 -26.4 -35.0 -76.6 5.9 59 60 A S H X S+ 0 0 51 -4,-1.5 4,-1.6 -5,-0.3 3,-0.3 0.982 114.8 39.7 -76.8 -56.9 -38.0 -74.2 6.1 60 61 A I H X S+ 0 0 79 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.882 119.3 50.1 -56.8 -37.1 -36.4 -71.4 8.3 61 62 A Q H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.4 -1,-0.2 0.824 103.4 56.0 -77.5 -28.1 -33.1 -71.7 6.3 62 63 A R H X S+ 0 0 79 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.837 110.0 49.8 -61.5 -37.7 -34.8 -71.6 2.9 63 64 A E H X S+ 0 0 122 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.955 107.0 52.6 -70.9 -42.0 -36.2 -68.2 4.1 64 65 A K H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.920 112.8 45.0 -60.5 -47.3 -32.8 -66.9 5.3 65 66 A D H X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.912 107.8 56.6 -61.6 -39.5 -31.2 -67.6 1.9 66 67 A S H X S+ 0 0 46 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.909 112.9 43.2 -57.9 -44.0 -34.1 -66.2 -0.1 67 68 A G H X S+ 0 0 32 -4,-1.9 4,-2.6 2,-0.2 3,-0.3 0.955 115.8 44.1 -62.5 -63.1 -33.6 -62.9 1.8 68 69 A A H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.878 116.0 47.9 -54.5 -44.4 -29.8 -62.6 1.7 69 70 A Y H X S+ 0 0 31 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.843 112.1 49.6 -74.8 -25.4 -29.6 -63.7 -2.0 70 71 A S H X S+ 0 0 76 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.855 109.0 51.7 -77.9 -38.7 -32.4 -61.2 -3.0 71 72 A I H X S+ 0 0 63 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.951 110.6 50.1 -58.9 -47.7 -30.7 -58.3 -1.1 72 73 A K H X S+ 0 0 19 -4,-2.2 4,-0.9 -5,-0.2 3,-0.4 0.926 111.8 45.7 -56.2 -46.6 -27.6 -59.1 -2.9 73 74 A A H < S+ 0 0 73 -4,-1.7 4,-0.5 1,-0.2 3,-0.4 0.892 111.7 53.0 -68.3 -35.8 -29.2 -59.2 -6.4 74 75 A A H < S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 115.3 39.1 -66.4 -32.6 -31.1 -56.0 -5.8 75 76 A L H ><>S+ 0 0 52 -4,-1.5 5,-0.5 -3,-0.4 3,-0.5 0.457 90.6 94.5 -99.2 -4.7 -27.9 -54.0 -4.8 76 77 A E G ><5S+ 0 0 85 -4,-0.9 3,-1.6 -3,-0.4 -2,-0.1 0.936 80.6 47.5 -61.2 -54.2 -25.6 -55.4 -7.3 77 78 A R G 3 5S+ 0 0 258 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.769 100.8 71.6 -54.6 -21.7 -25.8 -52.9 -10.2 78 79 A D G < 5S- 0 0 90 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.2 0.707 87.9-151.5 -72.7 -18.9 -25.3 -50.1 -7.6 79 80 A G T X 5 + 0 0 8 -3,-1.6 3,-0.9 -4,-0.5 4,-0.4 0.794 25.8 172.1 51.7 42.0 -21.7 -51.0 -7.1 80 81 A F G >>4 S+ 0 0 21 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.932 89.7 61.2 -57.2 -49.6 -18.0 -51.5 -3.6 82 83 A D G <4 S+ 0 0 111 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.481 118.3 29.9 -53.3 -5.5 -16.4 -49.1 -6.3 83 84 A R G <4 S+ 0 0 149 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.307 88.9 119.6-143.1 6.4 -17.0 -46.1 -3.9 84 85 A A S << S- 0 0 13 -3,-1.2 131,-0.1 -4,-0.8 130,-0.0 -0.401 81.6 -81.9 -59.3 151.6 -16.7 -47.6 -0.4 85 86 A D > - 0 0 57 129,-0.2 4,-1.9 1,-0.1 3,-0.5 -0.298 41.7-127.1 -45.6 132.5 -14.1 -46.3 2.0 86 87 A P H > S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 258,-0.2 0.876 109.5 59.2 -69.5 -26.5 -10.9 -48.2 1.0 87 88 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 193,-0.1 0.880 105.6 49.6 -58.1 -40.9 -10.4 -49.3 4.7 88 89 A W H > S+ 0 0 9 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.968 109.8 50.9 -55.1 -55.3 -13.9 -51.0 4.5 89 90 A V H X S+ 0 0 27 -4,-1.9 4,-2.8 