==== 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 TRANSFERASE 17-JUL-06 2HPI . COMPND 2 MOLECULE: DNA POLYMERASE III ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR S.BAILEY,R.A.WING,T.A.STEITZ . 1143 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 785 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 74 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.7 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 5 5 1 4 4 2 4 6 4 3 0 3 3 1 1 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 3 1 0 2 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 PARALLEL BRIDGES PER LADDER . 3 1 2 2 1 1 4 1 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 1 1 0 1 1 0 1 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 5 A L 0 0 116 0, 0.0 2,-0.2 0, 0.0 246,-0.1 0.000 360.0 360.0 360.0 111.6 -50.7 26.1 40.5 2 6 A K - 0 0 94 244,-0.1 2,-0.3 243,-0.1 265,-0.1 -0.664 360.0-162.4-119.6 178.9 -50.5 22.6 38.9 3 7 A F - 0 0 8 -2,-0.2 2,-0.5 263,-0.1 34,-0.2 -0.960 9.8-155.3-164.3 143.0 -49.2 21.1 35.6 4 8 A A - 0 0 10 -2,-0.3 2,-0.2 259,-0.3 34,-0.1 -0.953 24.1-129.5-128.4 112.8 -49.5 18.0 33.5 5 9 A H + 0 0 10 -2,-0.5 34,-1.6 32,-0.4 3,-0.2 -0.402 29.5 171.5 -62.7 124.9 -46.7 17.0 31.1 6 10 A L + 0 0 0 195,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.456 69.9 54.3-114.8 -9.1 -48.2 16.3 27.6 7 11 A H S S+ 0 0 0 59,-0.1 198,-1.5 82,-0.1 2,-0.4 -0.827 73.0 145.9-126.4 89.9 -44.9 15.9 25.6 8 12 A Q B -ab 40 205A 0 31,-0.6 33,-2.5 -2,-0.4 2,-0.3 -0.993 34.9-147.9-130.8 132.3 -42.9 13.2 27.5 9 13 A H - 0 0 0 196,-1.8 10,-0.2 -2,-0.4 2,-0.2 -0.756 17.1-167.5 -98.7 145.3 -40.6 10.6 26.0 10 14 A T > - 0 0 0 -2,-0.3 3,-1.7 7,-0.1 10,-0.2 -0.503 47.0 -76.6-117.0-172.7 -40.2 7.2 27.6 11 15 A Q T 3 S+ 0 0 20 8,-1.6 532,-0.5 1,-0.3 6,-0.1 0.560 121.4 74.6 -59.4 -7.9 -37.8 4.2 27.3 12 16 A F T 3 + 0 0 12 7,-0.2 2,-1.7 1,-0.2 -1,-0.3 0.581 67.0 83.3 -93.2 -11.1 -39.7 3.5 24.1 13 17 A S S X> S- 0 0 2 -3,-1.7 4,-3.4 1,-0.2 3,-0.5 -0.710 78.5-163.9 -79.0 81.7 -38.2 6.3 22.1 14 18 A L T 34 S+ 0 0 23 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.0 0.658 72.8 44.8 -53.1 -28.1 -35.4 3.6 21.6 15 19 A L T 34 S+ 0 0 62 28,-0.1 -1,-0.2 -3,-0.1 208,-0.2 0.895 134.2 5.5 -86.4 -40.7 -32.7 6.0 20.4 16 20 A D T <4 S+ 0 0 17 -3,-0.5 2,-0.4 -6,-0.1 -2,-0.2 0.406 95.5 111.7-126.8 -0.4 -32.9 8.9 22.8 17 21 A G < + 0 0 3 -4,-3.4 190,-0.1 1,-0.1 -7,-0.1 -0.653 25.4 163.1 -82.5 128.5 -35.5 8.0 25.5 18 22 A A + 0 0 15 188,-2.5 2,-0.8 -2,-0.4 190,-0.2 0.427 38.1 109.7-123.2 -4.1 -34.1 7.4 29.0 19 23 A A - 0 0 0 187,-0.5 -8,-1.6 -10,-0.2 -7,-0.2 -0.679 61.4-141.4 -83.3 109.6 -37.2 7.6 31.2 20 24 A K > - 0 0 33 -2,-0.8 4,-1.6 -10,-0.2 5,-0.2 -0.456 16.9-123.9 -69.5 141.5 -38.1 4.2 32.6 21 25 A L H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.800 102.6 46.8 -60.4 -34.6 -41.9 3.6 32.7 22 26 A Q H > S+ 0 0 84 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.992 114.2 38.6 -74.7 -64.4 -42.1 2.8 36.4 23 27 A D H > S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.705 113.9 59.2 -66.0 -18.5 -40.0 5.6 38.2 24 28 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.914 105.2 48.6 -69.1 -45.9 -41.4 8.1 35.7 25 29 A L H X S+ 0 0 0 -4,-1.1 4,-1.4 -3,-0.5 -2,-0.2 0.772 111.8 48.2 -68.3 -28.6 -45.0 7.4 36.8 26 30 A K H X S+ 0 0 81 -4,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.844 108.4 54.8 -78.2 -32.5 -44.1 7.6 40.5 27 31 A W H X S+ 0 0 67 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.845 110.3 46.0 -68.0 -34.9 -42.3 10.9 40.0 28 32 A V H X S+ 0 0 11 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.895 115.3 48.2 -68.5 -41.6 -45.4 12.3 38.3 29 33 A K H < S+ 0 0 69 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.877 112.5 46.8 -66.1 -42.2 -47.5 10.9 41.1 30 34 A E H < S+ 0 0 129 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.771 115.6 46.1 -74.8 -27.5 -45.3 12.3 43.9 31 35 A T H < S+ 0 0 40 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.2 0.959 125.9 25.3 -76.9 -57.1 -45.1 15.7 42.4 32 36 A T < + 0 0 22 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.872 61.4 171.3-112.6 96.8 -48.8 16.1 41.6 33 37 A P + 0 0 87 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.815 60.5 86.3 -69.5 -29.7 -51.0 14.0 43.9 34 38 A E S S- 0 0 127 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.633 117.6 -35.9 -80.6 119.0 -54.2 15.7 42.6 35 39 A D S S- 0 0 136 -2,-0.5 -1,-0.2 1,-0.1 26,-0.1 0.813 82.1-155.2 39.5 54.8 -55.7 14.1 39.4 36 40 A P - 0 0 8 0, 0.0 26,-2.7 0, 0.0 2,-0.3 -0.276 15.6-176.8 -69.1 140.3 -52.2 13.3 38.0 37 41 A A E + c 0 62A 11 24,-0.2 -32,-0.4 -34,-0.2 2,-0.3 -0.983 10.5 179.8-135.9 148.5 -51.9 12.9 34.2 38 42 A L E - c 0 63A 1 24,-2.0 26,-1.8 -2,-0.3 2,-0.5 -0.981 15.7-146.9-147.5 135.4 -49.1 12.0 31.8 39 43 A A E - c 0 64A 0 -34,-1.6 2,-0.9 -2,-0.3 -31,-0.6 -0.890 10.6-144.3-102.7 130.6 -49.0 11.7 28.0 40 44 A M E +ac 8 65A 0 24,-2.9 26,-2.5 -2,-0.5 2,-0.5 -0.850 27.8 168.9 -89.6 104.7 -46.7 9.1 26.4 41 45 A T E + c 0 66A 0 -33,-2.5 26,-0.3 -2,-0.9 2,-0.2 -0.788 11.3 179.6-119.6 88.8 -45.5 10.8 23.2 42 46 A D E > - c 0 67A 0 24,-0.6 26,-2.5 -2,-0.5 2,-1.0 -0.486 40.3 -86.1 -90.5 159.2 -42.7 8.7 21.7 43 47 A H E 3 S- c 0 68A 21 1,-0.2 26,-0.2 -2,-0.2 -29,-0.2 -0.496 95.7 -38.0 -67.8 98.8 -40.6 9.3 18.6 44 48 A G T 3 S+ 0 0 0 24,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.805 118.0 79.9 57.5 40.7 -42.6 7.7 15.7 45 49 A N < - 0 0 5 -3,-0.6 -3,-0.4 23,-0.1 23,-0.2 -0.980 60.8-146.9-165.4 167.1 -44.0 4.6 17.4 46 50 A L > + 0 0 0 -2,-0.3 3,-0.6 1,-0.1 4,-0.4 0.087 55.7 126.8-124.8 18.1 -46.6 3.3 19.8 47 51 A F T 3 S+ 0 0 11 1,-0.2 3,-0.4 -35,-0.2 4,-0.3 0.870 75.3 41.2 -46.4 -56.8 -44.5 0.5 21.5 48 52 A G T 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.1 3,-0.5 0.771 85.2 103.8 -66.2 -29.8 -45.1 1.5 25.1 49 53 A A H <> S+ 0 0 0 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.666 83.8 37.7 -22.3 -64.8 -48.8 2.3 24.7 50 54 A V H > S+ 0 0 1 -3,-0.4 4,-2.3 -4,-0.4 -1,-0.2 0.939 120.8 43.2 -65.3 -50.6 -50.3 -0.8 26.3 51 55 A E H > S+ 0 0 49 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.856 115.2 51.9 -63.1 -36.2 -47.8 -1.3 29.1 52 56 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.918 110.0 48.8 -63.6 -46.6 -47.9 2.4 29.8 53 57 A Y H X S+ 0 0 14 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.906 115.2 43.6 -59.3 -44.6 -51.7 2.4 30.1 54 58 A K H X S+ 0 0 75 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.743 115.4 47.4 -79.9 -22.6 -51.7 -0.6 32.4 55 59 A K H < S+ 0 0 77 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.875 116.4 42.8 -80.9 -41.5 -48.9 0.6 34.7 56 60 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.1 -5,-0.2 3,-0.8 0.854 111.6 55.8 -69.5 -37.0 -50.3 4.1 35.0 57 61 A T H 3<5S+ 0 0 76 -4,-1.8 3,-0.4 -5,-0.3 -1,-0.2 0.819 108.1 47.6 -67.5 -31.0 -53.8 2.8 35.5 58 62 A A T 3<5S+ 0 0 88 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.458 111.3 52.3 -89.2 -3.3 -52.7 0.7 38.5 59 63 A M T < 5S- 0 0 63 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.389 116.2-111.0-106.9 -3.4 -50.8 3.6 40.0 60 64 A G T 5S+ 0 0 53 -4,-0.5 2,-0.3 -3,-0.4 -3,-0.2 0.554 76.3 130.1 82.9 8.5 -53.8 6.0 39.9 61 65 A V < - 0 0 4 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.726 61.4-123.9 -89.1 143.2 -52.2 8.2 37.2 62 66 A K E -c 37 0A 76 -26,-2.7 -24,-2.0 -2,-0.3 2,-0.2 -0.823 28.4-145.8 -88.7 115.4 -54.4 9.0 34.1 63 67 A P E -c 38 0A 16 0, 0.0 2,-0.4 0, 0.0 212,-0.3 -0.491 10.0-161.3 -79.6 148.7 -52.5 7.9 31.0 64 68 A I E -c 39 0A 2 -26,-1.8 -24,-2.9 -2,-0.2 2,-0.6 -0.981 15.2-138.5-129.9 121.0 -52.7 9.8 27.7 65 69 A I E +c 40 0A 2 -2,-0.4 27,-2.2 27,-0.3 2,-0.2 -0.690 36.3 164.6 -85.2 117.2 -51.6 7.9 24.5 66 70 A G E -cD 41 91A 0 -26,-2.5 -24,-0.6 -2,-0.6 2,-0.3 -0.720 26.1-153.6-129.6 177.2 -49.6 10.2 22.3 67 71 A Y E -cD 42 90A 0 23,-2.3 23,-2.3 -26,-0.3 2,-1.0 -0.949 12.7-148.9-157.7 120.1 -47.3 10.1 19.3 68 72 A E E -cD 43 89A 1 -26,-2.5 -24,-2.4 -2,-0.3 21,-0.2 -0.839 35.9-153.8 -93.2 96.7 -44.5 12.4 18.2 69 73 A A E - D 0 88A 0 19,-2.2 19,-1.1 -2,-1.0 2,-0.7 -0.407 16.7-135.8 -72.6 139.9 -44.9 11.9 14.5 70 74 A Y E -eD 118 87A 18 47,-0.6 49,-2.5 17,-0.2 2,-0.5 -0.900 30.4-161.1 -84.7 120.2 -42.1 12.3 11.9 71 75 A V E -eD 119 86A 1 15,-3.3 15,-3.3 -2,-0.7 49,-0.2 -0.943 13.3-124.6-111.3 126.3 -44.0 14.2 9.2 72 76 A A E - D 0 85A 0 47,-2.6 49,-0.3 -2,-0.5 13,-0.2 -0.410 16.7-122.8 -69.6 141.5 -42.6 14.3 5.7 73 77 A A S S- 0 0 11 11,-2.0 -1,-0.1 2,-0.1 12,-0.1 0.901 96.4 -16.3 -46.8 -50.5 -41.9 17.6 4.0 74 78 A E S S+ 0 0 129 1,-0.4 47,-0.6 10,-0.3 48,-0.3 0.473 126.3 4.5-120.0 -94.1 -44.2 16.5 1.1 75 79 A S > - 0 0 35 45,-0.1 3,-1.4 1,-0.1 -1,-0.4 -0.757 55.1-131.9-102.7 149.3 -45.3 12.8 0.5 76 80 A R T 3 S+ 0 0 15 -2,-0.3 42,-0.2 1,-0.3 -1,-0.1 0.590 108.2 62.7 -70.8 -12.5 -44.5 9.8 2.7 77 81 A F T 3 S+ 0 0 112 35,-0.1 -1,-0.3 -5,-0.0 35,-0.0 0.614 77.0 116.4 -86.2 -15.0 -43.4 8.0 -0.5 78 82 A D < - 0 0 36 -3,-1.4 -5,-0.0 1,-0.1 -4,-0.0 -0.289 39.9-178.0 -56.5 130.4 -40.6 10.5 -1.1 79 83 A R + 0 0 105 35,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.462 