==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 07-DEC-99 1DKH . COMPND 2 MOLECULE: HEME-BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR P.ARNOUX,R.HASER,N.IZADI-PRUNEYRE,A.LECROISEY,M.CZJZEK . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 9 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A F 0 0 50 0, 0.0 2,-0.3 0, 0.0 114,-0.2 0.000 360.0 360.0 360.0 139.0 60.6 52.3 11.8 2 4 A S E -A 114 0A 50 112,-1.2 112,-2.9 2,-0.0 2,-0.4 -0.951 360.0-137.9-165.3 164.9 62.5 49.9 14.0 3 5 A V E -A 113 0A 21 -2,-0.3 2,-0.4 110,-0.2 110,-0.2 -0.998 9.8-172.1-143.9 137.6 62.0 46.6 15.8 4 6 A N E +A 112 0A 112 108,-1.9 108,-1.0 -2,-0.4 2,-0.3 -0.972 19.3 177.1-123.3 139.9 62.9 45.2 19.3 5 7 A Y E -A 111 0A 63 -2,-0.4 106,-0.2 106,-0.2 105,-0.1 -0.998 37.2-106.8-151.2 144.8 62.3 41.5 20.0 6 8 A D > - 0 0 68 104,-2.0 3,-1.5 -2,-0.3 104,-0.1 -0.404 44.4-117.5 -58.4 140.8 62.8 38.9 22.7 7 9 A S G > S+ 0 0 106 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.742 105.6 76.9 -60.6 -25.0 65.7 36.7 21.5 8 10 A S G 3 S+ 0 0 70 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.794 98.6 45.1 -54.4 -31.5 63.5 33.6 21.3 9 11 A F G X S+ 0 0 18 -3,-1.5 3,-2.2 101,-0.2 155,-0.5 0.164 72.2 117.8-101.3 13.9 62.0 34.9 18.1 10 12 A G T < S+ 0 0 5 -3,-1.9 155,-3.9 1,-0.3 156,-0.3 0.869 87.6 35.2 -47.9 -44.5 65.1 36.1 16.3 11 13 A G T 3 S+ 0 0 57 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.136 94.1 110.8-104.2 35.1 64.6 33.6 13.5 12 14 A Y < - 0 0 76 -3,-2.2 152,-2.1 4,-0.0 2,-0.3 -0.826 69.3-123.7-104.6 145.5 60.8 33.8 13.5 13 15 A S B > -G 163 0B 11 -2,-0.4 4,-2.4 150,-0.2 3,-0.3 -0.701 20.5-121.0 -88.0 149.2 59.1 35.4 10.5 14 16 A I H > S+ 0 0 0 148,-1.3 4,-2.0 -2,-0.3 5,-0.4 0.921 113.2 55.7 -54.7 -44.9 56.9 38.2 11.4 15 17 A H H > S+ 0 0 84 145,-3.0 4,-1.8 147,-0.2 -1,-0.2 0.928 110.2 46.7 -53.3 -44.9 53.9 36.5 9.8 16 18 A D H > S+ 0 0 78 -3,-0.3 4,-1.6 144,-0.2 -1,-0.2 0.926 110.2 51.4 -63.4 -52.0 54.5 33.5 12.0 17 19 A Y H >X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 3,-1.8 0.976 114.1 41.1 -51.1 -66.0 54.9 35.4 15.2 18 20 A L H 3X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.3 5,-0.3 0.858 111.4 58.7 -53.3 -33.8 51.7 37.4 14.9 19 21 A G H 3< S+ 0 0 37 -4,-1.8 4,-0.3 -5,-0.4 -1,-0.3 0.832 112.9 39.1 -65.6 -27.2 50.0 34.3 13.7 20 22 A Q H > - 0 0 56 -2,-0.7 3,-1.9 1,-0.1 4,-1.1 -0.814 63.3 -68.2-128.0 166.9 30.5 43.7 18.8 32 34 A N T 34 