==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-AUG-08 3E7W . COMPND 2 MOLECULE: D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.YONUS,P.NEUMANN,S.ZIMMERMANN,J.J.MAY,M.A.MARAHIEL, . 508 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 13.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 33 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 0 1 1 0 2 4 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 5 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 PARALLEL BRIDGES PER LADDER . 4 1 2 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 2 1 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 1 A M 0 0 157 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.0 11.6 34.8 64.8 2 2 A K > - 0 0 47 1,-0.1 4,-2.0 3,-0.1 5,-0.2 -0.102 360.0-110.9 -48.9 150.1 12.6 36.5 61.5 3 3 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.911 117.6 48.5 -52.1 -49.8 15.8 35.1 60.0 4 4 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 110.3 50.0 -62.8 -41.0 17.8 38.3 60.7 5 5 A H H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.848 110.2 52.9 -66.6 -29.8 16.6 38.5 64.3 6 6 A A H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.883 108.6 48.2 -70.8 -39.8 17.6 34.8 64.7 7 7 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.880 113.0 48.6 -68.0 -38.5 21.1 35.5 63.4 8 8 A Q H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.911 108.9 54.0 -67.3 -41.2 21.5 38.5 65.7 9 9 A T H X S+ 0 0 46 -4,-2.2 4,-2.7 1,-0.2 3,-0.2 0.937 109.2 46.7 -58.2 -49.7 20.3 36.4 68.7 10 10 A H H X S+ 0 0 38 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.891 111.0 53.0 -59.6 -41.4 22.9 33.7 68.1 11 11 A A H < S+ 0 0 4 -4,-1.8 -1,-0.2 18,-0.2 -2,-0.2 0.816 113.6 43.1 -65.2 -31.3 25.6 36.3 67.7 12 12 A E H < S+ 0 0 128 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.851 125.2 34.1 -81.7 -36.0 24.6 37.9 71.0 13 13 A T H < S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.936 136.3 18.3 -83.9 -55.5 24.3 34.5 72.8 14 14 A Y S >< S+ 0 0 141 -4,-3.1 3,-1.4 -5,-0.2 15,-0.4 -0.570 73.2 160.9-118.0 67.7 26.9 32.3 71.2 15 15 A P T 3 S+ 0 0 32 0, 0.0 15,-2.2 0, 0.0 16,-0.4 0.850 71.7 49.2 -55.9 -40.8 29.2 35.0 69.6 16 16 A Q T 3 S+ 0 0 127 12,-0.2 2,-0.3 13,-0.2 -5,-0.1 0.371 82.1 107.9 -85.9 4.1 32.3 32.7 69.2 17 17 A T S < S- 0 0 61 -3,-1.4 12,-2.2 -7,-0.2 13,-0.3 -0.631 80.1-105.2 -80.5 141.9 30.6 29.7 67.6 18 18 A D E +A 28 0A 32 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.458 38.2 174.4 -70.1 137.3 31.5 29.4 63.9 19 19 A A E S+ 0 0 1 8,-3.0 193,-2.8 1,-0.3 2,-0.4 0.721 70.0 28.1-106.8 -36.0 28.8 30.5 61.4 20 20 A F E +Ab 27 212A 1 7,-2.0 7,-2.5 191,-0.2 2,-0.4 -0.977 57.2 178.9-134.6 141.4 30.9 30.1 58.2 21 21 A R E +Ab 26 213A 84 191,-1.2 193,-2.7 -2,-0.4 2,-0.3 -0.990 13.7 153.8-142.3 128.3 33.9 27.9 57.2 22 22 A S E > -Ab 25 214A 4 3,-2.9 3,-2.2 -2,-0.4 193,-0.1 -0.863 67.1 -18.7-160.7 123.2 35.6 27.9 53.8 23 23 A Q T 3 S- 0 0 99 191,-0.5 3,-0.1 1,-0.3 192,-0.1 0.922 128.3 -43.4 44.8 61.6 39.1 27.0 52.7 24 24 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.274 117.2 114.8 74.0 -13.7 40.7 27.3 56.1 25 25 A Q E < -A 22 0A 110 -3,-2.2 -3,-2.9 2,-0.0 2,-0.3 -0.715 43.6-172.4 -94.2 141.1 38.8 30.5 56.8 26 26 A S E -A 21 0A 64 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.968 10.3-164.2-132.7 148.7 36.2 30.8 59.6 27 27 A L E -A 20 0A 9 -7,-2.5 -8,-3.0 -2,-0.3 -7,-2.0 -0.978 16.0-142.4-135.1 117.3 33.7 33.5 60.6 28 28 A T E > -A 18 0A 12 -2,-0.4 4,-2.8 -10,-0.3 -10,-0.2 -0.298 29.0-108.6 -75.5 165.1 32.0 33.5 63.9 29 29 A Y H > S+ 0 0 0 -12,-2.2 4,-2.6 -15,-0.4 5,-0.2 0.834 122.3 51.8 -61.2 -32.2 28.4 34.6 64.3 30 30 A Q H > S+ 0 0 83 -15,-2.2 4,-3.0 -13,-0.3 5,-0.3 0.932 110.8 