26.2 166.9-120.4 55.1 -37.2 9.0 -1.0 80 84 A K 0 0 130 3,-0.1 -2,-0.0 4,-0.1 34,-0.0 -0.577 360.0 360.0 -85.2 131.9 -35.6 12.3 -1.5 81 85 A R 0 0 255 -2,-0.3 3,-0.1 3,-0.0 -1,-0.1 -0.745 360.0 360.0-107.9 360.0 -31.8 12.6 -0.9 82 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 83 91 A G 0 0 87 0, 0.0 -3,-0.1 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0-160.0 -36.7 18.2 1.9 84 92 A G - 0 0 42 -3,-0.1 -11,-2.0 -13,-0.1 2,-0.3 0.379 360.0 -67.0-112.5-117.7 -36.6 15.9 5.0 85 93 A Y E -D 72 0A 72 -13,-0.2 -13,-0.2 -12,-0.1 2,-0.2 -0.992 34.0-153.0-150.7 153.4 -39.1 15.4 7.8 86 94 A F E -D 71 0A 35 -15,-3.3 -15,-3.3 -2,-0.3 54,-0.3 -0.703 21.9-104.6-123.6 168.4 -40.4 17.3 10.8 87 95 A H E +Df 70 140A 36 52,-0.9 54,-0.7 -2,-0.2 2,-0.3 -0.620 29.1 180.0 -92.7 154.7 -41.9 16.7 14.3 88 96 A L E -D 69 0A 3 -19,-1.1 -19,-2.2 -2,-0.2 2,-0.5 -0.886 21.6-137.9-153.6 126.6 -45.5 16.8 15.3 89 97 A T E -DG 68 134A 0 45,-1.2 45,-2.4 -2,-0.3 2,-0.4 -0.727 26.8-177.8 -84.4 124.2 -47.0 16.2 18.8 90 98 A L E -DG 67 133A 0 -23,-2.3 -23,-2.3 -2,-0.5 2,-0.4 -0.972 8.2-171.6-125.1 138.8 -50.3 14.2 18.6 91 99 A L E -DG 66 132A 0 41,-2.9 41,-2.9 -2,-0.4 2,-0.5 -0.988 20.8-132.4-129.2 139.6 -52.6 13.1 21.4 92 100 A A E - G 0 131A 0 -27,-2.2 -27,-0.3 -2,-0.4 39,-0.2 -0.797 19.2-177.9 -91.0 124.2 -55.6 10.8 21.3 93 101 A K + 0 0 69 37,-2.0 181,-1.2 -2,-0.5 2,-0.3 0.724 68.9 8.3 -95.2 -25.2 -58.7 12.3 23.1 94 102 A D S > S- 0 0 58 36,-0.7 4,-2.3 179,-0.2 181,-0.2 -0.859 90.9 -86.0-142.1-179.0 -61.1 9.3 22.6 95 103 A F H > S+ 0 0 58 179,-0.4 4,-3.0 2,-0.3 5,-0.2 0.829 126.8 53.8 -64.0 -35.8 -60.9 5.7 21.3 96 104 A T H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.908 109.1 52.6 -61.0 -40.1 -61.4 6.6 17.7 97 105 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.3 0.950 108.1 49.8 -54.2 -51.9 -58.5 8.9 18.4 98 106 A Y H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.940 110.4 49.7 -52.7 -51.9 -56.6 5.9 19.7 99 107 A Q H X S+ 0 0 44 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.903 109.0 51.9 -56.0 -46.0 -57.4 3.8 16.6 100 108 A N H X S+ 0 0 5 -4,-2.6 4,-2.8 29,-0.3 -1,-0.2 0.851 107.4 51.9 -62.5 -36.6 -56.3 6.6 14.2 101 109 A L H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.937 108.4 53.0 -59.8 -44.8 -53.0 6.8 16.1 102 110 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 464,-0.4 0.890 111.8 44.6 -57.9 -43.3 -52.7 3.1 15.6 103 111 A R H X S+ 0 0 54 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.941 115.1 47.1 -66.5 -49.1 -53.3 3.5 11.8 104 112 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.946 112.5 48.8 -57.3 -52.1 -50.9 6.4 11.4 105 113 A A H X S+ 0 0 0 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.828 115.5 46.8 -56.3 -34.9 -48.1 4.7 13.5 106 114 A S H >X S+ 0 0 1 -4,-1.5 4,-2.7 -5,-0.3 3,-0.8 0.943 112.6 46.8 -71.0 -51.0 -48.7 1.6 11.3 107 115 A R H 3X>S+ 0 0 45 -4,-3.2 4,-3.1 1,-0.3 5,-1.8 0.853 103.6 63.2 -63.2 -38.2 -48.7 3.5 8.0 108 116 A A H 3<5S+ 0 0 0 -4,-3.0 10,-0.9 -5,-0.2 -1,-0.3 0.845 114.7 34.0 -51.2 -38.9 -45.6 5.5 9.0 109 117 A Y H <<5S+ 0 0 43 -4,-0.8 4,-0.4 -3,-0.8 -2,-0.2 0.878 124.1 41.0 -84.3 -43.6 -43.7 2.1 9.0 110 118 A L H <5S+ 0 0 60 -4,-2.7 -3,-0.2 456,-0.2 -2,-0.2 0.830 135.6 11.0 -80.2 -33.9 -45.5 0.3 6.2 111 119 A E T <5S+ 0 0 58 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.1 0.653 130.6 43.5-113.5 -27.9 -45.8 3.1 3.6 112 120 A G < + 0 0 0 -5,-1.8 6,-2.2 6,-0.1 2,-0.9 0.097 69.2 131.0-117.6 23.9 -43.7 5.9 4.9 113 121 A F B +I 117 0B 92 -4,-0.4 -4,-0.1 4,-0.2 -5,-0.0 -0.693 12.5 138.1 -88.5 106.2 -40.4 4.5 6.1 114 122 A Y S S- 0 0 51 2,-1.9 -1,-0.2 -2,-0.9 -35,-0.1 0.758 91.1 -33.3-102.3 -80.0 -37.4 6.3 4.8 115 123 A E S S+ 0 0 130 1,-0.4 -2,-0.1 0, 0.0 0, 0.0 0.693 142.8 18.5-105.6 -39.5 -34.8 6.8 7.6 116 124 A K S S- 0 0 54 -4,-0.2 -2,-1.9 -8,-0.0 2,-0.7 -0.765 102.9 -89.4-116.7 163.9 -37.4 7.2 10.2 117 125 A P B -I 113 0B 5 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.729 57.0-171.1 -79.6 117.7 -41.1 6.1 9.9 118 126 A R E -e 70 0A 8 -6,-2.2 -47,-0.2 -10,-0.9 2,-0.2 -0.802 15.7-157.3-117.3 152.5 -42.9 9.1 8.5 119 127 A I E -e 71 0A 0 -49,-2.5 -47,-2.6 -2,-0.3 2,-0.3 -0.661 18.0-117.3-117.0 175.3 -46.5 10.2 7.8 120 128 A D > - 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0 0 31 -5,-1.7 -1,-0.2 -4,-0.3 2,-0.1 -0.888 49.8-104.5-105.2 132.7 -12.0 2.7 30.5 492 514 A P > - 0 0 89 0, 0.0 4,-1.3 0, 0.0 3,-0.4 -0.342 29.6-122.8 -55.6 130.7 -9.7 -0.1 29.3 493 515 A H H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.791 