S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 -0.271 120.8 8.8 -54.1 136.9 27.0 45.4 19.2 33 35 A G T 34 S+ 0 0 81 2,-0.1 -1,-0.3 1,-0.1 3,-0.0 0.672 123.1 69.6 64.2 18.7 25.4 44.2 22.4 34 36 A N T <4 + 0 0 80 -3,-1.9 2,-1.1 2,-0.1 5,-0.2 0.398 60.8 112.2-137.8 -13.2 28.5 42.4 23.6 35 37 A V < + 0 0 70 -4,-1.1 -2,-0.1 4,-0.1 -5,-0.1 -0.551 43.0 148.6 -71.5 102.1 30.9 45.2 24.4 36 38 A T - 0 0 85 -2,-1.1 4,-0.3 -3,-0.0 -2,-0.1 0.043 64.7 -71.8-110.5-144.1 31.3 45.0 28.2 37 39 A D S S+ 0 0 148 2,-0.1 4,-0.4 1,-0.1 -2,-0.1 0.754 124.4 60.7 -86.1 -27.6 34.0 45.8 30.7 38 40 A A S S+ 0 0 59 1,-0.2 18,-0.3 2,-0.1 3,-0.3 0.947 113.0 33.1 -64.0 -53.7 36.1 42.8 29.6 39 41 A N S S+ 0 0 9 -5,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.656 93.5 113.6 -78.6 -16.4 36.6 43.8 25.9 40 42 A S - 0 0 57 -4,-0.3 2,-0.6 1,-0.1 -1,-0.2 0.714 55.2-162.7 -15.1 -78.3 36.6 47.4 27.1 41 43 A G - 0 0 11 -4,-0.4 -1,-0.1 -3,-0.3 2,-0.1 -0.977 9.3-146.2 115.1-119.8 40.2 48.4 26.3 42 44 A G - 0 0 29 -2,-0.6 12,-1.1 5,-0.1 5,-0.1 0.099 4.1-140.0 119.9 123.0 41.1 51.6 28.2 43 45 A F E -B 53 0A 26 3,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.142 8.7-132.2 -95.1-166.0 43.5 54.3 27.1 44 46 A Y E S+Bc 52 50A 70 8,-0.9 7,-2.0 5,-0.5 8,-0.8 -0.840 88.9 41.3-155.6 110.7 46.0 56.3 29.0 45 47 A G S S- 0 0 57 1,-0.4 2,-0.3 -2,-0.3 5,-0.1 0.561 125.7 -8.1 117.4 29.0 46.0 60.1 28.6 46 48 A G S S- 0 0 51 1,-0.1 -1,-0.4 -3,-0.1 -3,-0.2 -0.942 82.6 -84.1 148.6-168.4 42.2 60.4 28.7 47 49 A S S S+ 0 0 101 -2,-0.3 -4,-0.2 -3,-0.1 -1,-0.1 0.564 128.4 5.1-106.5 -20.2 39.0 58.4 28.7 48 50 A L S S+ 0 0 76 -3,-0.1 25,-2.8 25,-0.1 2,-0.2 0.047 129.0 63.2-147.9 19.6 39.0 58.1 24.9 49 51 A S + 0 0 49 23,-0.2 -5,-0.5 3,-0.1 2,-0.3 -0.775 58.8 108.8-134.3 179.0 42.3 59.8 24.1 50 52 A G B S-c 44 0A 12 -2,-0.2 21,-1.8 -7,-0.2 -5,-0.3 -0.904 70.6 -89.3 146.3-174.7 45.9 59.0 24.8 51 53 A S S S+ 0 0 52 -7,-2.0 18,-0.4 -2,-0.3 2,-0.3 0.264 108.7 47.7-116.4 -0.3 49.3 57.9 23.8 52 54 A Q E +B 44 0A 40 -8,-0.8 -8,-0.9 16,-0.2 2,-0.4 -0.994 50.4 178.0-149.8 139.2 48.3 54.3 24.5 53 55 A Y E +BD 43 67A 12 14,-1.4 14,-1.5 -2,-0.3 2,-0.3 -0.963 23.0 171.2-128.5 142.0 45.4 52.0 23.9 54 56 A A E + D 0 66A 1 -12,-1.1 2,-0.3 -2,-0.4 12,-0.2 -0.844 11.6 171.9-162.3 125.3 45.8 48.5 25.3 55 57 A I E - D 0 65A 3 10,-0.7 10,-1.8 -2,-0.3 2,-0.3 -0.777 16.9-146.5-126.6 168.9 43.6 45.6 25.7 56 58 A S E - D 0 64A 40 -18,-0.3 8,-0.2 -2,-0.3 