==== 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 IMMUNE SYSTEM 31-MAR-04 1SXR . COMPND 2 MOLECULE: PEPTIDOGLYCAN RECOGNITION PROTEIN SA CG11709-PA; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR J.B.REISER,L.TEYTON,I.A.WILSON . 346 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.5 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 . 2 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 . 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 2 0 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 0 2 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 11 A a 0 0 94 0, 0.0 120,-0.1 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 116.0 39.9 9.3 8.3 2 12 A P - 0 0 34 0, 0.0 2,-0.7 0, 0.0 73,-0.1 -0.344 360.0-110.7 -70.6 153.7 43.2 10.4 9.7 3 13 A T - 0 0 98 -2,-0.0 73,-0.5 2,-0.0 2,-0.3 -0.783 35.7-140.3 -87.5 119.0 46.0 11.3 7.3 4 14 A I E -a 76 0A 37 -2,-0.7 2,-1.1 71,-0.1 73,-0.2 -0.618 5.3-132.9 -87.3 133.9 48.7 8.6 7.7 5 15 A K E -a 77 0A 39 71,-3.0 73,-2.9 -2,-0.3 5,-0.1 -0.744 32.5-143.5 -84.8 104.0 52.3 9.6 7.7 6 16 A L >> - 0 0 83 -2,-1.1 4,-1.1 71,-0.2 3,-1.1 -0.154 25.3 -96.6 -69.8 163.1 53.8 7.0 5.3 7 17 A K H >>>S+ 0 0 27 1,-0.3 5,-2.8 2,-0.2 3,-1.0 0.884 124.1 51.6 -47.3 -49.8 57.2 5.4 5.7 8 18 A R H >45S+ 0 0 228 1,-0.2 3,-0.7 3,-0.2 -1,-0.3 0.847 103.2 59.5 -54.3 -38.3 58.8 7.9 3.2 9 19 A Q H <45S+ 0 0 97 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.744 112.3 38.0 -71.1 -24.3 57.4 10.9 5.1 10 20 A W H <<5S- 0 0 2 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.351 118.2-107.0-104.4 6.2 59.2 9.8 8.3 11 21 A G T <<5 + 0 0 42 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.726 63.6 159.8 83.5 19.3 62.4 8.7 6.6 12 22 A G < - 0 0 17 -5,-2.8 -1,-0.2 -6,-0.2 37,-0.1 -0.361 35.7-121.3 -78.2 158.4 61.7 5.0 7.1 13 23 A K - 0 0 133 1,-0.1 -1,-0.1 36,-0.1 3,-0.1 -0.526 34.8 -88.6 -94.3 160.9 63.3 2.2 5.1 14 24 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.267 48.5 -94.3 -62.5 154.9 61.6 -0.5 3.1 15 25 A S - 0 0 31 1,-0.1 48,-0.2 65,-0.1 3,-0.2 -0.345 23.9-135.1 -58.4 150.1 60.4 -3.8 4.6 16 26 A L S S+ 0 0 112 46,-2.5 2,-0.2 1,-0.3 -1,-0.1 0.449 90.0 4.9 -86.0 -5.0 62.9 -6.6 4.2 17 27 A G S S- 0 0 24 45,-0.3 2,-0.4 2,-0.0 -1,-0.3 -0.592 71.2-138.2 178.6 118.1 60.1 -8.9 3.2 18 28 A L - 0 0 89 -3,-0.2 2,-0.5 -2,-0.2 66,-0.0 -0.666 17.4-178.0 -90.4 131.5 56.4 -8.4 2.6 19 29 A H - 0 0 84 -2,-0.4 66,-3.1 66,-0.2 2,-0.2 -0.981 20.8-140.4-127.5 117.8 53.9 -10.9 3.9 20 30 A Y B -G 84 0B 168 -2,-0.5 64,-0.3 64,-0.2 2,-0.2 -0.485 7.1-142.3 -86.6 146.9 50.3 -10.1 3.0 21 31 A Q - 0 0 18 62,-2.7 2,-0.6 -2,-0.2 74,-0.1 -0.632 22.6-110.3 -95.3 162.2 47.2 -10.5 5.3 22 32 A V - 0 0 127 72,-0.4 61,-0.1 -2,-0.2 62,-0.0 -0.827 53.1-101.9 -90.5 124.6 43.7 -11.7 4.3 23 33 A R S S+ 0 0 133 -2,-0.6 2,-0.1 2,-0.1 107,-0.1 -0.706 94.3 46.1-101.6 152.5 41.3 -8.8 4.5 24 34 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 107,-0.3 0.523 80.0-143.1 -81.2 152.6 39.3 -7.8 6.3 25 35 A I E -b 131 0A 6 105,-2.8 107,-2.7 -2,-0.1 71,-0.1 -0.630 9.3-162.7 -81.3 141.5 41.3 -8.1 9.5 26 36 A R E + 0 0 135 69,-0.7 110,-2.8 -2,-0.3 2,-0.4 0.394 65.1 58.0-109.9 -1.6 39.2 -9.2 12.5 27 37 A Y E -bc 136 96A 59 68,-0.8 70,-2.2 108,-0.2 2,-0.4 -0.997 52.9-168.5-134.8 137.1 41.5 -8.3 15.3 28 38 A V E -bc 137 97A 0 108,-2.6 110,-3.0 -2,-0.4 2,-0.5 -0.995 12.8-159.8-120.9 127.4 43.2 -5.1 16.5 29 39 A V E -bc 138 98A 0 68,-2.3 70,-2.8 -2,-0.4 2,-0.4 -0.940 7.0-147.8-111.3 124.9 45.9 -5.4 19.2 30 40 A I E +bc 139 99A 0 108,-2.9 110,-2.4 -2,-0.5 2,-0.3 -0.772 25.6 163.7 -97.1 134.3 46.8 -2.3 21.3 31 41 A H E - c 0 100A 8 68,-2.5 70,-2.6 -2,-0.4 2,-0.3 -0.840 28.9-137.8-132.8 165.9 50.4 -1.8 22.5 32 42 A H E - c 0 101A 10 -2,-0.3 70,-0.2 68,-0.2 72,-0.1 -0.924 13.5-140.6-120.6 159.6 52.7 0.8 23.9 33 43 A T - 0 0 12 68,-1.8 2,-2.4 70,-0.5 71,-0.2 0.638 18.3-155.8 -89.7 -18.0 56.3 1.3 22.8 34 44 A V S S+ 0 0 75 69,-2.6 3,-0.3 67,-0.3 2,-0.2 -0.396 75.1 54.9 72.0 -60.8 57.7 2.1 26.3 35 45 A T S S+ 0 0 100 -2,-2.4 68,-0.5 1,-0.2 -2,-0.1 -0.629 88.9 48.7 -93.8 153.4 60.6 4.0 24.7 36 46 A G + 0 0 23 -2,-0.2 -1,-0.2 1,-0.2 11,-0.1 0.549 56.0 179.9 107.7 10.5 60.4 6.8 22.2 37 47 A E + 0 0 96 -3,-0.3 2,-0.3 34,-0.1 -1,-0.2 -0.121 20.5 156.3 -51.7 135.9 57.9 9.4 23.5 38 48 A b - 0 0 8 64,-0.3 34,-1.8 9,-0.0 2,-0.5 -0.990 38.0-137.1-162.1 153.1 57.8 12.3 21.0 39 49 A S > - 0 0 58 -2,-0.3 4,-0.5 33,-0.2 5,-0.1 -0.970 67.7 -6.5-124.5 115.1 55.6 15.1 19.7 40 50 A G H > S- 0 0 11 -2,-0.5 4,-2.9 3,-0.1 3,-0.4 0.239 84.7 -77.5 89.0 156.8 55.2 15.8 16.0 41 51 A L H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.848 121.3 61.3 -60.1 -40.6 56.9 14.4 12.9 42 52 A L H > S+ 0 0 165 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.927 117.2 29.7 -55.5 -46.4 60.1 16.4 13.3 43 53 A K H X S+ 0 0 148 -4,-0.5 4,-1.1 -3,-0.4 3,-0.5 0.900 119.8 53.8 -79.0 -42.2 61.0 14.8 16.6 44 54 A b H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.803 