46.1 -70.1 -44.4 29.6 37.7 66.1 31 31 A E H > S+ 0 0 79 -16,-0.4 4,-2.2 2,-0.2 5,-0.3 0.895 113.9 51.0 -62.1 -39.9 32.0 38.5 63.3 32 32 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.959 116.0 38.9 -62.7 -53.4 29.2 37.8 60.8 33 33 A W H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.947 118.9 45.4 -64.6 -50.7 26.7 40.0 62.5 34 34 A E H X S+ 0 0 103 -4,-3.0 4,-1.2 -5,-0.2 -1,-0.2 0.876 117.1 46.5 -63.3 -35.4 29.1 42.8 63.4 35 35 A Q H X S+ 0 0 31 -4,-2.2 4,-2.5 -5,-0.3 3,-0.2 0.933 111.9 48.4 -73.1 -44.4 30.7 42.8 59.9 36 36 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.855 110.0 54.4 -64.5 -30.6 27.4 42.7 58.0 37 37 A D H X S+ 0 0 13 -4,-2.2 4,-1.3 -5,-0.2 97,-0.2 0.848 110.6 46.0 -68.9 -33.6 26.2 45.6 60.2 38 38 A R H X S+ 0 0 79 -4,-1.2 4,-2.6 -3,-0.2 -2,-0.2 0.857 112.1 49.5 -75.5 -38.8 29.3 47.6 59.2 39 39 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.914 107.8 55.5 -66.0 -41.9 28.9 46.7 55.5 40 40 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.898 110.3 45.8 -56.2 -42.2 25.3 47.8 55.7 41 41 A A H < S+ 0 0 9 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.938 112.4 49.6 -66.2 -47.8 26.5 51.1 57.0 42 42 A A H >< S+ 0 0 1 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.824 107.8 56.5 -61.0 -32.6 29.2 51.5 54.4 43 43 A I H >X S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 4,-1.3 0.898 96.7 60.3 -67.8 -43.0 26.7 50.6 51.7 44 44 A Q T 3< S+ 0 0 74 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.521 100.4 59.6 -65.6 -2.2 24.3 53.4 52.6 45 45 A K T <4 S+ 0 0 127 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.541 108.0 41.1-100.7 -11.3 27.1 55.9 51.9 46 46 A R T <4 S+ 0 0 89 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.634 117.5 33.2-110.9 -20.7 27.7 54.9 48.2 47 47 A I S < S- 0 0 18 -4,-1.3 2,-0.3 55,-0.0 -1,-0.1 -0.872 82.8-100.9-132.7 167.6 24.1 54.4 46.9 48 48 A S - 0 0 57 -2,-0.3 3,-0.5 1,-0.1 5,-0.4 -0.657 8.1-151.8 -93.3 143.5 20.7 56.0 47.4 49 49 A G S S+ 0 0 58 -2,-0.3 -1,-0.1 1,-0.2 -5,-0.0 0.364 76.3 100.6 -90.8 4.2 17.9 54.4 49.5 50 50 A E S S+ 0 0 168 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.911 91.7 27.9 -53.3 -44.7 15.4 56.2 47.3 51 51 A K S S- 0 0 125 -3,-0.5 2,-1.2 2,-0.0 0, 0.0 -0.744 85.5-117.3-114.1 163.8 14.9 52.9 45.5 52 52 A K + 0 0 119 -2,-0.3 -3,-0.1 25,-0.1 93,-0.1 -0.509 52.4 178.3 -95.7 61.7 15.3 49.3 46.7 53 53 A S - 0 0 6 -2,-1.2 47,-0.1 -5,-0.4 46,-0.1 -0.383 27.9-111.0 -68.5 142.7 18.0 48.9 44.1 54 54 A P - 0 0 7 0, 0.0 47,-0.9 0, 0.0 48,-0.6 -0.381 20.2-146.1 -75.1 154.2 19.8 45.5 44.0 55 55 A I E -hi 79 102B 0 23,-1.7 25,-2.3 45,-0.2 2,-0.2 -0.964 12.4-139.0-121.6 112.7 23.4 45.0 45.0 56 56 A L E -hi 80 103B 0 46,-1.9 48,-2.9 -2,-0.5 2,-0.6 -0.545 12.0-159.1 -71.8 135.6 25.4 42.4 43.1 57 57 A V E -hi 81 104B 0 23,-2.6 25,-2.8 -2,-0.2 2,-0.5 -0.962 15.0-165.7-117.5 109.5 27.6 40.4 45.4 58 58 A Y E +hi 82 105B 62 46,-3.8 48,-2.0 -2,-0.6 49,-0.5 -0.849 36.8 67.4-107.3 128.6 30.4 38.8 43.3 59 59 A G E -h 83 0B 2 23,-2.1 25,-0.9 -2,-0.5 26,-0.2 -0.962 69.7 -96.8 165.9-150.6 32.7 36.0 44.3 60 60 A H S S- 0 0 13 -2,-0.3 133,-0.5 23,-0.2 -1,-0.1 0.395 82.0 -34.3-126.4 -93.6 32.6 32.3 45.1 61 61 A M S S+ 0 0 4 131,-0.1 153,-0.1 4,-0.1 155,-0.1 -0.021 83.0 143.0-128.4 32.3 32.5 31.0 48.7 62 62 A E >> - 0 0 39 1,-0.1 3,-2.3 2,-0.0 4,-0.7 -0.356 64.0-115.8 -71.0 152.4 34.5 33.6 50.6 63 63 A P H 3> S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.830 116.2 65.1 -56.9 -28.4 33.3 34.6 54.1 64 64 A H H 3> S+ 0 0 45 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.623 86.9 69.8 -71.4 -13.1 32.8 38.0 52.5 65 65 A M H <> S+ 0 0 1 -3,-2.3 4,-2.4 2,-0.2 3,-0.2 0.985 107.5 34.7 -66.8 -56.0 30.0 36.7 50.3 66 66 A