7,-0.1 -0.940 36.4 -75.1-136.5 158.0 44.4 42.1 26.7 57 59 A S - 0 0 2 6,-2.8 4,-0.2 -2,-0.3 -31,-0.1 -0.186 26.4-162.0 -53.5 134.2 43.0 38.7 25.8 58 60 A T S S+ 0 0 45 -33,-0.4 -1,-0.1 1,-0.1 -31,-0.1 -0.298 88.4 57.2-108.2 44.2 39.6 37.9 27.3 59 61 A A S S+ 0 0 78 4,-0.1 -1,-0.1 -34,-0.1 -34,-0.1 0.504 122.7 14.1-138.0 -36.0 40.3 34.3 26.5 60 62 A N S S- 0 0 62 3,-0.2 2,-0.4 -35,-0.2 -2,-0.1 0.338 92.4-137.4-121.9 -4.8 43.5 33.4 28.3 61 63 A Q S S+ 0 0 163 -4,-0.2 -36,-0.0 1,-0.2 -3,-0.0 0.102 84.1 61.0 71.5 -23.4 43.4 36.5 30.4 62 64 A V S S+ 0 0 59 -2,-0.4 33,-1.7 33,-0.1 34,-0.4 0.906 72.9 79.8-104.3 -50.1 47.1 37.2 30.0 63 65 A T E + E 0 94A 4 31,-0.3 -6,-2.8 32,-0.1 31,-0.3 -0.338 59.9 149.7 -63.6 141.5 48.6 37.8 26.5 64 66 A A E -DE 56 93A 0 29,-2.4 29,-1.8 -8,-0.2 2,-0.3 -0.860 33.9-129.5-155.2-171.4 48.0 41.3 25.1 65 67 A F E -DE 55 92A 0 -10,-1.8 -10,-0.7 -2,-0.2 2,-0.3 -0.962 6.8-156.4-148.1 163.2 49.0 44.3 23.0 66 68 A V E -DE 54 91A 7 25,-1.2 25,-1.0 -2,-0.3 2,-0.5 -0.885 6.7-154.5-151.4 118.6 49.5 48.0 23.2 67 69 A A E -DE 53 90A 0 -14,-1.5 -14,-1.4 -2,-0.3 23,-0.3 -0.778 19.4-171.9 -94.5 125.4 49.3 50.6 20.4 68 70 A G E + 0 0 5 21,-2.0 20,-1.6 -2,-0.5 2,-0.5 -0.161 40.5 70.5-101.5-160.1 51.2 53.8 21.0 69 71 A G E S- E 0 87A 25 -18,-0.4 2,-0.4 18,-0.3 18,-0.2 -0.826 102.8 -34.8 96.0-125.3 51.5 57.2 19.2 70 72 A N E + E 0 86A 87 16,-2.0 16,-3.6 -2,-0.5 2,-0.6 -0.911 63.1 177.9-137.3 107.3 48.5 59.5 19.3 71 73 A L E - E 0 85A 0 -21,-1.8 2,-0.4 -2,-0.4 14,-0.2 -0.828 5.7-174.9-122.7 102.7 45.2 57.8 19.3 72 74 A T E - E 0 84A 45 12,-1.6 12,-1.3 -2,-0.6 -23,-0.2 -0.703 13.6-155.4 -90.1 134.2 42.1 59.9 19.5 73 75 A Y - 0 0 44 -25,-2.8 -25,-0.1 -2,-0.4 10,-0.1 -0.289 12.8-157.2 -96.7-169.6 38.9 57.9 19.7 74 76 A T - 0 0 7 -2,-0.1 8,-0.7 1,-0.1 7,-0.1 -0.306 8.2-175.6-168.6 68.8 35.3 58.9 18.8 75 77 A L S S- 0 0 73 6,-0.2 6,-3.6 1,-0.2 -1,-0.1 0.847 81.8 -11.9 -36.0 -71.2 32.7 56.8 20.7 76 78 A F S S+ 0 0 145 4,-0.2 -1,-0.2 5,-0.1 4,-0.1 0.609 102.0 110.8-112.8 -19.4 29.5 58.0 19.0 77 79 A N S S- 0 0 113 1,-0.2 5,-0.1 2,-0.1 -3,-0.0 -0.192 87.6 -42.5 -55.0 149.4 30.4 61.2 17.0 78 80 A E S S+ 0 0 185 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.376 136.4 36.3 -57.3 122.8 30.2 60.8 13.2 79 81 A P S S- 0 0 46 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 0.680 102.4-119.6 -95.8 160.7 31.3 58.3 12.5 80 82 A A S S- 0 0 53 1,-0.2 46,-0.4 -4,-0.1 -4,-0.2 -0.142 77.8 -13.6 -55.6 147.3 30.3 55.8 15.2 81 83 A H S S+ 0 0 74 -6,-3.6 2,-0.3 -7,-0.1 -6,-0.2 0.757 85.0 150.3 23.8 79.8 33.0 54.0 17.3 82 84 A T - 0 0 0 -8,-0.7 -1,-0.1 -3,-0.4 43,-0.1 -0.664 36.7-147.0-146.7 95.0 36.2 54.6 15.2 83 85 A L + 0 0 13 -2,-0.3 2,-0.3 48,-0.1 48,-0.2 -0.017 33.5 153.2 -46.7 151.4 39.7 54.9 16.5 84 86 A Y E +E 72 0A 34 -12,-1.3 -12,-1.6 46,-0.1 2,-0.4 -0.979 13.9 80.8-171.7 169.9 42.0 57.3 14.6 85 87 A G E S-EF 71 120A 19 35,-2.4 35,-2.5 -2,-0.3 2,-0.4 -0.980 88.4 -21.5 131.1-134.7 45.0 59.5 14.8 86 88 A Q E -EF 70 119A 54 -16,-3.6 -16,-2.0 -2,-0.4 2,-0.2 -0.700 54.0-162.6-125.7 82.0 48.7 58.7 14.6 87 89 A L E +EF 69 118A 0 31,-1.8 31,-1.4 -2,-0.4 -18,-0.3 -0.424 21.1 163.9 -59.7 121.0 49.4 55.0 15.4 88 90 A D E + 0 0 53 -20,-1.6 27,-2.4 1,-0.3 28,-1.9 0.691 51.4 22.0-118.7 -28.0 53.1 54.9 16.2 89 91 A S E - F 0 114A 41 -21,-0.4 -21,-2.0 25,-0.2 2,-0.3 -0.977 45.8-172.1-145.3 158.9 53.9 51.7 18.0 90 92 A L E -EF 67 113A 1 23,-1.4 23,-4.1 -2,-0.3 2,-0.4 -0.965 12.9-176.1-148.5 127.2 52.6 48.2 18.5 91 93 A S E -EF 66 112A 29 -25,-1.0 -25,-1.2 -2,-0.3 2,-0.4 -0.997 9.9-153.8-134.9 133.1 54.1 45.8 21.1 92 94 A F E +EF 65 111A 0 19,-1.4 18,-2.6 -2,-0.4 19,-2.4 -0.869 35.5 113.2-109.7 136.9 53.2 42.3 21.7 93 95 A G E -EF 64 109A 1 -29,-1.8 -29,-2.4 -2,-0.4 2,-0.3 -0.906 54.3 -81.1-170.8-165.0 53.7 40.5 24.9 94 96 A D E S+EF 63 108A 44 14,-0.7 14,-2.4 -31,-0.3 13,-0.5 -0.916 87.2 23.3-124.3 150.5 52.1 38.8 28.0 95 97 A G E - 0 0 17 -33,-1.7 12,-3.9 -2,-0.3 2,-0.5 0.947 69.6-142.1 60.8 97.3 50.7 40.2 31.2 96 98 A L E + F 0 106A 43 -34,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.775 26.9 177.7 -90.7 127.3 49.6 43.8 30.7 97 99 A S E + F 0 105A 63 8,-3.5 8,-1.7 -2,-0.5 2,-0.3 -0.978 34.2 8.0-136.6 147.0 50.3 45.9 33.7 98 100 A G E + F 0 104A 52 -2,-0.4 6,-0.3 6,-0.2 -2,-0.0 -0.659 44.1 144.4 96.8-151.9 49.9 49.6 34.6 99 101 A G + 0 0 6 4,-3.3 5,-0.2 -2,-0.3 -1,-0.1 0.847 57.5 72.1 82.0 35.5 48.2 52.4 32.8 100 102 A D S S+ 0 0 147 2,-0.7 -55,-0.1 3,-0.3 4,-0.1 0.438 114.7 6.9-134.5 -69.2 46.6 54.7 35.3 101 103 A T S S+ 0 0 140 2,-0.1 -57,-0.0 -57,-0.0 -3,-0.0 0.448 145.7 29.8 -94.3 -6.6 48.9 56.9 37.4 102 104 A S S S- 0 0 52 1,-0.1 -2,-0.7 0, 0.0 -3,-0.0 -0.918 101.9 -81.4-146.0 162.7 51.5 55.5 35.0 103 105 A P - 0 0 62 0, 0.0 -4,-3.3 0, 0.0 -3,-0.3 -0.067 48.1 -96.2 -67.5 175.6 51.6 54.2 31.4 104 106 A Y E + F 0 98A 40 -6,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.624 48.7 176.0 -86.6 146.5 50.5 50.7 30.3 105 107 A S E - F 0 97A 68 -8,-1.7 -8,-3.5 -2,-0.3 2,-0.5 -0.996 31.0-114.2-154.8 155.8 53.3 48.1 29.9 106 108 A I E - F 0 96A 20 -2,-0.3 -10,-0.2 -10,-0.2 -11,-0.2 -0.828 13.9-154.8 -98.7 131.3 53.9 44.5 29.1 107 109 A Q E S+ 0 0 143 -12,-3.9 -12,-0.2 -2,-0.5 -1,-0.2 0.907 91.5 20.4 -65.1 -45.6 55.3 42.2 31.8 108 110 A V E S- F 0 94A 64 -14,-2.4 -14,-0.7 -13,-0.3 -1,-0.2 -0.623 85.1-154.8-130.9 73.4 56.9 39.7 29.5 109 111 A P E + F 0 93A 74 0, 0.0 -16,-0.3 0, 0.0 3,-0.1 -0.179 18.3 179.5 -52.1 130.5 57.4 41.3 26.0 110 112 A D E - 0 0 35 -18,-2.6 -104,-2.0 1,-0.4 2,-0.2 0.773 67.3 -27.1-102.2 -43.7 57.6 38.9 23.0 111 113 A V E -AF 5 92A 3 -19,-2.4 -19,-1.4 -106,-0.2 -1,-0.4 -0.896 57.6-168.7-157.6 179.5 58.1 41.6 20.1 112 114 A S E -AF 4 91A 29 -108,-1.0 -108,-1.9 -21,-0.3 2,-0.4 -0.777 10.6-141.4 179.7 138.4 57.3 45.4 19.4 113 115 A F E -AF 3 90A 5 -23,-4.1 -23,-1.4 -2,-0.2 2,-0.4 -0.859 11.3-160.5-115.3 143.9 57.4 47.8 16.4 114 116 A G E +AF 2 89A 18 -112,-2.9 -112,-1.2 -2,-0.4 -25,-0.2 -0.951 63.6 21.1-131.1 131.8 58.3 51.5 16.2 115 117 A G E + 0 0 27 -27,-2.4 -26,-0.2 -2,-0.4 -1,-0.2 0.794 57.2 156.6 95.2 34.8 57.6 54.3 13.8 116 118 A L E - 0 0 3 -28,-1.9 -28,-0.2 -3,-0.2 3,-0.1 0.663 25.8-167.0 -66.3 -13.8 54.5 52.9 12.1 117 119 A N E + 0 0 109 -29,-0.2 2,-0.9 1,-0.2 -29,-0.2 0.679 22.1 163.7 34.3 26.6 53.6 56.4 11.2 118 120 A L E - F 0 87A 23 -31,-1.4 -31,-1.8 -32,-0.1 2,-0.4 -0.605 18.4-166.3 -79.3 111.2 50.2 55.1 10.3 119 121 A S E + F 0 86A 70 -2,-0.9 2,-0.4 -33,-0.2 -33,-0.2 -0.815 11.3 176.3 -99.8 131.9 47.9 58.2 10.1 120 122 A S E - F 0 85A 1 -35,-2.5 -35,-2.4 -2,-0.4 2,-0.2 -0.956 16.3-147.9-139.8 115.9 44.1 57.9 10.0 121 123 A L >> - 0 0 116 -2,-0.4 4,-1.4 -37,-0.2 3,-1.2 -0.495 24.9-120.9 -83.9 152.5 41.6 60.9 10.1 122 124 A Q T 34 S+ 0 0 70 1,-0.2 4,-0.1 2,-0.2 -1,-0.1 0.607 109.5 71.1 -65.5 -12.2 38.2 60.8 11.7 123 125 A A T 34 S+ 0 0 93 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.809 100.9 42.7 -71.7 -38.0 36.8 61.6 8.2 124 126 A Q T X4 S+ 0 0 104 -3,-1.2 3,-0.6 2,-0.1 -2,-0.2 0.966 90.5 159.6 -74.7 -63.6 37.6 58.1 6.9 125 127 A G G >< + 0 0 2 -4,-1.4 3,-3.0 1,-0.2 6,-0.1 -0.224 55.4 12.6 75.0-167.8 36.4 56.2 10.0 126 128 A H G 3 S+ 0 0 124 -46,-0.4 -1,-0.2 1,-0.3 -43,-0.1 0.563 135.8 44.3 -17.0 -32.9 35.4 52.6 10.4 127 129 A D G < S+ 0 0 131 -3,-0.6 -1,-0.3 4,-0.1 -2,-0.1 