93.5 71.4 -67.2 -28.8 59.3 11.4 16.0 45 55 A A H X S+ 0 0 15 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.917 99.2 44.2 -58.8 -45.7 61.0 10.7 12.7 46 56 A E H X S+ 0 0 129 -4,-0.5 4,-2.4 -3,-0.5 5,-0.2 0.908 113.4 52.7 -66.6 -37.7 64.4 10.0 14.2 47 57 A I H X S+ 0 0 54 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.928 111.6 45.3 -60.9 -43.3 62.9 7.9 16.9 48 58 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.875 109.5 55.8 -70.8 -37.9 61.0 5.8 14.4 49 59 A Q H X S+ 0 0 74 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.926 113.0 41.1 -57.5 -44.7 64.1 5.4 12.2 50 60 A N H X S+ 0 0 94 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.853 112.0 54.5 -76.7 -31.7 66.1 4.0 15.1 51 61 A M H X S+ 0 0 20 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.935 109.9 48.6 -62.2 -46.3 63.2 1.9 16.3 52 62 A Q H X S+ 0 0 3 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.920 110.2 51.6 -55.2 -44.8 63.0 0.4 12.8 53 63 A A H X S+ 0 0 34 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.897 111.0 48.0 -59.5 -44.9 66.7 -0.2 12.8 54 64 A Y H X>S+ 0 0 132 -4,-2.6 4,-2.0 3,-0.2 5,-2.0 0.957 115.2 44.8 -62.2 -47.8 66.5 -2.0 16.2 55 65 A H H <5S+ 0 0 14 -4,-2.8 6,-2.6 3,-0.2 -2,-0.2 0.929 121.0 38.0 -64.0 -44.4 63.6 -4.1 15.0 56 66 A Q H <5S+ 0 0 12 -4,-3.2 -1,-0.2 4,-0.2 -2,-0.2 0.900 127.9 30.1 -71.6 -42.3 65.1 -5.0 11.6 57 67 A N H <5S+ 0 0 98 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.605 132.3 25.5-102.8 -15.5 68.7 -5.4 12.5 58 68 A E T <5S+ 0 0 136 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.684 128.5 37.5-113.7 -38.4 68.6 -6.7 16.1 59 69 A L S - 0 0 1 4,-2.2 3,-1.7 -2,-0.5 -32,-0.2 -0.294 35.3 -93.4 -91.3 178.7 52.4 10.0 18.7 72 82 A N T 3 S+ 0 0 30 -34,-1.8 42,-0.4 1,-0.3 41,-0.3 0.741 123.2 54.6 -63.8 -31.8 51.5 12.7 21.4 73 83 A D T 3 S- 0 0 98 -35,-0.3 -1,-0.3 40,-0.1 -34,-0.1 0.418 121.5-106.0 -83.1 -0.5 50.2 15.2 18.7 74 84 A G < + 0 0 17 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.586 68.3 151.1 87.2 9.6 47.9 12.5 17.4 75 85 A I - 0 0 30 -73,-0.1 -4,-2.2 -71,-0.0 2,-0.6 -0.570 39.5-141.3 -73.4 136.1 49.9 11.8 14.2 76 86 A V E -aD 4 70A 1 -73,-0.5 -71,-3.0 -2,-0.3 2,-0.4 -0.895 16.6-159.3 -98.9 121.2 49.4 8.3 12.9 77 87 A Y E -aD 5 69A 1 -8,-3.3 -8,-2.2 -2,-0.6 2,-0.4 -0.860 18.1-122.4-103.5 131.7 52.7 6.9 11.6 78 88 A E E + D 0 68A 51 -73,-2.9 -10,-0.2 -2,-0.4 -68,-0.1 -0.613 38.5 164.3 -67.1 124.5 52.8 3.9 9.1 79 89 A G S S- 0 0 1 -12,-2.5 -12,-0.3 -2,-0.4 -11,-0.2 0.440 80.5 -16.9 -98.1-110.6 54.8 1.1 10.5 80 90 A T S S- 0 0 11 -14,-2.8 -13,-0.2 -16,-0.2 -12,-0.1 0.828 104.1-145.6 -62.1 -30.9 54.3 -2.2 8.8 81 91 A G > - 0 0 0 -14,-2.0 3,-1.1 -15,-0.3 -1,-0.1 -0.094 30.3 -31.5 88.8 171.0 51.1 -0.6 7.3 82 92 A W T 3 S+ 0 0 40 1,-0.2 3,-0.1 -15,-0.1 15,-0.0 -0.383 122.2 8.2 -63.6 139.0 47.6 -1.9 6.4 83 93 A G T 3 S+ 0 0 4 1,-0.2 -62,-2.7 47,-0.1 2,-0.4 0.589 100.2 109.6 75.8 11.7 47.3 -5.5 5.2 84 94 A L B < S-G 20 0B 30 -3,-1.1 2,-0.4 -64,-0.3 -64,-0.2 -0.951 73.3-110.4-122.8 143.3 50.9 -6.6 5.9 85 95 A R - 0 0 113 -66,-3.1 -66,-0.2 -2,-0.4 9,-0.2 -0.568 38.3-172.3 -76.2 125.8 51.9 -9.0 8.6 86 96 A G - 0 0 12 7,-0.6 -20,-0.2 -2,-0.4 -21,-0.2 -0.037 28.6-121.8 -99.6-157.3 53.9 -7.4 11.5 87 97 A A S S+ 0 0 31 -22,-2.1 -21,-0.2 -23,-0.1 3,-0.2 -0.027 74.3 106.7-142.3 30.1 55.7 -8.8 14.5 88 98 A H S S+ 0 0 15 -23,-0.8 2,-0.3 1,-0.2 -22,-0.1 0.747 82.9 23.3 -86.7 -27.9 54.0 -7.2 17.5 89 99 A T S > S- 0 0 0 -24,-0.2 3,-2.7 7,-0.1 4,-0.3 -0.833 76.4-127.0-149.7 104.6 51.9 -10.0 18.9 90 100 A Y T 3 S+ 0 0 86 -2,-0.3 80,-0.1 1,-0.3 -3,-0.1 -0.208 100.5 17.1 -51.0 129.8 52.6 -13.7 18.6 91 101 A G T 3 S+ 0 0 41 78,-0.1 -1,-0.3 81,-0.0 4,-0.1 0.229 123.9 62.6 92.2 -15.4 49.4 -15.4 17.3 92 102 A Y S <> S+ 0 0 12 -3,-2.7 4,-0.6 2,-0.1 -2,-0.2 0.136 74.5 87.5-128.0 16.5 48.0 -12.1 16.2 93 103 A N T 4 S+ 0 0 28 -4,-0.3 -7,-0.6 2,-0.2 3,-0.2 0.942 95.7 37.1 -82.2 -50.8 50.4 -10.9 13.5 94 104 A A T 4 S+ 0 0 48 1,-0.2 -72,-0.4 -9,-0.2 -1,-0.1 0.871 131.1 32.8 -64.5 -37.2 48.9 -12.7 10.5 95 105 A I T 4 S+ 0 0 82 -4,-0.1 -68,-0.8 -74,-0.1 -69,-0.7 0.406 114.1 59.8-105.4 2.8 45.3 -12.1 11.7 96 106 A G E < -c 27 0A 0 -4,-0.6 2,-0.5 -3,-0.2 -10,-0.3 -0.884 66.7-131.0-130.7 160.8 45.6 -8.7 13.6 97 107 A T E -c 28 0A 0 -70,-2.2 -68,-2.3 -2,-0.3 2,-0.5 -0.971 28.5-148.8-105.4 119.4 46.5 -5.1 13.1 98 108 A G E -c 29 0A 0 -2,-0.5 -30,-1.9 -70,-0.2 -31,-1.5 -0.801 14.4-173.5 -94.7 125.5 48.9 -4.0 15.8 99 109 A I E -ce 30 68A 0 -70,-2.8 -68,-2.5 -2,-0.5 2,-0.5 -0.979 4.5-163.3-121.8 122.7 48.7 -0.3 16.9 100 110 A A E -ce 31 69A 0 -32,-2.6 -30,-2.3 -2,-0.5 2,-0.5 -0.919 14.5-143.0-109.2 129.8 51.2 1.1 19.3 101 111 A F E -ce 32 70A 0 -70,-2.6 -68,-1.8 -2,-0.5 2,-0.5 -0.758 32.0-120.4 -77.7 126.4 50.9 4.3 21.3 102 112 A I S S+ 0 0 1 -32,-2.8 -64,-0.3 -2,-0.5 2,-0.3 -0.596 77.6 35.5 -72.3 118.9 54.3 5.9 21.4 103 113 A G S S- 0 0 0 -2,-0.5 -69,-2.6 -68,-0.5 2,-0.6 -0.818 96.2 -64.6 131.4-172.9 55.3 6.2 25.1 104 114 A N + 0 0 72 -2,-0.3 3,-0.3 -71,-0.2 4,-0.1 -0.948 42.3 175.0-121.9 110.3 55.0 4.4 28.4 105 115 A F + 0 0 4 -2,-0.6 48,-1.5 44,-0.3 47,-0.5 -0.076 44.3 110.5-116.2 32.8 51.4 4.2 29.6 106 116 A V S S+ 0 0 39 44,-0.2 46,-1.4 45,-0.2 -1,-0.2 0.932 99.0 18.8 -62.3 -41.9 51.6 2.1 32.7 107 117 A D S S+ 0 0 150 -3,-0.3 2,-0.3 44,-0.1 -1,-0.1 0.334 129.5 29.4-118.2 -0.0 50.8 5.1 34.9 108 118 A K S S- 0 0 93 -4,-0.1 45,-0.2 0, 0.0 44,-0.1 -0.956 75.1-108.6-152.4 168.7 49.2 7.7 32.6 109 119 A L - 0 0 69 -2,-0.3 3,-0.1 1,-0.1 -5,-0.1 -0.650 35.9-100.9 -98.3 156.7 47.1 7.9 29.4 110 120 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 -0.282 59.3 -77.2 -59.1 163.5 48.2 9.0 25.9 111 121 A S > - 0 0 40 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.120 39.7-110.0 -59.5 159.3 47.1 12.5 25.0 112 122 A D H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 121.9 55.0 -57.4 -38.8 43.5 13.2 24.0 113 123 A A H > S+ 0 0 48 -41,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.908 108.2 48.0 -62.5 -41.2 44.8 13.8 20.5 114 124 A A H > S+ 0 0 2 -42,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.933 112.0 48.4 -66.3 -44.7 46.4 10.3 20.4 115 125 A L H X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.920 113.1 47.4 -62.0 -43.1 43.4 8.5 21.8 116 126 A Q H X S+ 0 0 99 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.887 108.6 55.9 -67.5 -35.8 41.1 10.3 19.2 117 127 A A H X S+ 0 0 7 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.890 106.9 49.6 -61.9 -40.2 43.5 9.5 16.4 118 128 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.931 111.3 48.7 -63.7 -46.2 43.3 5.7 17.3 119 129 A K H X S+ 0 0 84 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.915 113.3 47.7 -58.6 -44.3 39.5 5.9 17.3 120 130 A D H X S+ 0 0 62 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.879 110.2 52.6 -63.9 -39.2 39.6 7.6 14.0 121 131 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.896 110.0 47.8 -62.7 -42.6 42.1 5.1 12.6 122 132 A L H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.923 112.6 47.8 -64.6 -43.5 39.9 2.2 13.6 123 133 A A H X S+ 0 0 63 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.890 112.3 49.8 -69.2 -37.5 36.8 3.7 12.1 124 134 A a H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 6,-0.3 0.905 106.9 55.4 -63.9 -41.9 38.6 4.5 8.9 125 135 A G H <>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 6,-1.8 0.892 108.8 47.6 -58.6 -39.0 39.9 0.9 8.7 