I H X S+ 0 0 1 -4,-0.7 4,-2.5 1,-0.2 5,-0.2 0.826 113.8 58.2 -69.1 -30.4 27.6 36.1 53.2 67 67 A V H X S+ 0 0 1 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.870 112.9 42.4 -64.9 -33.2 28.9 39.2 55.1 68 68 A S H X S+ 0 0 2 -4,-1.4 4,-2.3 -3,-0.2 -2,-0.2 0.844 109.2 56.1 -81.3 -36.4 27.9 41.1 52.0 69 69 A F H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 3,-0.2 0.977 114.1 41.3 -56.3 -54.5 24.6 39.3 51.4 70 70 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.796 109.9 59.0 -63.7 -32.6 23.6 40.3 55.0 71 71 A G H X S+ 0 0 0 -4,-1.1 4,-1.4 -5,-0.2 -1,-0.2 0.919 105.4 49.4 -64.6 -41.9 25.0 43.8 54.6 72 72 A S H X>S+ 0 0 0 -4,-2.3 5,-3.3 2,-0.2 4,-1.1 0.959 113.0 43.5 -62.5 -54.6 22.7 44.5 51.6 73 73 A V H <5S+ 0 0 0 -4,-1.8 67,-1.8 1,-0.2 3,-0.2 0.875 114.8 51.2 -61.2 -36.0 19.5 43.3 53.3 74 74 A K H <5S+ 0 0 0 -4,-2.0 -1,-0.2 65,-0.2 -2,-0.2 0.778 109.6 50.2 -72.8 -23.5 20.5 45.1 56.5 75 75 A A H <5S- 0 0 3 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.654 127.7-101.5 -84.6 -16.2 21.1 48.3 54.5 76 76 A G T <5S+ 0 0 2 -4,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.634 85.1 113.9 105.4 17.8 17.7 47.9 52.9 77 77 A H < - 0 0 4 -5,-3.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.971 62.8-127.6-125.2 134.6 18.7 46.4 49.5 78 78 A P - 0 0 4 0, 0.0 -23,-1.7 0, 0.0 2,-0.3 -0.449 32.9-135.6 -70.7 152.7 18.0 43.0 48.0 79 79 A Y E -hj 55 147B 4 67,-1.6 69,-2.3 -25,-0.2 -23,-0.2 -0.833 7.8-146.9-112.7 152.7 21.2 41.4 46.8 80 80 A I E -h 56 0B 2 -25,-2.3 -23,-2.6 -2,-0.3 2,-0.3 -0.963 20.2-143.5-115.2 109.4 21.9 39.5 43.6 81 81 A P E -h 57 0B 4 0, 0.0 2,-0.4 0, 0.0 69,-0.3 -0.578 18.9-172.9 -75.8 135.9 24.5 36.7 44.2 82 82 A V E -h 58 0B 1 -25,-2.8 -23,-2.1 -2,-0.3 111,-0.1 -0.950 11.0-148.3-134.9 115.3 26.9 36.2 41.3 83 83 A D E > -h 59 0B 3 -2,-0.4 3,-1.6 -25,-0.2 -23,-0.2 -0.344 28.4-118.0 -77.0 159.5 29.4 33.4 41.1 84 84 A L T 3 S+ 0 0 76 -25,-0.9 -1,-0.1 1,-0.3 -24,-0.1 0.724 113.2 76.1 -66.3 -18.6 32.8 33.8 39.4 85 85 A S T 3 S+ 0 0 45 -26,-0.2 386,-0.4 2,-0.1 -1,-0.3 0.777 77.0 85.8 -61.6 -27.7 31.3 31.0 37.2 86 86 A I S < S- 0 0 18 -3,-1.6 383,-0.1 384,-0.1 5,-0.0 -0.693 82.5-129.0 -84.6 115.0 29.1 33.7 35.5 87 87 A P >> - 0 0 18 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.202 21.7-103.0 -64.9 150.7 30.9 35.5 32.6 88 88 A S H 3> S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 380,-0.1 0.717 115.8 48.6 -41.2 -45.8 31.3 39.2 32.1 89 89 A E H 3> S+ 0 0 107 378,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.912 113.0 48.5 -69.3 -40.3 28.7 39.8 29.4 90 90 A R H <> S+ 0 0 15 377,-0.7 4,-2.1 -3,-0.7 -2,-0.2 0.924 111.8 50.4 -63.2 -42.8 26.1 37.9 31.3 91 91 A I H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.896 107.7 54.0 -60.1 -40.2 27.0 39.9 34.4 92 92 A A H X S+ 0 0 41 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.856 107.7 51.0 -62.4 -34.0 26.6 43.0 32.3 93 93 A K H X S+ 0 0 71 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.889 108.2 50.1 -71.3 -39.7 23.1 41.9 31.4 94 94 A I H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 6,-0.3 0.937 112.3 48.4 -63.8 -44.8 22.1 41.3 35.0 95 95 A I H X>S+ 0 0 14 -4,-2.4 4,-1.7 1,-0.2 5,-0.6 0.966 110.1 53.0 -56.4 -54.6 23.4 44.7 35.9 96 96 A E H <5S+ 0 0 132 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 118.0 32.3 -51.3 -48.8 21.5 46.3 33.0 97 97 A S H <5S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.711 114.0 59.4 -87.3 -18.1 18.1 44.9 33.7 98 98 A S H <5S- 0 0 9 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.776 93.1-136.1 -79.5 -27.4 18.4 44.8 37.5 99 99 A G T <5 + 0 0 45 -4,-1.7 -3,-0.1 1,-0.2 -4,-0.1 0.607 41.6 170.5 79.2 11.3 19.0 48.5 37.9 100 100 A A < - 0 0 10 -5,-0.6 -1,-0.2 -6,-0.3 -45,-0.2 -0.289 23.0-170.3 -58.3 136.8 21.7 47.6 40.4 101 101 A E + 0 0 78 -47,-0.9 18,-0.4 1,-0.2 2,-0.3 0.251 66.1 43.4-113.8 9.9 23.8 50.6 41.4 102 102 A L E -i 55 0B 0 -48,-0.6 -46,-1.9 16,-0.1 2,-0.4 -0.978 55.1-167.1-156.9 141.9 26.5 48.8 43.3 103 103 A L E -ik 56 120B 9 16,-2.0 18,-2.4 -2,-0.3 2,-0.5 -0.996 8.4-168.3-134.0 124.4 28.6 45.6 42.9 104 104 A I E -ik 57 121B 0 -48,-2.9 -46,-3.8 -2,-0.4 2,-0.5 -0.947 5.6-158.8-114.1 132.0 30.7 44.2 45.7 105 105 A H E -ik 58 122B 21 16,-1.8 18,-2.0 -2,-0.5 19,-0.3 -0.966 13.2-145.5-113.2 124.7 33.2 41.5 45.1 106 106 A A S S+ 0 0 8 -48,-2.0 2,-0.2 -2,-0.5 -42,-0.2 0.730 81.9 64.0 -58.0 -26.6 34.2 39.4 48.2 107 107 A A S S- 0 0 44 -49,-0.5 16,-0.2 1,-0.1 3,-0.2 -0.567 102.9 -82.0 -98.5 164.4 37.8 39.1 46.9 108 108 A G S S- 0 0 53 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.350 75.7 -64.7 -62.8 144.7 40.4 41.8 46.4 109 109 A L - 0 0 114 1,-0.1 -1,-0.2 -4,-0.1 3,-0.1 0.010 63.3-121.3 -33.1 102.9 40.0 43.7 43.1 110 110 A S > - 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L 0 159B 15 8,-2.4 8,-2.0 -2,-0.4 257,-0.1 -0.744 42.5 -58.8-125.8 175.2 18.0 32.0 35.9 152 152 A S - 0 0 1 -2,-0.2 2,-0.4 255,-0.2 -1,-0.1 -0.212 45.1-155.3 -57.7 142.7 17.9 31.2 32.2 153 153 A G > - 0 0 1 256,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.990 15.0-141.7-124.6 125.3 15.5 33.2 30.0 154 154 A S T 3 S+ 0 0 49 -2,-0.4 261,-0.1 1,-0.3 -1,-0.1 0.715 99.5 66.4 -58.6 -21.1 14.2 31.7 26.7 155 155 A T T 3 S- 0 0 86 2,-0.3 -1,-0.3 1,-0.0 257,-0.1 0.370 124.9 -97.8 -82.8 6.5 14.4 35.2 25.1 156 156 A G S < S+ 0 0 0 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.0 0.596 96.8 90.3 91.5 12.3 18.2 35.0 25.4 157 157 A N S S- 0 0 54 -4,-0.3 -2,-0.3 -64,-0.0 -1,-0.1 -0.979 80.5-106.2-144.3 127.0 18.6 37.1 28.5 158 158 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.171 31.5-146.8 -52.9 138.2 18.6 36.0 32.2 159 159 A K E -L 151 0B 28 -8,-2.0 -8,-2.4 -10,-0.0 2,-0.6 -0.834 12.3-127.0-106.8 146.2 15.5 36.8 34.2 160 160 A G E -L 150 0B 1 199,-0.4 199,-2.3 -2,-0.3 2,-0.4 -0.841 9.8-148.9-105.4 115.1 15.6 37.6 37.9 161 161 A V E -LM 149 358B 0 -12,-2.8 -12,-1.7 -2,-0.6 2,-0.7 -0.626 15.3-144.7 -77.6 124.9 13.5 35.8 40.4 162 162 A Q E -L 148 0B 25 195,-1.5 194,-0.7 -2,-0.4 2,-0.6 -0.824 14.6-170.7 -95.2 113.2 12.6 38.1 43.3 163 163 A I E -L 147 0B 0 -16,-2.8 -17,-2.8 -2,-0.7 -16,-2.0 -0.918 11.3-152.6-106.7 115.3 12.4 36.3 46.7 164 164 A S E > -L 145 0B 7 -2,-0.6 4,-2.4 -19,-0.3 -19,-0.2 -0.431 29.5-106.5 -82.0 162.3 11.0 38.5 49.4 165 165 A A H > S+ 0 0 1 -21,-1.7 4,-4.2 1,-0.2 5,-0.3 0.958 124.0 52.7 -52.0 -54.4 11.9 38.0 53.1 166 166 A A H > S+ 0 0 33 -24,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.895 108.1 52.5 -47.9 -46.7 8.4 36.5 53.7 167 167 A N H > S+ 0 0 11 -25,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.956 116.1 38.2 -52.1 -57.7 9.1 34.1 50.8 168 168 A L H X S+ 0 0 0 -4,-2.4 4,-3.9 1,-0.2 5,-0.2 0.895 113.0 56.0 -62.8 -44.5 12.4 33.0 52.3 169 169 A Q H X S+ 0 0 26 -4,-4.2 4,-2.5 1,-0.2 -1,-0.2 0.878 107.3 50.8 -57.8 -37.6 11.1 33.1 55.8 170 170 A S H X S+ 0 0 14 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.903 114.1 44.1 -66.3 -41.9 8.4 30.7 54.7 171 171 A F H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.952 114.8 48.7 -65.1 -51.8 10.9 28.4 53.2 172 172 A T H X S+ 0 0 0 -4,-3.9 4,-2.3 1,-0.2 5,-0.2 0.872 108.9 51.1 -58.6 -43.0 13.3 28.6 56.1 173 173 A D H X S+ 0 0 81 -4,-2.5 4,-1.4 -5,-0.2 5,-0.3 0.887 110.8 51.6 -63.1 -38.2 10.6 27.9 58.8 174 174 A W H X S+ 0 0 14 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.939 113.0 42.4 -63.4 -50.2 9.6 24.8 56.8 175 175 A I H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 