0.043 95.8 100.4-107.1 26.6 37.0 51.9 6.9 128 130 A G S < S- 0 0 13 -3,-3.0 -2,-0.1 -45,-0.1 -44,-0.1 0.933 78.1-111.5 -76.0 -98.8 40.1 54.0 7.6 129 131 A V S > S+ 0 0 42 -11,-0.1 4,-2.7 -8,-0.1 5,-0.2 -0.038 102.1 45.7-168.1 -73.1 43.4 52.3 8.6 130 132 A V H > S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 5,-0.4 0.886 117.5 54.7 -55.9 -30.1 44.7 52.7 12.1 131 133 A H H > S+ 0 0 14 -48,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.983 109.1 46.1 -62.6 -50.7 41.2 52.0 12.9 132 134 A Q H > S+ 0 0 99 2,-0.2 4,-2.5 3,-0.2 -2,-0.2 0.839 112.7 48.1 -56.2 -45.7 41.4 48.8 10.9 133 135 A V H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 1.000 116.6 40.7 -57.7 -73.9 44.7 47.6 12.3 134 136 A V H X S+ 0 0 1 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.835 117.6 48.6 -47.8 -39.6 43.9 48.1 15.9 135 137 A Y H X S+ 0 0 81 -4,-2.7 4,-0.6 -5,-0.4 -1,-0.2 0.957 110.5 49.2 -71.1 -43.4 40.4 46.8 15.5 136 138 A G H >X>S+ 0 0 9 -4,-2.5 3,-3.3 -5,-0.3 5,-1.4 0.975 109.5 53.9 -52.9 -57.0 41.4 43.7 13.6 137 139 A L H ><5S+ 0 0 1 -4,-2.7 3,-2.4 1,-0.3 -1,-0.2 0.892 103.1 56.4 -41.5 -52.4 44.0 43.0 16.3 138 140 A M H 3<5S+ 0 0 9 -4,-2.1 -110,-1.3 1,-0.3 -109,-0.7 0.645 112.7 42.7 -58.4 -14.2 41.2 43.2 18.9 139 141 A S H <<5S- 0 0 29 -3,-3.3 -1,-0.3 -4,-0.6 -2,-0.2 0.321 121.7-104.6-114.5 5.0 39.5 40.5 17.0 140 142 A G T <<5S+ 0 0 26 -3,-2.4 2,-0.5 -4,-0.5 -3,-0.2 0.751 78.8 128.0 79.9 26.1 42.5 38.3 16.3 141 143 A D < - 0 0 96 -5,-1.4 3,-0.3 -8,-0.2 4,-0.2 -0.963 31.1-179.8-117.4 109.9 43.0 39.2 12.6 142 144 A T > + 0 0 14 -2,-0.5 4,-2.5 1,-0.2 5,-0.3 0.388 56.1 98.8 -91.7 4.4 46.5 40.3 11.8 143 145 A G H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.939 78.8 52.7 -56.5 -54.2 45.9 40.9 8.1 144 146 A A H > S+ 0 0 28 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.837 114.2 46.3 -49.0 -40.0 45.4 44.6 8.3 145 147 A L H > S+ 0 0 1 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.851 110.5 48.1 -76.3 -38.6 48.7 44.8 10.1 146 148 A E H X S+ 0 0 34 -4,-2.5 4,-3.7 2,-0.2 5,-0.3 0.920 109.6 56.0 -70.7 -36.5 50.9 42.6 7.9 147 149 A T H X S+ 0 0 105 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.969 113.5 39.4 -54.0 -53.8 49.5 44.5 4.9 148 150 A A H X S+ 0 0 19 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.776 114.0 55.4 -69.0 -24.1 50.8 47.7 6.5 149 151 A L H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.932 106.1 49.7 -74.2 -42.3 53.9 46.0 