1,-0.3 -2,-0.2 0.887 110.5 49.5 -48.9 -48.1 -13.0 -52.8 1.2 90 91 A S H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 -1,-0.3 0.925 105.5 55.9 -56.6 -51.3 -9.9 -53.9 2.8 91 92 A T H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.903 111.5 46.7 -49.7 -40.7 -11.9 -55.2 5.9 92 93 A M H X S+ 0 0 7 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.973 109.8 50.4 -69.4 -48.1 -13.9 -57.3 3.4 93 94 A Q H X S+ 0 0 12 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.894 113.3 47.4 -55.3 -40.1 -10.9 -58.6 1.4 94 95 A L H X S+ 0 0 6 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.960 112.3 48.8 -68.0 -44.0 -9.3 -59.7 4.7 95 96 A H H X S+ 0 0 13 -4,-2.2 4,-1.7 -5,-0.2 5,-0.4 0.942 111.9 47.9 -62.9 -52.6 -12.5 -61.4 6.1 96 97 A F H X S+ 0 0 7 -4,-2.8 4,-1.6 1,-0.2 5,-0.3 0.885 115.4 43.8 -54.8 -42.5 -13.2 -63.4 2.9 97 98 A G H < S+ 0 0 2 -4,-1.9 64,-0.3 -5,-0.3 4,-0.3 0.921 117.2 44.4 -74.5 -40.8 -9.7 -64.7 2.5 98 99 A A H < S+ 0 0 7 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.755 128.4 20.3 -72.9 -22.4 -9.2 -65.6 6.2 99 100 A I H X S+ 0 0 22 -4,-1.7 4,-3.3 -5,-0.2 5,-0.2 0.723 92.7 84.1-125.3 -31.1 -12.5 -67.3 6.8 100 101 A A H X S+ 0 0 1 -4,-1.6 4,-1.5 -5,-0.4 40,-0.1 0.908 105.7 35.0 -51.2 -51.5 -14.5 -68.5 3.8 101 102 A L H > S+ 0 0 2 -5,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.718 114.2 55.9 -76.6 -23.6 -12.6 -71.9 3.6 102 103 A E H > S+ 0 0 2 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.814 104.6 54.7 -76.6 -29.8 -12.2 -72.2 7.3 103 104 A E H X S+ 0 0 21 -4,-3.3 4,-0.6 2,-0.2 34,-0.2 0.978 111.8 46.0 -61.5 -45.7 -16.1 -71.9 7.5 104 105 A Y H >< S+ 0 0 3 -4,-1.5 3,-1.2 1,-0.3 4,-0.4 0.874 108.7 53.6 -65.4 -42.9 -16.2 -74.8 5.1 105 106 A A H >X S+ 0 0 6 -4,-2.1 3,-2.4 1,-0.2 4,-1.7 0.896 96.6 67.7 -58.1 -38.6 -13.6 -76.7 7.0 106 107 A A H 3X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.782 87.0 68.9 -58.8 -18.4 -15.8 -76.3 10.1 107 108 A S H S+ 0 0 6 -3,-2.4 4,-3.1 -4,-0.4 -2,-0.2 0.866 108.3 54.6 -84.5 -39.3 -15.9 -81.5 8.9 109 110 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.917 112.1 45.6 -59.7 -30.4 -15.2 -80.4 12.4 110 111 A E H >X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 3,-0.6 0.977 109.5 54.2 -78.6 -46.1 -19.1 -80.7 12.8 111 112 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.821 99.9 62.4 -48.8 -43.1 -19.1 -84.1 11.0 112 113 A R H 3X S+ 0 0 1 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.959 110.8 38.3 -47.1 -50.6 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A K H X S+ 0 0 9 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.960 111.4 46.2 -58.6 -44.8 -4.5 -64.2 19.5 267 268 A L H >X S+ 0 0 15 -4,-1.9 4,-2.5 1,-0.2 3,-1.0 0.921 113.2 50.5 -60.3 -40.3 -6.2 -64.7 16.2 268 269 A F H 3X>S+ 0 0 8 -4,-2.8 4,-3.0 1,-0.3 5,-1.6 0.864 101.4 62.4 -69.1 -35.1 -8.8 -62.1 17.0 269 270 A S H 3<5S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.2 61,-0.2 0.666 114.0 33.6 -66.1 -20.0 -6.1 -59.5 18.0 270 271 A V H <<5S+ 0 0 10 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.759 125.1 41.0-101.9 -31.7 -4.7 -59.5 14.4 271 272 A L H <5S+ 0 0 27 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.817 132.0 14.4 -87.7 -28.6 -7.9 -60.0 12.5 272 273 A T T >X5S+ 0 0 16 -4,-3.0 4,-2.2 -5,-0.2 3,-0.6 0.857 113.5 63.5-112.5 -55.7 -10.3 -57.8 14.4 273 274 A G H 