6,-0.4 0.971 113.8 50.1 -61.4 -58.1 13.1 23.4 56.5 176 176 A C H < S+ 0 0 21 -4,-2.3 6,-0.3 1,-0.2 -1,-0.2 0.746 121.1 34.6 -53.6 -29.2 14.2 24.1 60.1 177 177 A A H < S+ 0 0 74 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.915 120.4 39.7 -94.6 -52.6 11.0 22.5 61.5 178 178 A D H < S+ 0 0 94 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.1 0.319 109.7 63.1 -83.7 7.7 10.0 19.6 59.3 179 179 A F S >< S- 0 0 5 -4,-1.1 2,-2.7 -5,-0.2 3,-0.9 -0.987 87.7-115.5-133.4 144.7 13.5 18.2 58.7 180 180 A P T 3 S+ 0 0 48 0, 0.0 -4,-0.1 0, 0.0 108,-0.1 -0.156 88.0 103.1 -70.4 47.6 16.1 16.8 61.1 181 181 A V T 3> + 0 0 0 -2,-2.7 4,-0.6 -6,-0.4 3,-0.2 0.560 53.8 98.3-106.0 -10.7 18.4 19.7 60.4 182 182 A S T <4 + 0 0 63 -3,-0.9 27,-0.1 -6,-0.3 23,-0.0 -0.214 47.4 75.2 -71.4 166.3 17.8 21.6 63.6 183 183 A G T 4 S- 0 0 74 25,-0.3 -1,-0.2 2,-0.1 26,-0.1 0.560 114.3 -72.8 107.8 10.4 20.1 21.4 66.5 184 184 A G T 4 S+ 0 0 42 24,-0.4 2,-0.1 -3,-0.2 -2,-0.1 0.967 77.1 171.6 69.0 53.4 23.1 23.5 65.4 185 185 A K < - 0 0 39 -4,-0.6 26,-2.0 25,-0.1 2,-0.7 -0.426 40.1-100.5 -92.7 168.2 24.5 21.1 62.9 186 186 A I E -c 211 0A 33 48,-0.3 50,-2.7 24,-0.2 51,-2.1 -0.801 40.4-159.3 -90.6 117.0 27.3 21.5 60.4 187 187 A F E -cd 212 237A 1 24,-2.4 26,-3.7 -2,-0.7 2,-0.2 -0.831 8.6-137.2-102.5 135.3 25.8 22.1 56.9 188 188 A L E -c 213 0A 0 49,-2.3 2,-0.4 -2,-0.4 51,-0.3 -0.604 12.3-163.9 -84.2 145.5 27.7 21.5 53.7 189 189 A N E +c 214 0A 0 24,-1.9 26,-1.8 -2,-0.2 51,-0.1 -0.970 26.6 150.0-128.9 115.9 27.4 24.1 50.9 190 190 A Q + 0 0 26 49,-0.7 50,-0.1 -2,-0.4 -1,-0.1 0.701 50.9 83.2-111.1 -40.8 28.5 22.8 47.5 191 191 A A S S- 0 0 5 48,-0.4 24,-0.1 1,-0.1 48,-0.0 -0.409 87.1-111.7 -70.0 137.4 26.3 24.9 45.2 192 192 A P > - 0 0 20 0, 0.0 3,-2.0 0, 0.0 6,-0.4 -0.359 29.0-114.0 -63.8 152.8 27.5 28.4 44.4 193 193 A F T 3 S+ 0 0 5 -133,-0.5 6,-0.1 1,-0.3 -2,-0.1 0.581 110.9 77.2 -68.9 -6.6 25.3 31.1 45.9 194 194 A S T 3 S+ 0 0 11 -114,-0.1 2,-0.4 -45,-0.1 -1,-0.3 0.595 90.2 64.4 -75.6 -13.4 24.3 32.1 42.4 195 195 A F S X S- 0 0 53 -3,-2.0 3,-1.4 1,-0.1 4,-0.3 -0.941 84.9-135.8-110.5 135.2 22.0 29.0 42.4 196 196 A D T >> S+ 0 0 21 -2,-0.4 3,-1.1 1,-0.3 4,-0.7 0.638 94.9 81.2 -68.9 -13.7 19.1 28.9 45.0 197 197 A L H >> S+ 0 0 12 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.881 84.7 64.0 -58.2 -33.0 19.8 25.3 45.9 198 198 A S H X> S+ 0 0 1 -3,-1.4 4,-3.2 -6,-0.4 3,-1.8 0.870 91.1 64.5 -56.5 -37.1 22.5 26.9 48.1 199 199 A V H <> S+ 0 0 2 -3,-1.1 4,-1.0 -4,-0.3 -1,-0.3 0.796 86.4 71.3 -58.2 -28.8 19.7 28.6 50.0 200 200 A M H << S+ 0 0 3 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.823 117.5 19.6 -59.5 -29.7 18.5 25.2 51.1 201 201 A D H S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 6,-0.3 0.920 113.5 48.8 -62.4 -32.0 18.2 27.1 57.4 205 205 A C H <>S+ 0 0 0 -4,-1.7 5,-2.4 2,-0.2 4,-0.5 0.960 114.0 43.9 -65.7 -51.2 21.7 26.7 58.8 206 206 A L H ><5S+ 0 0 0 -4,-1.9 3,-0.8 -5,-0.3 -1,-0.2 0.898 114.8 48.9 -62.6 -40.0 22.0 30.4 59.8 207 207 A Q H 3<5S+ 0 0 25 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.8 46.6 -67.4 -37.8 18.5 30.5 61.2 208 208 A S T 3<5S- 0 0 24 -4,-2.1 -24,-0.4 -5,-0.3 -25,-0.3 0.381 115.0-112.6 -85.8 3.5 19.1 27.3 63.3 209 209 A G T < 5 + 0 0 18 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.649 68.5 143.7 77.1 14.5 22.5 28.4 64.6 210 210 A G < - 0 0 0 -5,-2.4 2,-0.5 -6,-0.3 -24,-0.2 -0.006 53.0-107.9 -75.5-174.6 24.4 25.8 62.6 211 211 A T E - c 0 186A 20 -26,-2.0 -24,-2.4 2,-0.0 2,-0.3 -0.981 24.9-141.3-121.1 120.5 27.8 26.1 61.0 212 212 A L E -bc 20 187A 0 -193,-2.8 -191,-1.2 -2,-0.5 2,-0.5 -0.624 13.9-165.2 -81.3 136.8 28.0 26.3 57.2 213 213 A H E -bc 21 188A 12 -26,-3.7 -24,-1.9 -2,-0.3 -191,-0.2 -0.909 7.8-155.5-127.3 105.9 31.0 24.4 55.6 214 214 A C E -bc 22 189A 1 -193,-2.7 -191,-0.5 -2,-0.5 2,-0.5 -0.461 12.4-162.3 -83.1 149.8 31.8 25.2 52.0 215 215 A V - 0 0 1 -26,-1.8 -193,-0.0 -2,-0.2 11,-0.0 -0.957 26.5-151.6-128.8 104.5 33.6 23.1 49.4 216 216 A T > - 0 0 3 -2,-0.5 4,-1.7 1,-0.1 3,-0.1 -0.123 30.2 -94.6 -75.0 171.5 34.8 25.4 46.6 217 217 A K H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.765 121.3 61.4 -58.2 -28.1 35.4 24.7 42.9 218 218 A D H >> S+ 0 0 88 1,-0.2 4,-1.0 2,-0.2 3,-0.9 0.984 109.0 38.9 -61.7 -58.4 39.1 24.1 43.7 219 219 A A H 34 S+ 0 0 7 1,-0.2 7,-0.7 2,-0.2 -1,-0.2 0.749 108.9 66.3 -63.6 -25.5 38.4 21.1 45.9 220 220 A V H 3< S+ 0 0 28 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.820 102.2 44.8 -68.1 -32.1 35.6 19.9 43.6 221 221 A N H << S+ 0 0 129 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.760 106.0 61.7 -84.5 -26.6 38.0 19.1 40.7 222 222 A K S >X S- 0 0 95 -4,-1.0 4,-2.3 1,-0.2 3,-0.7 -0.790 71.3-164.1-104.9 89.2 40.7 17.4 42.8 223 223 A P H 3> S+ 0 0 65 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.784 87.2 53.8 -36.1 -49.7 38.8 14.3 44.2 224 224 A K H 3> S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.949 111.2 44.9 -55.9 -53.0 41.5 13.7 46.8 225 225 A V H <> S+ 0 0 50 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.902 113.9 51.1 -59.2 -43.6 41.4 17.2 48.1 226 226 A L H X S+ 0 0 6 -4,-2.3 4,-3.2 -7,-0.7 5,-0.3 0.970 110.3 46.1 -59.2 -58.0 37.6 17.2 48.1 227 227 A F H X S+ 0 0 25 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.824 113.3 53.0 -56.2 -30.9 37.2 13.9 50.1 228 228 A E H X S+ 0 0 129 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.963 110.5 44.5 -68.8 -52.4 39.9 15.3 52.5 229 229 A E H X S+ 0 0 30 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.893 116.0 48.2 -57.6 -41.8 38.0 18.6 53.1 230 230 A L H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 5,-0.5 0.900 108.5 55.8 -65.7 -39.3 34.8 16.5 53.5 231 231 A K H < S+ 0 0 119 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.885 115.3 36.8 -59.1 -42.4 36.6 14.2 55.8 232 232 A K H < S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 100.6 76.9 -81.2 -33.1 37.6 17.1 58.1 233 233 A S H < S- 0 0 5 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.816 79.1-153.9 -46.6 -40.3 34.4 19.0 57.7 234 234 A G < - 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0 0 96 -2,-0.3 -3,-0.1 1,-0.1 -28,-0.1 -0.330 42.0-143.2 -57.0 127.0 15.7 14.2 39.4 272 272 A L - 0 0 5 46,-0.1 46,-0.3 -5,-0.1 -1,-0.1 -0.853 23.8-133.5 -95.8 104.3 17.1 12.1 42.2 273 273 A P > - 0 0 32 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.259 8.3-128.1 -59.4 141.6 17.9 8.7 40.5 274 274 A V H > S+ 0 0 37 42,-0.3 4,-3.8 1,-0.2 5,-0.2 0.889 111.5 58.5 -56.0 -38.2 16.8 5.5 42.3 275 275 A S H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 106.3 46.7 -60.1 -40.8 20.3 4.3 41.9 276 276 A V H > S+ 0 0 2 -3,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.946 116.9 42.6 -67.2 -48.5 21.7 7.3 43.9 277 277 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.950 114.8 51.4 -60.5 -49.8 19.1 7.0 46.6 278 278 A K H X S+ 0 0 132 -4,-3.8 4,-0.6 -5,-0.2 -2,-0.2 0.954 113.9 44.2 -50.9 -55.2 19.5 3.2 46.7 279 279 A A H >X S+ 0 0 21 -4,-2.7 4,-2.2 -5,-0.2 3,-1.6 0.918 110.5 52.9 -58.3 -50.1 23.3 3.6 47.0 280 280 A L H 3X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.3 -1,-0.2 0.876 104.2 57.2 -55.6 -38.8 23.2 6.3 49.6 281 281 A L H 3< S+ 0 0 34 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.714 111.4 46.1 -64.5 -19.0 20.9 4.2 51.8 282 282 A E H << S+ 0 0 154 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.897 116.8 36.3 -90.4 -50.5 23.7 1.6 51.6 283 283 A R H < S+ 0 0 65 -4,-2.2 -27,-2.7 1,-0.3 -26,-0.2 0.542 125.1 42.7 -83.5 -6.5 26.9 3.5 52.3 284 284 A F >< + 0 0 0 -4,-1.5 3,-1.4 -5,-0.3 -1,-0.3 -0.563 60.0 159.2-138.9 72.2 25.1 5.8 54.8 285 285 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.721 77.8 57.0 -65.8 -22.6 22.8 3.6 57.0 286 286 A K T 3 S+ 0 0 129 -24,-0.1 2,-0.4 -3,-0.1 -5,-0.1 0.439 97.0 78.4 -89.6 -0.5 22.9 6.4 59.7 287 287 A A < - 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0 0 14 -35,-0.6 -33,-0.5 1,-0.1 -5,-0.2 -0.608 28.1-177.4 -77.2 130.4 20.1 14.9 29.2 438 438 A E - 0 0 86 -7,-3.0 2,-0.3 1,-0.4 -1,-0.1 0.773 61.4 -31.1 -98.3 -35.8 23.8 13.8 28.7 439 439 A Y E -V 431 0F 44 -8,-0.6 -8,-2.8 2,-0.0 -1,-0.4 -0.966 62.8 -99.5-171.9 172.3 25.1 16.6 26.6 440 440 A L E -V 430 0F 2 -2,-0.3 37,-1.9 -10,-0.2 36,-0.6 -0.875 18.9-160.3-114.8 144.5 24.2 19.2 24.0 441 441 A I E -Vw 429 477F 1 -12,-2.9 -12,-3.9 -2,-0.4 2,-0.6 -0.979 12.3-147.2-120.7 127.2 24.7 19.2 20.3 442 442 A A E -Vw 428 478F 0 35,-3.1 37,-3.1 -2,-0.4 2,-0.9 -0.867 2.5-157.8-100.0 121.0 24.5 22.5 18.3 443 443 A A E -Vw 427 479F 0 -16,-3.6 -16,-2.0 -2,-0.6 2,-0.3 -0.855 27.2-173.9 -95.3 106.3 23.2 22.3 14.8 444 444 A I E -Vw 426 480F 0 35,-3.2 37,-2.4 -2,-0.9 -18,-0.2 -0.823 32.6-156.7-115.4 145.7 24.6 25.5 13.1 445 445 A V E -V 425 0F 17 -20,-2.5 -21,-2.8 -2,-0.3 -20,-1.6 -0.958 32.0-145.0-110.7 105.6 24.2 27.3 9.8 446 446 A P E -V 423 0F 33 0, 0.0 -23,-0.3 0, 0.0 3,-0.1 -0.460 6.6-136.6 -76.6 146.6 27.5 29.3 9.5 447 447 A E - 0 0 66 -25,-1.1 2,-0.2 1,-0.2 -25,-0.1 0.994 61.1 -67.0 -62.0 -69.5 27.6 32.7 7.9 448 448 A E + 0 0 171 -26,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.645 62.0 173.0 171.1 129.0 30.8 32.5 5.7 449 449 A H - 0 0 71 -2,-0.2 8,-0.0 2,-0.1 -27,-0.0 -0.877 41.2-132.4-145.6 176.8 34.4 32.2 6.8 450 450 A E + 0 0 165 -2,-0.3 -1,-0.0 3,-0.0 2,-0.0 0.337 58.4 134.1-111.5 0.1 38.0 31.7 5.9 451 451 A F - 0 0 66 1,-0.2 -2,-0.1 3,-0.0 6,-0.0 -0.322 48.1-150.9 -55.5 127.2 38.7 29.1 8.6 452 452 A E S S+ 0 0 171 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.879 77.2 32.6 -68.6 -39.2 40.7 26.3 7.0 453 453 A K S >> S- 0 0 125 1,-0.1 4,-1.2 -3,-0.0 3,-0.7 -0.871 75.5-125.9-123.1 154.7 39.3 23.6 9.3 454 454 A E H >> S+ 0 0 106 -2,-0.3 4,-2.6 1,-0.2 3,-1.0 0.950 106.8 61.3 -60.2 -51.8 36.1 23.1 11.2 455 455 A F H 3> S+ 0 0 132 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.767 102.4 55.7 -49.5 -25.1 37.6 22.7 14.6 456 456 A Q H <> S+ 0 0 64 -3,-0.7 4,-2.7 2,-0.2 -1,-0.3 0.913 108.8 44.8 -74.0 -43.2 38.9 26.3 14.2 457 457 A L H X S+ 0 0 69 -4,-1.3 3,-2.5 -3,-0.3 4,-0.5 0.941 106.4 55.8 -75.9 -51.6 33.0 33.6 22.0 465 465 A L H >X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.3 3,-0.6 0.706 93.0 73.7 -55.2 -20.9 30.3 31.9 23.8 466 466 A A H 3< S+ 0 0 54 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.598 92.4 55.0 -71.5 -10.0 32.5 31.8 26.9 467 467 A A H <4 S+ 0 0 30 -3,-2.5 -378,-2.2 -380,-0.1 -377,-0.7 0.696 121.1 24.9 -94.8 -21.9 32.0 35.5 27.4 468 468 A S H << S+ 0 0 9 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.627 117.8 57.2-114.4 -21.7 28.2 35.4 27.6 469 469 A L S < S- 0 0 2 -4,-2.5 -1,-0.1 -5,-0.2 5,-0.1 -0.904 80.8-114.0-120.2 141.6 27.4 31.9 28.7 470 470 A P >> - 0 0 1 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.392 41.4-110.0 -63.4 148.2 28.4 29.8 31.7 471 471 A A G >4 S+ 0 0 81 -386,-0.4 3,-1.3 1,-0.3 -385,-0.0 0.839 116.2 61.0 -48.9 -39.1 30.6 26.9 30.5 472 472 A Y G 34 S+ 0 0 45 1,-0.3 -1,-0.3 -68,-0.0 4,-0.1 0.633 100.8 54.5 -68.0 -12.7 27.8 24.3 31.2 473 473 A M G <4 S+ 0 0 2 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.580 84.5 97.9 -95.1 -11.2 25.5 26.0 28.7 474 474 A I S << S- 0 0 30 -3,-1.3 -34,-0.2 -4,-0.6 -12,-0.0 -0.656 85.1-112.3 -79.8 124.2 28.0 25.8 25.9 475 475 A P - 0 0 0 0, 0.0 -34,-0.1 0, 0.0 -2,-0.1 -0.308 13.9-143.1 -59.3 133.6 27.2 22.8 23.7 476 476 A R S S+ 0 0 152 -36,-0.6 2,-0.3 -4,-0.1 -35,-0.2 0.948 85.2 41.3 -61.1 -49.9 29.8 20.0 23.7 477 477 A K E -w 441 0F 63 -37,-1.9 -35,-3.1 2,-0.0 2,-0.4 -0.811 65.0-164.7-108.0 143.9 29.4 19.2 20.0 478 478 A F E +w 442 0F 11 -2,-0.3 2,-0.4 -37,-0.2 -35,-0.2 -0.988 9.3 178.8-125.6 121.4 29.0 21.6 17.1 479 479 A I E -w 443 0F 24 -37,-3.1 -35,-3.2 -2,-0.4 2,-0.3 -0.926 14.9-145.8-120.4 149.0 27.8 20.3 13.7 480 480 A Y E +w 444 0F 24 -2,-0.4 2,-0.3 -37,-0.2 -35,-0.2 -0.869 22.6 158.1-119.3 150.8 27.3 22.5 10.6 481 481 A Q - 0 0 26 -37,-2.4 3,-0.1 -2,-0.3 -2,-0.0 -0.931 43.9-109.0-155.7 176.7 24.8 22.5 7.8 482 482 A D S S+ 0 0 133 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.851 90.6 18.3 -85.1 -39.5 23.1 24.6 5.1 483 483 A H - 0 0 156 -39,-0.1 2,-0.7 -38,-0.0 -1,-0.2 -0.986 66.4-123.7-140.6 148.7 19.5 24.9 6.2 484 484 A I - 0 0 21 -2,-0.3 2,-0.1 -3,-0.1 -58,-0.0 -0.794 37.4-122.1 -89.6 116.4 17.5 24.6 9.4 485 485 A Q - 0 0 50 -2,-0.7 8,-2.8 8,-0.1 2,-0.3 -0.347 32.8-167.9 -60.4 130.9 14.6 22.2 8.8 486 486 A M B -X 492 0G 105 6,-0.3 6,-0.2 -2,-0.1 5,-0.1 -0.888 13.5-127.1-121.5 152.8 11.2 23.8 9.5 487 487 A T > - 0 0 41 4,-2.8 3,-0.7 -2,-0.3 6,-0.1 -0.225 38.7 -90.8 -87.1-178.7 7.7 22.2 9.9 488 488 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.974 126.8 56.4 -54.7 -58.0 4.6 23.1 8.0 489 489 A N T 3 S- 0 0 144 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.712 121.6-108.6 -46.4 -27.8 3.6 25.6 10.7 490 490 A G S < S+ 0 0 51 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.398 76.5 135.4 107.0 1.6 6.9 27.3 10.0 491 491 A K - 0 0 151 1,-0.1 -4,-2.8 -5,-0.1 2,-0.3 -0.299 68.5 -88.0 -77.6 164.1 8.3 26.2 13.4 492 492 A I B -X 486 0G 60 -6,-0.2 2,-1.8 1,-0.1 -6,-0.3 -0.611 37.5-130.6 -73.6 130.3 11.8 24.7 13.8 493 493 A D > + 0 0 31 -8,-2.8 4,-2.7 -2,-0.3 5,-0.2 -0.523 38.6 166.6 -84.2 73.3 11.6 21.0 13.3 494 494 A R H > S+ 0 0 43 -2,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.850 73.1 54.5 -56.2 -38.9 13.5 19.9 16.4 495 495 A K H > S+ 0 0 160 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 113.3 41.7 -62.5 -45.9 12.4 16.3 16.1 496 496 A R H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.882 112.8 52.9 -70.3 -38.4 13.7 16.1 12.6 497 497 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.896 106.7 53.8 -65.0 -38.9 16.9 18.0 13.4 498 498 A G H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.945 108.8 48.5 -59.7 -47.2 17.7 15.6 16.3 499 499 A E H X S+ 0 0 92 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.888 112.2 49.9 -59.5 -39.1 17.4 12.7 13.9 500 500 A E H X S+ 0 0 37 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.949 108.9 51.6 -62.6 -50.3 19.7 14.4 11.5 501 501 A V H X S+ 0 0 2 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.832 110.9 47.8 -56.8 -37.3 22.2 15.2 14.2 502 502 A L H X S+ 0 0 64 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.844 109.0 52.9 -77.6 -30.4 22.3 11.5 15.3 503 503 A V H >< S+ 0 0 81 -4,-1.8 3,-1.9 1,-0.2 4,-0.3 0.962 108.5 49.5 -67.5 -46.6 22.7 10.2 11.7 504 504 A R H >< S+ 0 0 87 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.732 98.9 72.3 -61.5 -19.6 25.7 12.4 11.1 505 505 A S H 3< S+ 0 0 43 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.786 95.6 49.1 -64.9 -30.0 26.9 11.0 14.4 506 506 A H T << S+ 0 0 137 -3,-1.9 2,-0.7 -4,-0.6 -1,-0.3 0.433 93.1 90.3 -92.0 0.7 27.6 7.7 12.7 507 507 A H < 0 0 132 -3,-1.1 -1,-0.0 -4,-0.3 -4,-0.0 -0.881 360.0 360.0-102.2 113.8 29.5 9.3 9.9 508 508 A H 0 0 216 -2,-0.7 -1,-0.1 0, 0.0 -2,-0.1 0.543 360.0 360.0-118.7 360.0 33.2 9.7 10.6