7.7 150 152 A N H X S+ 0 0 61 -4,-3.7 4,-2.6 1,-0.2 -2,-0.2 0.910 106.5 59.3 -59.9 -39.2 54.7 44.9 4.2 151 153 A G H X S+ 0 0 30 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.911 109.6 40.5 -53.9 -46.7 54.1 48.5 3.2 152 154 A I H < S+ 0 0 37 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 119.4 45.0 -72.7 -37.4 56.8 49.7 5.5 153 155 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.1 3,-1.3 0.651 98.1 74.5 -80.7 -14.3 59.1 46.8 4.6 154 156 A D H ><5S+ 0 0 89 -4,-2.6 3,-2.8 1,-0.3 -2,-0.2 0.995 94.6 50.8 -52.8 -66.4 58.4 47.2 0.8 155 157 A D T 3<5S+ 0 0 126 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.357 113.5 52.1 -55.3 10.0 60.5 50.3 0.6 156 158 A Y T < 5S- 0 0 107 -3,-1.3 -1,-0.3 2,-0.3 -2,-0.2 0.472 113.9-107.8-127.6 -8.1 63.2 48.1 2.4 157 159 A G T < 5S+ 0 0 68 -3,-2.8 2,-0.2 -4,-0.4 -3,-0.2 0.653 87.4 92.1 85.2 20.7 63.4 44.9 0.3 158 160 A L < - 0 0 38 -5,-2.4 -1,-0.3 -8,-0.2 2,-0.3 -0.764 54.0-153.4-135.3 177.9 61.6 42.8 2.9 159 161 A S > - 0 0 41 -2,-0.2 3,-2.6 -3,-0.1 -145,-0.3 -0.965 46.3 -90.1-150.2 166.6 58.2 41.5 4.0 160 162 A V T 3 S+ 0 0 3 -2,-0.3 -145,-3.0 1,-0.3 -144,-0.2 0.459 122.1 71.1 -59.8 10.4 56.3 40.4 7.0 161 163 A N T 3 S+ 0 0 100 -147,-0.2 -1,-0.3 -148,-0.1 2,-0.1 0.398 79.0 82.6-109.4 4.3 57.7 37.2 5.7 162 164 A S S < S- 0 0 6 -3,-2.6 -148,-1.3 1,-0.1 2,-0.3 -0.257 87.8 -85.9 -93.2-173.7 61.4 37.6 6.6 163 165 A T B > -G 13 0B 33 -150,-0.2 4,-3.8 1,-0.1 5,-0.3 -0.654 25.2-120.8 -99.1 154.8 62.9 36.9 10.0 164 166 A F H > S+ 0 0 0 -152,-2.1 4,-3.1 -155,-0.5 -153,-0.2 0.965 121.2 50.8 -54.5 -48.7 63.1 39.3 12.8 165 167 A D H >> S+ 0 0 85 -155,-3.9 4,-1.5 -156,-0.2 3,-0.6 0.976 111.9 47.1 -50.1 -64.1 66.8 38.9 12.6 166 168 A Q H 3> S+ 0 0 105 1,-0.3 4,-1.3 -156,-0.3 -2,-0.2 0.880 113.4 47.6 -38.3 -59.8 66.6 39.7 8.9 167 169 A V H 3< S+ 0 0 0 -4,-3.8 -1,-0.3 1,-0.2 -2,-0.2 0.887 109.1 57.7 -51.8 -43.5 64.3 42.7 9.4 168 170 A A H XX S+ 0 0 24 -4,-3.1 3,-2.0 -3,-0.6 4,-1.7 0.951 101.5 49.2 -53.4 -64.5 66.6 44.0 12.1 169 171 A A H 3< S+ 0 0 85 -4,-1.5 2,-1.9 1,-0.3 -1,-0.2 0.933 106.1 59.2 -40.3 -63.6 69.9 44.2 10.3 170 172 A A T 3< S+ 0 0 45 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.187 113.0 40.2 -56.4 20.5 68.2 46.1 7.5 171 173 A T T <4 0 0 38 -3,-2.0 -1,-0.2 -2,-1.9 -2,-0.2 0.555 360.0 360.0-135.1 -54.1 67.1 48.8 10.0 172 174 A A < 0 0 138 -4,-1.7 -3,-0.1 -3,-0.1 -4,-0.0 0.802 360.0 360.0 -92.8 360.0 69.7 49.7 12.6