3>>S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 5,-0.9 0.905 111.1 52.1 -63.3 -33.0 -6.7 -53.6 13.8 275 276 A I H <>>S+ 0 0 17 -3,-0.6 5,-2.0 3,-0.2 4,-1.1 0.941 109.9 45.3 -68.0 -49.2 -9.9 -53.2 12.0 276 277 A M H <5S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 4,-0.1 0.930 120.8 37.1 -57.3 -45.7 -11.9 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-12.7 -49.1 20.9 289 290 A F H > S+ 0 0 0 -16,-0.2 4,-2.2 2,-0.2 5,-0.1 0.879 123.2 49.6 -52.7 -42.4 -11.5 -52.7 20.4 290 291 A K H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.947 111.1 48.7 -65.1 -44.9 -10.7 -52.8 24.2 291 292 A E H >> S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.976 112.7 48.5 -55.2 -53.8 -14.1 -51.4 25.1 292 293 A F H 3X S+ 0 0 11 -4,-3.2 4,-2.0 1,-0.3 5,-0.3 0.817 110.9 51.2 -52.3 -43.0 -15.8 -54.0 22.8 293 294 A M H 3X>S+ 0 0 0 -4,-2.2 5,-3.1 -5,-0.2 4,-1.3 0.863 112.4 44.9 -62.4 -41.2 -13.7 -56.7 24.4 294 295 A L H <<>S+ 0 0 73 -4,-2.2 5,-1.0 -3,-0.6 -2,-0.2 0.950 121.5 36.0 -73.9 -46.4 -14.7 -55.8 27.9 295 296 A E H <5S+ 0 0 104 -4,-2.9 5,-0.2 -5,-0.2 -3,-0.2 0.959 129.3 26.9 -72.3 -49.5 -18.3 -55.3 27.4 296 297 A W H <5S+ 0 0 99 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.569 130.7 17.5-100.4 -5.1 -19.1 -58.0 24.8 297 298 A I T X5S+ 0 0 1 -4,-1.3 4,-1.8 -5,-0.3 -3,-0.2 0.706 114.8 51.5-129.8 -51.2 -16.7 -60.8 25.2 298 299 A V H > S+ 0 0 66 1,-0.2 4,-3.2 -5,-0.2 5,-0.2 0.914 105.0 53.3 -58.3 -42.2 -19.7 -63.2 29.0 301 302 A F H X S+ 0 0 4 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.915 109.1 45.9 -55.7 -47.0 -16.8 -65.5 29.5 302 303 A E H X S+ 0 0 56 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.959 114.6 49.4 -66.6 -42.5 -16.8 -65.0 33.4 303 304 A R H X S+ 0 0 187 -4,-2.7 4,-2.5 1,-0.2 3,-0.3 0.965 115.7 42.3 -54.9 -57.0 -20.6 -65.5 33.4 304 305 A Q H X S+ 0 0 65 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.849 115.5 49.4 -54.3 -44.4 -20.3 -68.7 31.3 305 306 A L H X>S+ 0 0 2 -4,-2.9 5,-2.3 -5,-0.2 4,-0.5 0.807 110.8 48.7 -73.4 -31.2 -17.4 -70.0 33.2 306 307 A L H ><5S+ 0 0 140 -4,-2.5 3,-0.9 -3,-0.3 -2,-0.2 0.905 111.8 50.6 -71.0 -42.9 -19.0 -69.4 36.6 307 308 A D H 3<5S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.783 109.2 51.2 -66.5 -31.4 -22.2 -71.1 35.5 308 309 A L H 3<5S- 0 0 15 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.654 115.2-114.4 -78.5 -15.5 -20.3 -74.1 34.2 309 310 A G T <<5S+ 0 0 45 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.2 0.593 75.7 127.2 89.8 12.0 -18.4 -74.5 37.6 310 311 A L < - 0 0 10 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.499 55.0-118.5 -95.7 169.3 -15.1 -73.7 35.9 311 312 A D - 0 0 96 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.0 -0.698 32.8 -91.7-101.1 158.5 -12.5 -71.0 36.9 312 313 A K - 0 0 121 -2,-0.2 -1,-0.1 1,-0.1 -54,-0.0 -0.469 59.5 -97.1 -54.8 136.1 -11.1 -68.0 35.2 313 314 A P > - 0 0 3 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.332 30.7-113.4 -59.2 142.3 -8.0 -69.1 33.2 314 315 A W T 3 S+ 0 0 126 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.732 115.6 58.4 -45.9 -25.0 -4.6 -68.5 35.1 315 316 A Y T 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.489 72.2 109.6 -94.8 5.9 -3.7 -66.0 32.3 316 317 A W H <> S+ 0 0 7 -3,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.801 75.2 47.8 -46.9 -47.8 -6.8 -63.7 32.8 317 318 A D H > S+ 0 0 119 