104.2 56.8 -42.1 -44.3 -11.8 -3.2 28.2 494 516 A K H > S+ 0 0 165 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.926 106.3 43.5 -63.7 -53.5 -10.0 -5.6 30.6 495 517 A K H > S+ 0 0 144 -3,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.729 113.7 55.2 -67.8 -21.7 -10.6 -3.9 34.0 496 518 A A H X S+ 0 0 11 -4,-1.3 4,-1.7 2,-0.2 3,-0.3 0.879 103.4 54.2 -72.5 -42.3 -14.2 -3.3 32.8 497 519 A E H X S+ 0 0 44 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.790 105.4 53.9 -61.8 -30.4 -14.5 -7.0 32.2 498 520 A E H < S+ 0 0 122 -4,-1.3 -1,-0.2 2,-0.2 4,-0.2 0.799 107.0 51.4 -72.8 -31.1 -13.4 -7.7 35.8 499 521 A L H >< S+ 0 0 15 -4,-0.8 3,-0.7 -3,-0.3 4,-0.3 0.831 107.6 52.8 -71.9 -34.0 -16.1 -5.4 37.0 500 522 A A H >< S+ 0 0 1 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.766 102.3 58.5 -72.5 -28.5 -18.7 -7.2 34.9 501 523 A K T 3< S+ 0 0 122 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.493 90.9 72.0 -81.5 -4.9 -17.7 -10.6 36.4 502 524 A L T < S+ 0 0 80 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.709 78.2 92.1 -78.3 -23.2 -18.5 -9.4 39.9 503 525 A I S < S- 0 0 10 -3,-0.7 10,-0.1 -4,-0.3 -24,-0.0 -0.607 81.5-120.6 -79.7 128.1 -22.2 -9.5 39.2 504 526 A P - 0 0 59 0, 0.0 7,-2.4 0, 0.0 2,-0.5 -0.268 12.0-147.2 -68.2 152.6 -24.0 -12.8 40.2 505 527 A V B +S 510 0G 72 5,-0.2 3,-0.2 1,-0.1 4,-0.0 -0.955 23.6 167.7-121.2 106.5 -25.8 -15.0 37.7 506 528 A Q S S+ 0 0 143 3,-0.7 -1,-0.1 -2,-0.5 2,-0.1 0.767 74.7 8.1 -97.2 -28.1 -28.7 -16.8 39.4 507 529 A F S S- 0 0 190 2,-1.0 2,-2.8 0, 0.0 -1,-0.2 -0.550 120.5 -64.4-153.6 85.3 -30.7 -18.2 36.5 508 530 A G S S+ 0 0 73 -3,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.330 120.5 66.6 72.9 -60.0 -29.0 -17.9 33.1 509 531 A K S S- 0 0 169 -2,-2.8 -2,-1.0 1,-0.1 -3,-0.7 -0.636 91.7 -97.8 -96.5 150.5 -29.1 -14.1 33.1 510 532 A P B -S 505 0G 30 0, 0.0 -5,-0.2 0, 0.0 -32,-0.2 -0.078 39.2-102.0 -61.1 161.3 -27.2 -11.7 35.4 511 533 A K - 0 0 63 -7,-2.4 5,-0.0 1,-0.1 -8,-0.0 -0.597 43.1 -92.9 -83.5 145.4 -28.7 -10.0 38.6 512 534 A P >> - 0 0 51 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.228 29.5-122.0 -50.4 143.4 -29.9 -6.4 38.6 513 535 A L T 34 S+ 0 0 9 1,-0.2 24,-0.1 2,-0.2 -2,-0.0 0.562 102.1 85.8 -67.0 -8.7 -27.2 -3.8 39.7 514 536 A Q T 34 S+ 0 0 155 1,-0.2 -1,-0.2 2,-0.1 23,-0.0 0.889 99.4 31.2 -55.5 -44.7 -29.7 -2.9 42.4 515 537 A E T <4 0 0 123 -3,-1.2 -2,-0.2 3,-0.0 -1,-0.2 0.910 360.0 360.0 -82.9 -47.2 -28.5 -5.6 44.7 516 538 A A < 0 0 40 -4,-1.1 4,-0.1 -12,-0.1 -3,-0.1 0.935 360.0 360.0 -73.3 360.0 -24.8 -5.7 43.6 517 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 518 544 A E 0 0 199 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 10.1 -20.8 -7.1 48.0 519 545 A L > + 0 0 130 1,-0.2 3,-0.9 -17,-0.1 -3,-0.0 -0.231 360.0 125.0-106.0 40.1 -17.4 -6.2 46.4 520 546 A R T > + 0 0 146 1,-0.3 3,-2.5 -4,-0.1 4,-0.4 0.519 41.7 94.9 -76.6 -8.4 -18.8 -2.6 45.8 521 547 A A T 3> + 0 0 60 1,-0.3 4,-0.8 -3,-0.2 -1,-0.3 0.550 65.5 82.5 -59.2 -6.7 -15.8 -1.2 47.7 522 548 A E H <> S+ 0 0 50 -3,-0.9 4,-0.9 1,-0.2 -1,-0.3 0.677 83.5 58.6 -70.1 -21.3 -14.5 -1.0 44.1 523 549 A M H <4 S+ 0 0 33 -3,-2.5 7,-0.3 1,-0.2 -1,-0.2 0.839 95.7 62.7 -73.3 -37.5 -16.4 2.3 43.9 524 550 A E H 4 S+ 0 0 122 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.831 101.3 52.3 -57.9 -37.8 -14.5 3.8 46.8 525 551 A K H < S+ 0 0 147 -4,-0.8 2,-0.4 1,-0.2 -2,-0.2 0.996 113.4 31.9 -64.3 -68.3 -11.2 3.7 45.0 526 552 A D X - 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0 0 88 -4,-2.9 -3,-0.1 -5,-0.2 -23,-0.1 0.991 19.3-142.0 59.5 67.5 -29.4 -48.1 29.1 658 684 A P - 0 0 1 0, 0.0 -24,-0.2 0, 0.0 -25,-0.1 -0.245 26.5-179.6 -65.6 145.4 -33.0 -47.3 28.1 659 685 A R + 0 0 141 1,-0.2 2,-0.3 -25,-0.0 -29,-0.2 0.565 65.0 30.8-119.8 -20.0 -35.2 -50.1 26.7 660 686 A R S >> S- 0 0 100 -30,-0.1 3,-1.6 1,-0.1 4,-0.8 -0.908 86.0-103.8-136.6 165.1 -38.5 -48.4 26.0 661 687 A L H >> S+ 0 0 1 -37,-0.5 4,-2.1 -2,-0.3 3,-0.9 0.861 114.9 67.6 -59.0 -35.1 -39.6 -44.9 24.9 662 688 A E H 3> S+ 0 0 28 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.734 93.0 59.9 -58.9 -25.6 -40.8 -44.1 28.4 663 689 A D H <> S+ 0 0 0 -3,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.898 105.7 47.2 -67.2 -42.1 -37.2 -44.2 29.6 664 690 A I H S- 0 0 93 -2,-1.7 4,-2.1 0, 0.0 5,-0.1 -0.890 95.6 -63.4-174.2 152.0 -31.7 -30.8 34.6 673 699 A P T 4 S+ 0 0 116 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.228 119.6 20.2 -48.5 126.1 -30.5 -29.0 37.8 674 700 A G T >4 S+ 0 0 29 1,-0.1 3,-1.2 0, 0.0 