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.960 113.3 48.1 -66.7 -45.3 -5.0 -60.6 34.4 318 319 A Q H > S+ 0 0 74 -4,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 110.3 53.8 -51.6 -45.0 -2.3 -60.6 31.7 319 320 A F H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.944 106.5 51.2 -63.1 -48.7 -5.1 -60.9 29.1 320 321 A M H >< S+ 0 0 57 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X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.903 112.3 50.1 -68.9 -38.6 -0.4 -56.6 15.2 331 332 A H H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.939 111.5 48.0 -63.4 -47.8 -1.7 -53.5 13.3 332 333 A L H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.944 113.3 47.9 -59.6 -44.9 1.8 -51.9 13.2 333 334 A G H X S+ 0 0 4 -4,-2.9 4,-3.4 2,-0.2 -2,-0.2 0.896 113.9 46.9 -57.7 -44.0 3.3 -55.2 11.9 334 335 A V H < S+ 0 0 3 -4,-2.7 6,-0.2 2,-0.2 -2,-0.2 0.939 116.8 43.4 -67.4 -44.2 0.6 -55.7 9.2 335 336 A W H >< S+ 0 0 0 -4,-3.1 3,-1.6 -5,-0.2 -2,-0.2 0.951 116.9 46.7 -62.9 -48.2 0.9 -52.1 8.1 336 337 A Y H 3< S+ 0 0 0 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.934 120.8 37.3 -64.4 -45.4 4.7 -52.2 8.2 337 338 A W T >< S+ 0 0 14 -4,-3.4 3,-3.4 -5,-0.2 -1,-0.3 -0.005 81.1 141.4 -84.5 25.0 4.8 -55.6 6.3 338 339 A R G X + 0 0 2 -3,-1.6 3,-1.5 1,-0.3 140,-0.8 0.721 56.9 63.0 -52.6 -30.9 2.0 -54.6 4.2 339 340 A P G 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 140,-0.1 0.631 95.9 67.4 -72.4 3.6 3.2 -56.1 0.8 340 341 A T G < S+ 0 0 17 -3,-3.4 -173,-0.4 -6,-0.2 -174,-0.3 0.354 92.8 64.3-100.5 6.5 2.9 -59.5 2.6 341 342 A V S < S- 0 0 0 -3,-1.5 137,-2.0 2,-0.2 -247,-0.0 -0.758 80.0-128.5-115.7 173.9 -0.9 -59.5 3.0 342 343 A W S S+ 0 0 3 -2,-0.3 2,-0.2 135,-0.2 -186,-0.1 0.325 88.1 65.2-107.3 3.8 -3.5 -59.6 0.2 343 344 A W S S- 0 0 2 -5,-0.1 -2,-0.2 -250,-0.0 -253,-0.1 -0.740 89.5-108.0-116.5 168.8 -5.5 -56.6 1.4 344 345 A D - 0 0 42 -2,-0.2 -254,-0.2 134,-0.2 136,-0.1 -0.857 37.1-141.3 -97.9 112.6 -4.4 -52.8 1.6 345 346 A P - 0 0 0 0, 0.0 136,-3.0 0, 0.0 2,-0.4 -0.408 6.7-129.7 -77.5 156.0 -3.9 -52.0 5.2 346 347 A A - 0 0 1 134,-0.2 -11,-0.1 135,-0.2 134,-0.1 -0.848 4.5-150.9-102.9 129.6 -5.0 -48.5 6.6 347 348 A A - 0 0 0 -2,-0.4 -1,-0.2 1,-0.1 -12,-0.1 0.969 17.0-168.2 -72.1 -46.2 -2.5 -46.7 8.6 348 349 A G + 0 0 4 -69,-0.1 -1,-0.1 1,-0.0 -69,-0.1 0.854 47.4 115.2 63.5 40.7 -5.1 -44.9 10.8 349 350 A V + 0 0 0 4,-0.1 -1,-0.0 23,-0.0 -71,-0.0 -0.008 28.0 136.9-133.8 28.9 -2.7 -42.3 12.3 350 351 A S S > S- 0 0 17 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.283 72.8 -98.4 -53.5 160.1 -3.9 -39.0 11.0 351 352 A P H > S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.910 125.6 48.5 -58.9 -44.4 -4.0 -36.3 13.9 352 353 A E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.961 113.0 49.7 -59.2 -47.0 -7.7 -36.7 14.6 353 354 A E H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 108.6 52.8 -60.0 -40.3 -7.2 -40.5 14.7 354 355 A R H X S+ 0 0 20 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.850 106.6 52.4 -67.9 -31.9 -4.2 -40.1 17.1 355 356 A E H X S+ 0 0 123 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.936 109.7 48.6 -60.3 -48.0 -6.3 -38.0 19.4 356 357 A W H X S+ 0 0 26 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.931 110.8 51.2 -55.7 -46.1 -9.0 -40.7 19.5 357 358 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 7,-0.2 0.853 106.9 55.5 -60.0 -38.6 -6.4 -43.4 20.1 358 359 A E H < S+ 0 0 65 -4,-1.8 -1,-0.2 2,-0.2 6,-0.2 0.855 110.3 42.5 -70.5 -38.3 -5.0 -41.3 23.0 359 360 A E H < S+ 0 0 141 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.3 47.6 -77.3 -33.4 -8.3 -41.1 24.8 360 361 A K H < S+ 0 0 48 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.857 130.2 24.3 -65.5 -31.8 -9.1 -44.8 24.2 361 362 A Y S >< S- 0 0 7 -4,-2.5 3,-2.7 -5,-0.3 -1,-0.3 -0.680 78.9-149.7-139.5 80.4 -5.6 -45.6 25.4 362 363 A P T 3 S+ 0 0 112 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.325 90.7 33.4 -45.6 120.5 -3.8 -43.1 27.7 363 364 A G T 3> S+ 0 0 26 -5,-0.1 4,-1.3 4,-0.0 3,-0.2 0.078 81.8 117.3 116.6 -17.8 -0.1 -43.5 26.8 364 365 A W T <4>S+ 0 0 3 -3,-2.7 5,-3.4 -7,-0.2 3,-0.3 0.853 74.0 47.9 -48.6 -48.4 -0.6 -44.3 23.1 365 366 A N T 4>S+ 0 0 41 1,-0.2 5,-0.5 3,-0.2 -1,-0.2 0.932 112.5 50.9 -67.3 -37.5 1.3 -41.3 21.7 366 367 A D T 45S+ 0 0 95 -3,-0.2 43,-2.3 3,-0.2 -1,-0.2 0.647 127.7 19.4 -64.8 -30.3 4.3 -41.9 24.1 367 368 A T T >X5S+ 0 0 11 -4,-1.3 3,-1.4 -3,-0.3 4,-0.6 0.576 138.4 20.8-104.0 -99.3 4.6 -45.6 23.2 368 369 A W H >>5S+ 0 0 3 1,-0.3 4,-1.4 39,-0.2 3,-0.6 0.796 117.6 68.7 -40.4 -43.1 3.0 -46.7 19.9 369 370 A G H 3>X S+ 0 0 5 -4,-2.1 4,-3.0 -5,-0.2 3,-0.6 0.958 106.8 52.8 -67.0 -53.5 5.6 -40.2 9.3 377 378 A D H 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S+ 0 0 1 -3,-2.6 -1,-0.2 -4,-0.2 -2,-0.2 0.364 95.9 61.7 -99.8 1.3 8.6 -47.6 5.8 388 389 A V S < S- 0 0 49 -3,-0.6 -51,-0.1 -4,-0.2 2,-0.1 -0.890 90.2-109.2-115.5 154.8 8.7 -51.0 4.1 389 390 A P - 0 0 22 0, 0.0 -2,-0.1 0, 0.0 464,-0.0 -0.412 19.0-165.0 -92.1 165.2 11.0 -53.9 5.6 390 391 A E S S+ 0 0 89 -2,-0.1 2,-0.2 463,-0.1 73,-0.1 0.247 77.2 34.8-127.1 1.4 14.1 -55.7 4.6 391 392 A T S S- 0 0 11 462,-0.1 444,-0.1 71,-0.1 71,-0.0 -0.811 85.7 -93.1-139.4-170.7 14.0 -58.5 6.9 392 393 A L - 0 0 23 442,-0.3 442,-2.8 -2,-0.2 2,-0.2 -0.771 34.0-123.2-102.3 148.1 11.4 -60.9 8.6 393 394 A P B -A 833 0A 16 0, 0.0 440,-0.3 0, 0.0 2,-0.2 -0.585 40.0 -94.4 -74.6 156.9 9.9 -60.3 11.9 394 395 A T - 0 0 1 438,-2.6 9,-1.7 9,-0.2 2,-0.4 -0.578 43.8-142.9 -63.8 129.8 10.4 -63.1 14.5 395 396 A I B -F 402 0B 10 -2,-0.2 31,-0.3 7,-0.2 53,-0.1 -0.869 14.7-117.7 -96.9 131.6 7.2 -65.4 14.3 396 397 A C > - 0 0 0 5,-3.4 4,-1.0 -2,-0.4 31,-0.3 -0.388 19.1-135.6 -63.2 139.3 5.8 -66.9 17.5 397 398 A N T 4 S+ 0 0 11 29,-3.8 30,-0.1 2,-0.1 -1,-0.1 0.663 97.2 39.6 -78.5 -10.4 5.9 -70.7 17.3 398 399 A M T 4 S+ 0 0 2 28,-0.3 -1,-0.1 3,-0.1 29,-0.1 0.866 128.2 24.6 -98.4 -65.0 2.4 -71.2 18.7 399 400 A C T 4 S- 0 0 5 2,-0.1 -225,-0.2 1,-0.1 -2,-0.1 0.672 91.7-136.2 -76.4 -14.6 0.2 -68.4 17.2 400 401 A N < + 0 0 5 -4,-1.0 -230,-0.2 1,-0.3 -3,-0.1 0.823 65.0 124.4 64.8 24.3 2.4 -67.9 14.0 401 402 A L S S- 0 0 3 -231,-0.1 -5,-3.4 1,-0.1 -1,-0.3 -0.824 73.7 -86.8-111.7 155.6 2.0 -64.2 14.6 402 403 A P B -F 395 0B 12 0, 0.0 2,-0.7 0, 0.0 -7,-0.2 -0.353 39.4-117.3 -66.1 151.8 5.0 -61.7 15.0 403 404 A I + 0 0 0 -9,-1.7 429,-1.6 429,-0.2 2,-0.3 -0.802 59.4 147.6 -91.9 107.9 6.3 -61.3 18.6 404 405 A A B +G 831 0C 18 -2,-0.7 2,-0.3 427,-0.2 427,-0.2 -0.860 12.2 142.4-141.4 171.0 5.5 -57.6 19.1 405 406 A H - 0 0 34 425,-2.3 8,-0.2 -2,-0.3 6,-0.0 -0.975 51.6 -5.4 168.1-176.4 4.5 -55.4 22.0 406 407 A T - 0 0 9 6,-0.3 6,-3.6 -2,-0.3 7,-0.3 -0.157 56.5-178.6 -52.0 117.5 4.8 -52.0 23.7 