4,-0.2 -0.796 125.5 43.7 114.9 -88.8 -32.8 -30.1 40.6 675 701 A P G >4 S+ 0 0 4 0, 0.0 3,-3.1 0, 0.0 4,-0.4 0.736 89.3 95.4 -61.8 -19.8 -34.4 -33.4 39.6 676 702 A M G >< S+ 0 0 80 -4,-2.1 3,-1.5 1,-0.3 -6,-0.1 0.798 76.6 61.2 -34.2 -43.3 -31.0 -34.4 38.3 677 703 A E G <> S+ 0 0 141 -3,-1.2 4,-0.5 1,-0.3 -1,-0.3 0.720 91.2 64.7 -63.9 -25.7 -30.4 -36.2 41.6 678 704 A H H <> S+ 0 0 40 -3,-3.1 4,-2.1 1,-0.2 -1,-0.3 0.599 83.5 81.0 -75.4 -8.6 -33.4 -38.6 41.2 679 705 A I H <> S+ 0 0 9 -3,-1.5 4,-2.8 -4,-0.4 -1,-0.2 0.885 84.9 53.4 -70.1 -42.7 -31.6 -40.3 38.2 680 706 A P H > S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.929 111.6 48.1 -55.5 -44.5 -29.3 -42.6 40.1 681 707 A T H X S+ 0 0 34 -4,-0.5 4,-2.0 1,-0.2 5,-0.2 0.945 111.0 51.2 -57.8 -49.7 -32.3 -43.9 42.0 682 708 A Y H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.896 111.0 49.4 -52.1 -46.3 -34.1 -44.3 38.7 683 709 A I H X S+ 0 0 33 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.922 109.2 47.8 -64.5 -50.2 -31.2 -46.3 37.2 684 710 A R H <>S+ 0 0 112 -4,-2.4 5,-2.4 1,-0.2 6,-0.3 0.862 117.4 44.7 -61.9 -35.3 -30.7 -48.8 40.1 685 711 A R H ><5S+ 0 0 59 -4,-2.0 3,-1.2 -5,-0.2 5,-0.3 0.882 113.5 50.4 -73.7 -40.8 -34.4 -49.4 40.0 686 712 A H H 3<5S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.865 105.5 56.2 -63.3 -38.9 -34.4 -49.6 36.2 687 713 A H T 3<5S- 0 0 78 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.432 117.7-114.4 -72.9 1.5 -31.4 -52.1 36.3 688 714 A G T < 5S+ 0 0 66 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.904 87.7 112.1 63.7 44.4 -33.6 -54.4 38.5 689 715 A Q < + 0 0 154 -5,-2.4 -4,-0.2 1,-0.2 -5,-0.1 0.132 67.3 49.3-132.7 18.5 -31.3 -54.0 41.5 690 716 A E S S- 0 0 58 -6,-0.3 -1,-0.2 -5,-0.3 -2,-0.2 -0.853 82.2-119.5-157.4 121.2 -33.5 -52.0 43.9 691 717 A P - 0 0 114 0, 0.0 2,-0.8 0, 0.0 -6,-0.0 -0.252 18.0-132.1 -59.0 146.3 -37.1 -52.7 44.9 692 718 A V - 0 0 32 -7,-0.1 2,-0.4 2,-0.0 21,-0.1 -0.902 39.1-179.9 -98.0 102.3 -39.7 -50.1 44.2 693 719 A S - 0 0 88 -2,-0.8 3,-0.2 1,-0.1 0, 0.0 -0.874 34.1-174.4-118.2 145.5 -41.6 -49.9 47.5 694 720 A Y > + 0 0 18 -2,-0.4 3,-1.9 1,-0.1 7,-0.2 -0.145 42.7 131.3-121.4 32.9 -44.5 -47.8 48.8 695 721 A A T 3 + 0 0 76 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.742 63.3 66.9 -61.6 -26.8 -44.4 -48.9 52.4 696 722 A E T 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.2 78,-0.1 0.589 112.4 33.2 -72.4 -12.5 -44.6 -45.3 53.7 697 723 A F S X> S+ 0 0 13 -3,-1.9 4,-1.3 1,-0.1 3,-0.5 -0.519 70.5 162.5-139.1 68.5 -48.1 -45.1 52.3 698 724 A P T 34 S+ 0 0 72 0, 0.0 4,-0.3 0, 0.0 -2,-0.1 0.826 79.8 44.7 -61.1 -34.3 -49.6 -48.7 52.7 699 725 A H T 34 S+ 0 0 99 1,-0.2 3,-0.2 2,-0.1 68,-0.2 0.688 115.4 47.5 -83.2 -20.2 -53.2 -47.5 52.4 700 726 A A T X> S+ 0 0 0 -3,-0.5 3,-2.4 -6,-0.2 4,-2.1 0.566 85.0 93.7 -92.7 -12.4 -52.4 -45.3 49.4 701 727 A E H 3X S+ 0 0 73 -4,-1.3 4,-2.5 1,-0.3 -1,-0.1 0.830 74.3 64.9 -51.1 -41.0 -50.4 -48.0 47.5 702 728 A K H 34 S+ 0 0 128 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.705 114.4 32.8 -58.0 -20.5 -53.4 -49.1 45.6 703 729 A Y H <> S+ 0 0 40 -3,-2.4 4,-0.8 2,-0.1 -2,-0.2 0.768 117.1 54.0-101.2 -36.6 -53.5 -45.7 43.9 704 730 A L H X S+ 0 0 2 -4,-2.1 4,-3.1 -7,-0.2 3,-0.5 0.898 100.8 58.2 -67.5 -45.4 -49.7 -44.9 43.8 705 731 A R H X S+ 0 0 88 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.947 102.3 50.2 -54.6 -58.0 -48.5 -48.1 42.0 706 732 A P H 4 S+ 0 0 96 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.788 120.2 39.4 -55.1 -28.9 -50.5 -47.8 38.8 707 733 A I H < S+ 0 0 11 -4,-0.8 -2,-0.2 -3,-0.5 3,-0.2 0.935 124.6 32.8 -82.7 -52.2 -49.3 -44.2 38.4 708 734 A L H ><>S+ 0 0 3 -4,-3.1 5,-3.3 1,-0.2 3,-0.6 0.463 97.3 81.5 -93.2 -4.0 -45.7 -44.4 39.6 709 735 A D G ><5S+ 0 0 70 -4,-2.6 3,-2.4 -5,-0.3 -1,-0.2 0.966 85.1 60.9 -64.3 -51.9 -44.8 -47.9 38.4 710 736 A E G 3 5S+ 0 0 48 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.724 116.4 34.7 -41.2 -25.8 -44.2 -46.7 34.8 711 737 A T G X 5S- 0 0 1 -3,-0.6 3,-1.6 -4,-0.1 -1,-0.3 -0.079 119.9-100.4-130.8 33.2 -41.5 -44.5 36.4 712 738 A Y T < 5S- 0 0 35 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.835 77.9 -56.6 49.1 47.8 -40.1 -46.6 39.2 713 739 A G T 3 S-t 787 0H 0 -3,-0.3 4,-1.3 69,-0.3 3,-0.5 -0.684 70.8-137.1-100.6 143.8 -44.5 -35.8 35.7 718 744 A Q H > S+ 0 0 32 69,-3.4 4,-2.5 -2,-0.3 3,-0.3 0.891 110.3 58.9 -55.5 -41.3 -46.9 -33.1 36.7 719 745 A E H > S+ 0 0 1 68,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.833 99.3 57.3 -58.2 -35.2 -49.6 -35.4 35.3 720 746 A Q H > S+ 