407 408 A P > + 0 0 0 0, 0.0 3,-1.1 0, 0.0 -39,-0.2 -0.013 44.0 38.1 -90.2-167.7 7.5 -49.6 22.0 408 409 A G G > S- 0 0 2 420,-1.9 3,-1.4 -41,-0.2 -41,-0.3 -0.045 119.6 -9.3 62.6-140.6 8.6 -46.0 23.0 409 410 A N G 3 S+ 0 0 67 -43,-2.3 -1,-0.2 1,-0.3 -42,-0.2 0.410 139.1 48.5 -82.4 8.9 9.0 -44.8 26.6 410 411 A K G < S- 0 0 148 -3,-1.1 -1,-0.3 -44,-0.1 -2,-0.1 -0.199 80.9-179.6-127.2 42.8 7.4 -47.9 28.0 411 412 A W < + 0 0 53 -3,-1.4 -5,-0.1 1,-0.1 -3,-0.1 -0.135 15.7 152.0 -51.1 122.8 9.5 -50.4 25.9 412 413 A N + 0 0 72 -6,-3.6 2,-0.4 2,-0.0 -6,-0.3 0.030 4.3 148.9-146.3 37.8 8.3 -53.9 26.9 413 414 A V - 0 0 4 -7,-0.3 2,-0.3 416,-0.2 -8,-0.1 -0.662 25.1-178.0 -85.5 123.1 8.8 -56.4 24.0 414 415 A K - 0 0 95 -2,-0.4 2,-0.5 -10,-0.2 418,-0.1 -0.892 22.2-150.6-124.5 153.4 9.6 -59.9 25.5 415 416 A D - 0 0 11 -2,-0.3 2,-1.3 457,-0.1 13,-0.2 -0.985 5.9-155.5-130.4 121.3 10.3 -63.3 24.0 416 417 A Y - 0 0 54 11,-2.3 13,-0.2 -2,-0.5 2,-0.1 -0.702 29.8-173.8 -98.7 78.1 9.3 -66.4 25.9 417 418 A Q - 0 0 6 -2,-1.3 2,-0.3 9,-0.2 9,-0.2 -0.342 10.3-168.9 -82.1 158.5 11.9 -68.7 24.4 418 419 A L E -H 425 0D 30 7,-2.2 7,-3.2 -2,-0.1 2,-0.5 -0.958 15.7-149.6-153.6 127.1 12.1 -72.5 25.0 419 420 A E E +H 424 0D 104 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.852 26.5 170.2 -92.4 124.1 14.8 -75.1 24.2 420 421 A Y E > -H 423 0D 58 3,-3.2 3,-1.6 -2,-0.5 -2,-0.1 -0.962 64.8 -20.7-146.8 118.7 13.2 -78.5 23.6 421 422 A E T 3 S- 0 0 150 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.877 127.4 -46.6 45.1 52.0 15.0 -81.4 22.2 422 423 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.579 116.6 106.1 74.8 9.8 17.9 -79.4 20.7 423 424 A R E < -H 420 0D 58 -3,-1.6 -3,-3.2 2,-0.0 2,-0.5 -0.960 61.9-137.3-122.3 141.9 15.6 -76.8 19.0 424 425 A L E -H 419 0D 18 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.866 22.8-166.7 -91.4 121.3 15.1 -73.2 20.0 425 426 A Y E -H 418 0D 10 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.3 -0.903 10.1-144.6-115.0 149.1 11.5 -71.9 19.9 426 427 A H - 0 0 6 -2,-0.4 -29,-3.8 -31,-0.3 2,-0.4 -0.846 13.5-169.3-108.8 136.2 10.2 -68.4 20.1 427 428 A F - 0 0 0 -2,-0.3 -11,-2.3 -31,-0.3 -31,-0.1 -0.997 22.5-146.3-132.8 133.7 6.8 -67.4 21.8 428 429 A G S S+ 0 0 18 -2,-0.4 2,-0.3 -13,-0.2 -24,-0.2 0.378 82.9 3.9 -75.2 3.3 4.9 -64.1 21.6 429 430 A S S > S- 0 0 11 -13,-0.2 4,-1.4 1,-0.1 5,-0.1 -0.963 77.7 -98.9-178.6 166.4 3.6 -64.4 25.3 430 431 A E H > S+ 0 0 88 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.871 121.3 51.0 -71.9 -41.7 3.7 -66.6 28.4 431 432 A A H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 106.2 55.6 -60.2 -35.7 0.4 -68.3 27.5 432 433 A D H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.908 109.0 47.4 -70.5 -40.2 1.6 -69.2 23.9 433 434 A R H X S+ 0 0 50 -4,-1.4 4,-2.7 2,-0.2 3,-0.3 0.911 109.5 53.0 -64.6 -41.4 4.7 -70.9 25.3 434 435 A W H X S+ 0 0 57 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.884 100.4 61.6 -68.3 -36.8 2.5 -72.9 27.9 435 436 A C H < S+ 0 0 0 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.897 110.0 42.8 -52.7 -39.5 0.2 -74.1 25.1 436 437 A F H >< S+ 0 0 2 -4,-1.2 3,-1.6 -3,-0.3 -2,-0.2 0.962 113.0 52.3 -71.4 -52.5 3.3 -75.8 23.6 437 438 A Q H 3< S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.822 103.4 53.4 -54.7 -40.1 4.5 -77.1 27.0 438 439 A I T 3< S+ 0 0 53 