0 0 8 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.895 108.6 45.8 -64.8 -40.1 -48.5 -38.1 37.8 721 747 A I H X S+ 0 0 3 -4,-1.3 4,-2.8 -3,-0.3 5,-0.3 0.958 109.6 53.8 -65.8 -51.2 -49.2 -35.7 40.7 722 748 A M H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.909 111.5 46.1 -49.8 -47.4 -52.5 -34.6 39.3 723 749 A Q H X S+ 0 0 48 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.921 110.4 52.4 -64.4 -45.5 -53.6 -38.2 39.1 724 750 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.958 114.8 42.2 -53.2 -54.6 -52.3 -39.0 42.6 725 751 A A H X S+ 0 0 0 -4,-2.8 6,-1.1 1,-0.2 4,-0.8 0.770 114.4 52.4 -64.9 -29.6 -54.3 -36.1 44.1 726 752 A S H < S+ 0 0 21 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.810 118.4 34.6 -77.0 -30.8 -57.3 -36.9 42.0 727 753 A Q H < S+ 0 0 65 -4,-2.4 -2,-0.2 -3,-0.3 -3,-0.2 0.879 122.7 40.8 -91.7 -44.5 -57.5 -40.5 43.0 728 754 A V H < S+ 0 0 3 -4,-3.0 38,-0.3 -5,-0.3 37,-0.3 0.946 127.5 32.1 -69.2 -48.9 -56.4 -40.4 46.7 729 755 A A S < S- 0 0 10 -4,-0.8 -1,-0.2 -5,-0.4 -3,-0.2 0.621 105.0-120.6 -85.2 -15.4 -58.3 -37.2 47.6 730 756 A G + 0 0 43 1,-0.2 -4,-0.2 -4,-0.2 -3,-0.1 0.521 57.4 160.2 83.4 6.1 -61.2 -37.7 45.2 731 757 A Y - 0 0 10 -6,-1.1 2,-0.3 1,-0.1 -1,-0.2 -0.154 49.3-103.7 -53.1 148.5 -60.4 -34.4 43.5 732 758 A S >> - 0 0 43 1,-0.1 4,-2.4 -5,-0.0 3,-0.9 -0.594 31.4-120.7 -67.3 139.2 -61.6 -33.6 40.0 733 759 A L H 3> S+ 0 0 40 1,-0.3 4,-1.0 -2,-0.3 -1,-0.1 0.850 117.5 53.5 -55.2 -34.1 -58.7 -34.1 37.6 734 760 A G H 3> S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.825 107.0 50.8 -65.2 -35.4 -59.3 -30.4 36.7 735 761 A E H <> S+ 0 0 44 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.872 102.3 59.5 -70.8 -38.7 -59.0 -29.4 40.4 736 762 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.823 102.2 55.9 -57.9 -32.3 -55.8 -31.4 40.8 737 763 A D H X S+ 0 0 0 -4,-1.0 4,-1.9 -5,-0.2 -1,-0.2 0.971 106.4 47.9 -60.4 -55.5 -54.5 -29.0 38.0 738 764 A L H X S+ 0 0 41 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.860 109.5 55.9 -51.4 -40.6 -55.4 -26.0 40.2 739 765 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.931 104.7 50.4 -59.1 -49.3 -53.7 -27.7 43.1 740 766 A R H X S+ 0 0 26 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.831 110.0 51.2 -58.5 -35.5 -50.5 -28.0 41.1 741 767 A R H X S+ 0 0 119 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.909 110.9 48.3 -65.6 -42.6 -50.7 -24.3 40.3 742 768 A A H X>S+ 0 0 9 -4,-2.2 4,-1.2 1,-0.2 5,-0.7 0.768 108.1 53.7 -70.8 -29.0 -51.2 -23.6 44.0 743 769 A M H <5S+ 0 0 8 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.846 112.2 46.7 -67.4 -36.6 -48.2 -25.8 44.9 744 770 A G H <5S+ 0 0 50 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.849 110.4 49.7 -75.3 -38.9 -46.2 -23.7 42.4 745 771 A K H <5S- 0 0 174 -4,-2.3 -1,-0.2 -5,-0.1 3,-0.2 0.808 91.3-153.0 -66.4 -31.6 -47.4 -20.3 43.7 746 772 A K T <5 - 0 0 121 -4,-1.2 2,-0.3 1,-0.2 -3,-0.1 0.884 13.8-158.6 54.8 44.8 -46.5 -21.5 47.2 747 773 A R >< - 0 0 150 -5,-0.7 4,-1.3 1,-0.1 3,-0.3 -0.378 23.1-114.3 -61.4 115.8 -49.2 -19.1 48.6 748 774 A V T 4 S- 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.632 93.9 -12.6 -14.1 -73.3 -48.2 -18.5 52.3 749 775 A E T >4 S+ 0 0 129 2,-0.1 3,-1.1 1,-0.1 4,-0.3 0.396 112.7 89.2-126.4 -1.4 -51.2 -20.1 54.0 750 776 A E T >> S+ 0 0 41 -3,-0.3 4,-0.8 1,-0.2 3,-0.8 0.664 81.3 70.9 -68.4 -16.6 -53.8 -20.7 51.2 751 777 A M H 3X S+ 0 0 25 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.797 87.0 62.5 -65.8 -31.4 -51.9 -24.0 50.9 752 778 A Q H <> S+ 0 0 121 -3,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.638 94.1 62.9 -71.2 -15.8 -53.4 -25.1 54.2 753 779 A K H <> S+ 0 0 141 -3,-0.8 4,-1.7 -4,-0.3 -1,-0.2 0.904 105.8 43.5 -71.8 -44.5 -56.9 -24.9 52.6 754 780 A H H X S+ 0 0 31 -4,-0.8 4,-2.9 -3,-0.2 -2,-0.2 0.831 108.3 61.7 -68.8 -35.4 -56.0 -27.7 50.1 755 781 A R H X S+ 0 0 54 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.951 107.7 41.0 -53.0 -56.6 -54.4 -29.7 52.9 756 782 A E H X S+ 0 0 118 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.899 116.3 50.4 -62.5 -42.3 -57.6 -30.0 54.9 757 783 A R H X S+ 0 0 97 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.869 111.3 50.1 -62.0 -39.3 -59.6 -30.6 51.7 758 784 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.976 111.4 45.5 -61.8 -58.8 -57.0 -33.3 50.7 759 785 A V H X S+ 0 0 10 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.856 108.8 58.9 -55.6 -42.7 -57.1 -35.2 54.1 760 786 A R H X S+ 0 0 162 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.963 