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.1 0.658 131.4 16.2 -72.0 -9.6 1.4 -78.8 28.2 439 440 A D X> + 0 0 54 -3,-1.6 3,-2.2 -4,-0.3 4,-0.5 -0.169 68.8 161.8-159.7 55.3 1.4 -80.8 24.8 440 441 A P H >> S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 3,-0.8 0.703 72.7 64.6 -53.5 -27.3 4.8 -80.6 23.0 441 442 A E H 34 S+ 0 0 113 1,-0.3 96,-0.3 2,-0.2 4,-0.2 0.726 96.0 59.4 -74.3 -21.3 4.0 -83.7 20.8 442 443 A R H <4 S+ 0 0 14 -3,-2.2 93,-2.5 -6,-0.2 -1,-0.3 0.720 122.8 19.5 -79.0 -20.5 1.2 -81.8 19.1 443 444 A Y H X< S+ 0 0 13 -3,-0.8 3,-1.9 -4,-0.5 -2,-0.2 0.586 88.7 109.5-127.7 -15.5 3.5 -79.0 17.9 444 445 A E T 3< S+ 0 0 25 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.812 86.1 30.5 -30.7 -83.6 7.1 -80.2 17.9 445 446 A N T 3 S+ 0 0 41 -4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.150 87.7 118.6 -83.7 21.4 8.1 -80.5 14.4 446 447 A H < - 0 0 9 -3,-1.9 2,-0.4 -2,-0.2 89,-0.1 -0.623 51.6-151.5 -80.3 150.7 5.9 -77.8 13.0 447 448 A T - 0 0 18 -2,-0.2 2,-0.1 87,-0.1 -2,-0.1 -0.989 1.1-146.5-128.7 132.8 7.9 -75.0 11.4 448 449 A N > - 0 0 2 -2,-0.4 4,-2.2 -53,-0.1 5,-0.2 -0.408 40.1 -90.9 -90.5 177.2 6.9 -71.4 11.1 449 450 A L H > S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 9,-0.1 0.768 127.7 48.8 -65.5 -34.3 7.8 -69.2 8.2 450 451 A V H > S+ 0 0 3 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.947 109.3 53.0 -67.3 -57.1 11.0 -68.0 9.7 451 452 A D H > S+ 0 0 23 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.873 111.7 47.6 -39.2 -46.8 12.0 -71.6 10.6 452 453 A R H <>S+ 0 0 18 -4,-2.2 5,-1.9 2,-0.2 6,-0.5 0.933 111.5 49.8 -68.2 -45.9 11.4 -72.4 6.9 453 454 A F H ><5S+ 0 0 39 -4,-2.6 3,-1.6 1,-0.2 5,-0.4 0.946 113.8 45.1 -51.4 -57.8 13.4 -69.4 5.8 454 455 A L H 3<5S+ 0 0 69 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.642 109.7 59.1 -56.6 -24.1 16.4 -70.3 8.1 455 456 A K T 3<5S- 0 0 125 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.495 115.1-107.0 -89.8 -9.6 16.1 -73.9 7.0 456 457 A G T < 5S+ 0 0 38 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.382 85.6 118.7 95.1 -2.6 16.7 -73.5 3.4 457 458 A E < + 0 0 90 -5,-1.9 2,-0.5 -6,-0.2 -4,-0.2 0.571 61.7 68.7 -78.4 -7.4 13.1 -74.2 2.3 458 459 A I S S- 0 0 1 -6,-0.5 8,-0.1 -5,-0.4 -2,-0.1 -0.961 80.0-146.4-114.5 122.2 12.6 -70.8 0.7 459 460 A Q S S+ 0 0 134 -2,-0.5 2,-0.2 6,-0.2 -6,-0.0 -0.990 85.0 36.4-143.3 131.3 14.6 -70.2 -2.5 460 461 A P S S- 0 0 86 0, 0.0 2,-1.3 0, 0.0 6,-0.0 0.626 95.1-140.7 -58.0 151.7 15.9 -67.7 -3.6 461 462 A A + 0 0 54 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.596 68.7 87.5 -94.3 65.0 16.4 -67.1 0.2 462 463 A D S > S- 0 0 75 -2,-1.3 4,-2.1 -71,-0.0 3,-0.5 -0.886 98.2 -82.1-143.1-178.3 15.7 -63.4 0.0 463 464 A L H > S+ 0 0 67 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.828 126.1 54.0 -59.9 -35.5 12.5 -61.3 0.3 464 465 A A H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.853 110.4 50.1 -71.0 -30.7 11.5 -61.8 -3.4 465 466 A G H > S+ 0 0 5 -3,-0.5 4,-3.0 2,-0.2 -6,-0.2 0.935 108.3 49.3 -68.0 -56.2 11.7 -65.5 -2.8 466 467 A A H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 6,-0.2 0.910 109.2 55.4 -46.7 -49.3 9.6 -65.4 0.3 467 468 A L H <>S+ 0 0 37 -4,-2.7 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0.790 102.6 56.0 -81.4 -23.9 -21.2 -88.3 7.8 627 141 B Y H >X S+ 0 0 6 -4,-1.5 3,-0.9 2,-0.2 4,-0.7 0.947 103.9 54.7 -67.9 -40.1 -18.0 -90.3 8.1 628 142 B I H >X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.3 3,-1.0 0.911 103.8 58.2 -56.4 -36.5 -17.7 -90.3 4.3 629 143 B H H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.840 105.6 45.3 -56.8 -43.5 -17.9 -86.5 4.4 630 144 B Q H << S+ 0 0 4 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.435 120.9 36.0 -97.6 0.6 -14.9 -85.9 6.7 631 145 B I H << S+ 0 0 1 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.540 82.0 115.5-123.6 -17.5 -12.5 -88.3 5.0 632 146 B A < - 0 0 0 -4,-2.2 6,-0.1 -5,-0.2 -84,-0.1 -0.265 68.6-124.7 -51.5 144.0 -13.3 -88.0 1.2 633 147 B P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -74,-0.1 0.531 85.8 41.2 -73.0 1.9 -10.4 -86.5 -0.9 634 148 B A S > S- 0 0 0 -76,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.985 73.2-127.5-149.9 149.6 -12.4 -83.6 -2.6 635 149 B S H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.808 110.9 56.8 -71.6 -24.6 -15.0 -81.1 -1.5 636 150 B T H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.1 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34 S+ 0 0 14 -64,-0.1 -1,-0.3 1,-0.1 4,-0.1 -0.056 123.7 60.8 90.9 -40.4 -41.3 -95.7 21.3 673 187 B K T <4 S+ 0 0 172 -3,-2.7 4,-0.3 -2,-0.1 3,-0.3 0.754 105.5 41.3 -83.5 -34.3 -40.2 -97.9 24.3 674 188 B R S X S+ 0 0 146 -4,-2.0 4,-1.6 1,-0.2 3,-0.1 0.501 79.0 95.8-100.5 -5.2 -39.3 -101.2 22.6 675 189 B E H > S+ 0 0 2 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.868 83.8 56.3 -59.8 -34.4 -37.5 -100.3 19.4 676 190 B R H > S+ 0 0 67 -3,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.933 107.8 46.4 -66.8 -41.9 -34.0 -100.8 21.1 677 191 B D H > S+ 0 0 97 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.884 113.6 49.8 -64.5 -30.8 -34.7 -104.3 22.2 678 192 B V H >X S+ 0 0 28 -4,-1.6 4,-3.6 2,-0.2 3,-0.7 0.999 113.8 43.7 -70.7 -62.9 -36.1 -105.2 18.7 679 193 B W H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.836 121.5 43.2 -40.9 -47.8 -33.1 -103.8 16.9 680 194 B E H 3< S+ 0 0 26 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.814 131.4 15.4 -70.5 -30.2 -30.8 -105.5 19.4 681 195 B N H << S+ 0 0 108 -4,-2.4 -3,-0.2 -3,-0.7 -2,-0.2 0.482 90.1 105.4-128.7 -8.8 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43.2 -57.3 -44.4 -21.9 -102.1 12.7 694 208 B K H >< S+ 0 0 73 -4,-2.5 3,-1.4 -5,-0.3 -2,-0.2 0.937 113.0 51.7 -69.9 -38.1 -19.1 -103.7 10.6 695 209 B A H >< S+ 0 0 2 -4,-2.1 3,-2.3 -5,-0.3 -2,-0.2 0.910 98.4 67.3 -64.8 -33.4 -19.5 -101.0 7.9 696 210 B L T 3< S+ 0 0 6 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.622 101.3 46.9 -64.0 -14.0 -19.2 -98.2 10.5 697 211 B I T < S+ 0 0 41 -3,-1.4 2,-1.3 -4,-0.4 -1,-0.3 0.149 74.8 114.3-112.8 16.9 -15.5 -99.0 11.2 698 212 B A < - 0 0 8 -3,-2.3 6,-0.1 1,-0.2 9,-0.1 -0.686 45.6-180.0 -73.4 96.5 -14.4 -99.3 7.6 699 213 B W + 0 0 32 -2,-1.3 2,-0.3 4,-0.1 -1,-0.2 0.765 44.3 99.8 -79.6 -15.6 -12.1 -96.3 7.9 700 214 B D S > S- 0 0 19 1,-0.2 4,-3.6 -3,-0.1 5,-0.2 -0.459 74.7-133.7 -75.3 128.9 -10.7 -96.1 4.4 701 215 B W H > S+ 0 0 2 -154,-2.4 4,-2.7 -2,-0.3 5,-0.2 0.865 102.7 44.7 -48.5 -41.8 -12.6 -93.5 2.5 702 216 B G H > S+ 0 0 0 -155,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.900 114.9 49.2 -77.9 -34.1 -13.1 -95.7 -0.7 703 217 B E H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 5,-0.3 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