114.1 35.0 -46.2 -63.3 -60.9 -35.0 54.1 761 787 A G H X S+ 0 0 6 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.761 114.8 59.9 -67.4 -27.9 -61.2 -36.9 50.7 762 788 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 3,-0.4 0.939 109.4 40.8 -65.9 -51.6 -58.2 -39.0 51.6 763 789 A K H < S+ 0 0 123 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.1 0.977 112.1 56.7 -54.9 -56.6 -59.8 -40.5 54.8 764 790 A E H < S+ 0 0 177 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.702 117.8 34.9 -50.6 -26.2 -63.2 -40.8 52.9 765 791 A R H < S- 0 0 122 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.902 130.5 -68.1 -95.1 -62.0 -61.4 -42.9 50.3 766 792 A G S < S+ 0 0 28 -4,-2.8 -66,-0.1 -38,-0.3 -4,-0.1 0.232 87.7 103.8-153.7 -73.9 -58.8 -44.9 52.2 767 793 A V - 0 0 4 -68,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.124 64.9-128.5 -39.3 133.0 -55.7 -43.5 53.9 768 794 A P - 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.428 43.3-113.9 -68.2 -0.8 -55.9 -43.2 57.7 769 795 A E S > S+ 0 0 72 1,-0.1 4,-1.8 -7,-0.1 5,-0.1 0.054 107.9 84.6 87.1 -21.2 -54.8 -39.5 57.4 770 796 A E H > S+ 0 0 124 2,-0.2 4,-0.8 3,-0.1 5,-0.1 0.891 102.0 38.5 -65.0 -43.0 -51.4 -40.0 59.2 771 797 A E H >> S+ 0 0 11 2,-0.2 4,-2.7 1,-0.1 3,-0.7 0.931 110.5 61.9 -68.2 -48.4 -50.3 -41.0 55.7 772 798 A A H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.3 0.898 103.2 47.2 -45.7 -57.7 -52.4 -38.3 54.0 773 799 A N H 3X S+ 0 0 57 -4,-1.8 4,-0.7 1,-0.3 -1,-0.3 0.806 118.9 41.2 -56.2 -34.0 -50.6 -35.4 55.7 774 800 A R H < S+ 0 0 55 -4,-1.1 3,-0.7 -5,-0.2 4,-0.3 0.941 116.3 34.8 -74.7 -50.4 -41.9 -31.9 47.4 782 808 A F H >< S+ 0 0 46 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.630 103.5 74.2 -81.9 -15.3 -42.0 -33.3 43.9 783 809 A A T 3< S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.635 85.7 66.9 -74.3 -14.3 -44.4 -30.6 42.5 784 810 A N T < S+ 0 0 76 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.876 117.0 22.5 -68.1 -38.4 -41.5 -28.2 42.5 785 811 A Y S < S+ 0 0 135 -3,-0.5 -2,-0.2 -4,-0.3 -1,-0.2 0.133 89.2 137.9-118.1 16.0 -39.6 -30.1 39.8 786 812 A G - 0 0 11 -4,-0.3 2,-0.3 -69,-0.1 -69,-0.3 -0.443 43.7-141.1 -67.6 136.0 -42.6 -31.9 38.3 787 813 A F B -t 717 0H 46 -71,-2.9 -69,-3.4 -2,-0.1 2,-0.9 -0.710 16.2-109.2-105.5 151.5 -42.4 -32.0 34.5 788 814 A N > - 0 0 17 -2,-0.3 4,-1.9 -71,-0.2 -385,-0.1 -0.678 30.6-165.1 -77.1 109.6 -45.1 -31.6 31.8 789 815 A K H > S+ 0 0 8 -2,-0.9 4,-3.8 2,-0.2 5,-0.3 0.848 81.3 60.6 -68.1 -38.6 -45.3 -35.1 30.4 790 816 A S H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.955 110.0 43.2 -55.3 -48.5 -47.2 -34.2 27.2 791 817 A H H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.937 116.5 47.6 -62.3 -45.3 -44.3 -32.0 26.2 792 818 A A H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.939 113.4 47.3 -60.0 -48.9 -41.7 -34.5 27.2 793 819 A A H X S+ 0 0 0 -4,-3.8 4,-1.6 2,-0.2 -2,-0.2 0.934 111.4 49.7 -60.4 -51.3 -43.4 -37.4 25.4 794 820 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.3 3,-0.5 0.943 115.5 43.1 -55.2 -51.1 -44.0 -35.6 22.2 795 821 A Y H >X S+ 0 0 14 -4,-2.2 4,-1.5 -5,-0.3 3,-1.3 0.927 105.8 62.3 -63.9 -41.7 -40.4 -34.4 22.0 796 822 A S H 3X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.3 -1,-0.2 0.841 96.1 61.9 -49.1 -39.0 -39.0 -37.8 23.0 797 823 A L H 3X S+ 0 0 15 -4,-1.6 4,-2.8 -3,-0.5 -1,-0.3 0.856 101.3 50.8 -58.6 -39.1 -40.6 -39.3 19.9 798 824 A L H S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.817 74.1 47.3 -64.3 -36.5 -26.2 -44.9 9.5 811 837 A V H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.956 114.8 43.9 -72.1 -51.8 -24.7 -43.7 6.1 812 838 A E H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.907 109.8 59.0 -60.0 -41.9 -27.8 -41.9 4.9 813 839 A F H X S+ 0 0 2 -4,-2.5 4,-2.2 -8,-0.2 3,-0.3 0.944 109.7 43.0 -46.0 -54.0 -28.1 -40.4 8.4 814 840 A M H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.867 112.2 52.5 -65.7 -39.3 -24.6 -38.9 8.0 815 841 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.764 109.4 50.6 -66.5 -27.4 -25.3 -37.8 4.4 816 842 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 -3,-0.3 -2,-0.2 0.877 107.3 52.9 -77.0 -38.5 -28.5 -36.0 5.7 817 843 A L H X S+ 0 0 20 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.907 113.6 44.6 -59.9 -40.8 -26.4 -34.3 8.4 818 844 A L H >< S+ 0 0 0 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.971 113.5 49.5 -64.7 -54.1 -24.1 -33.1 5.7 819 845 A S H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.901 108.4 52.9 -49.7 -49.7 -27.0 -32.1 3.4 820 846 A V H 3< S+ 0 0 12 -4,-3.0 -1,-0.2 1,-0.3 3,-0.2 0.812 120.7 31.4 -63.8 -32.5 -28.8 -30.1 6.1 821 847 A E T X< S+ 0 0 40 -4,-1.2 3,-1.6 -3,-0.6 7,-0.4 -0.108 78.9 130.7-115.7 36.5 -25.8 -28.0 7.0 822 848 A R T < + 0 0 65 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.716 68.0 58.0 -64.9 -22.8 -24.2 -28.0 3.5 823 849 A H T 3 S+ 0 0 163 -3,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.471 88.2 84.7 -88.8 -1.7 -23.7 -24.2 3.5 824 850 A D <> - 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0 0 43 1,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.209 59.1 -52.0 -74.3-162.7 -25.5 -41.9 -21.4 888 914 A P S S- 0 0 83 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.511 76.0 -86.4 -65.9 148.6 -22.8 -41.5 -18.8 889 915 A F - 0 0 8 -2,-0.2 3,-0.1 1,-0.1 -41,-0.1 -0.390 36.4-163.4 -65.8 130.0 -19.9 -39.3 -20.0 890 916 A K - 0 0 170 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.776 63.6 -21.3 -86.4 -32.2 -17.2 -41.2 -21.9 891 917 A S S > S- 0 0 21 1,-0.1 4,-1.6 0, 0.0 -1,-0.2 -0.940 72.1 -86.2-162.6 178.6 -14.3 -38.8 -21.8 892 918 A L H > S+ 0 0 4 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.883 127.5 49.1 -64.6 -40.6 -13.5 -35.1 -21.3 893 919 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.948 108.6 52.4 -61.2 -50.0 -14.1 -34.4 -25.0 894 920 A D H > S+ 0 0 23 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.823 110.7 50.3 -54.2 -35.4 -17.4 -36.2 -24.9 895 921 A F H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.923 110.4 48.2 -67.9 -45.8 -18.3 -33.9 -22.0 896 922 A L H < S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.800 113.2 44.8 -72.3 -32.7 -17.3 -30.7 -23.8 897 923 A K H < S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.798 114.1 50.2 -79.4 -30.8 -19.2 -31.4 -27.0 898 924 A R H < S+ 0 0 42 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.1 0.857 117.1 41.8 -73.7 -35.8 -22.3 -32.5 -25.2 899 925 A L S < S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.1 5,-0.1 -0.885 88.9-145.8-115.9 98.1 -22.3 -29.5 -23.0 900 926 A P >> - 0 0 34 0, 0.0 4,-1.9 0, 0.0 3,-1.7 -0.112 27.5-108.6 -59.7 160.2 -21.5 -26.3 -25.0 901 927 A E T 34 S+ 0 0 108 1,-0.3 5,-0.1 2,-0.2 8,-0.1 0.724 115.7 74.9 -61.3 -22.9 -19.5 -23.5 -23.4 902 928 A Q T 34 S+ 0 0 186 1,-0.1 -1,-0.3 2,-0.1 3,-0.2 0.822 109.9 25.8 -51.1 -38.5 -22.8 -21.6 -23.5 903 929 A V T <4 S+ 0 0 65 -3,-1.7 2,-0.8 1,-0.2 -2,-0.2 0.890 131.7 32.5 -99.0 -55.8 -24.0 -23.7 -20.5 904 930 A V S < S- 0 0 1 -4,-1.9 -1,-0.2 -8,-0.1 -2,-0.1 -0.821 86.0-157.3-108.0 89.6 -20.9 -24.8 -18.7 905 931 A N > - 0 0 73 -2,-0.8 4,-2.9 -3,-0.2 5,-0.2 -0.037 30.5 -99.7 -64.6 167.5 -18.4 -21.9 -19.1 906 932 A K H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.868 124.4 52.5 -58.2 -41.6 -14.6 -22.2 -18.9 907 933 A R H > S+ 0 0 158 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.940 112.2 46.9 -56.2 -48.5 -14.6 -20.8 -15.3 908 934 A A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -37,-0.2 0.944 109.7 52.2 -59.1 -52.6 -17.2 -23.5 -14.4 909 935 A L H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.866 106.2 56.3 -50.3 -41.8 -15.3 -26.3 -16.0 910 936 A E H X S+ 0 0 60 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.927 108.2 44.4 -61.2 -50.2 -12.1 -25.3 -14.1 911 937 A S H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.935 109.3 58.4 -57.6 -47.3 -13.7 -25.6 -10.7 912 938 A L H X>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 4,-0.9 0.844 109.1 44.2 -52.6 -42.2 -15.3 -28.9 -11.7 913 939 A V H ><5S+ 0 0 1 -4,-1.9 3,-0.8 4,-0.2 5,-0.3 0.948 113.3 51.2 -63.6 -51.3 -11.9 -30.4 -12.5 914 940 A K H 3<5S+ 0 0 24 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.775 105.8 55.8 -60.1 -31.6 -10.5 -28.9 -9.2 915 941 A A H 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.820 116.2-113.8 -68.5 -32.4 -13.3 -30.5 -7.2 916 942 A G T X<5S+ 0 0 4 -4,-0.9 3,-1.1 -3,-0.8 4,-0.2 0.468 79.1 129.7 104.7 10.8 -12.5 -33.9 -8.6 917 943 A A T 3 S+ 0 0 0 -6,-0.6 3,-2.0 -5,-0.3 -1,-0.3 0.198 78.0 115.7-119.2 12.8 -13.9 -35.1 -13.6 919 945 A D G X + 0 0 61 -3,-1.1 3,-1.6 1,-0.3 -2,-0.1 0.681 61.3 78.3 -57.9 -19.5 -11.3 -37.3 -12.1 920 946 A A G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.467 90.3 57.8 -67.2 -0.9 -12.8 -40.3 -14.0 921 947 A F G < S- 0 0 31 -3,-2.0 2,-0.3 1,-0.3 -1,-0.3 0.367 114.2 -98.7-113.8 2.4 -10.9 -38.9 -17.0 922 948 A G S < S+ 0 0 40 -3,-1.6 -1,-0.3 -4,-0.1 2,-0.1 -0.843 75.2 13.8 123.8-156.1 -7.3 -38.9 -15.7 923 949 A D > - 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