126 136 A V H ><5S+ 0 0 16 -4,-1.9 3,-1.3 4,-0.2 -1,-0.2 0.948 111.6 50.2 -66.2 -44.3 36.4 -0.4 8.8 127 137 A Q H 3<5S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.861 111.9 47.8 -62.5 -37.2 35.2 2.1 6.2 128 138 A Q T 3<5S- 0 0 78 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.410 115.7-111.3 -85.9 -0.4 38.1 1.1 3.8 129 139 A G T < 5S+ 0 0 38 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.577 89.3 115.3 80.9 8.2 37.6 -2.6 4.2 130 140 A E S - 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0 0 57 -2,-1.3 -2,-0.1 -5,-0.2 -3,-0.0 -0.968 67.0-136.9-160.0 156.8 7.5 9.3 9.0 321 157 B Q > + 0 0 147 -2,-0.3 3,-2.7 2,-0.0 -6,-0.1 0.551 59.5 154.4 -91.7 -11.7 7.8 6.3 11.3 322 158 B S T 3 + 0 0 5 1,-0.3 -7,-1.8 -8,-0.1 -2,-0.1 -0.313 55.0 27.5 -59.6 138.1 9.7 4.4 8.6 323 159 B P T 3 S- 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -44,-0.3 -0.898 111.6-109.3 -96.0 25.8 11.7 2.2 8.8 324 160 B G <> - 0 0 0 -3,-2.7 4,-2.7 3,-0.1 3,-0.3 0.286 27.8 -95.8 94.8 135.0 10.0 1.2 12.1 325 161 B L H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 121.3 52.7 -53.6 -44.0 11.5 1.6 15.5 326 162 B T H > S+ 0 0 43 -46,-1.3 4,-1.4 -47,-0.5 -1,-0.2 0.935 114.3 41.8 -60.9 -44.6 12.9 -1.9 15.8 327 163 B L H > S+ 0 0 0 -48,-1.4 4,-2.6 -45,-0.3 -1,-0.2 0.867 111.3 56.7 -70.1 -36.9 14.7 -1.7 12.5 328 164 B Y H X S+ 0 0 46 -4,-2.7 4,-1.9 -49,-0.2 -2,-0.2 0.940 105.1 52.3 -56.0 -44.2 15.8 1.9 13.3 329 165 B N H < S+ 0 0 79 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.870 109.9 50.2 -61.8 -36.9 17.5 0.6 16.4 330 166 B E H >< S+ 0 0 53 -4,-1.4 3,-1.9 -5,-0.2 4,-0.3 0.951 108.6 48.7 -65.5 -51.2 19.3 -2.0 14.3 331 167 B I H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 6,-0.3 0.803 97.1 71.0 -67.9 -23.7 20.7 0.3 11.7 332 168 B Q T 3< S+ 0 0 61 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.764 94.8 57.6 -55.9 -23.8 22.0 2.7 14.4 333 169 B E T < S+ 0 0 149 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.551 84.1 100.9 -83.7 -10.8 24.5 -0.1 15.1 334 170 B W S X S- 0 0 15 -3,-1.8 3,-2.2 -4,-0.3 -23,-0.1 -0.586 79.8-125.9 -81.5 138.4 25.8 0.0 11.6 335 171 B P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -208,-0.1 0.731 105.6 55.7 -61.0 -25.6 29.1 2.0 11.1 336 172 B H T 3 S+ 0 0 25 -5,-0.1 -25,-2.4 -26,-0.1 -4,-0.1 0.522 77.8 127.5 -83.4 -2.2 27.9 4.3 8.4 337 173 B W B < -m 311 0C 63 -3,-2.2 2,-0.5 -6,-0.3 -25,-0.2 -0.299 46.8-154.3 -61.1 131.4 24.9 5.5 10.5 338 174 B L - 0 0 48 -27,-2.4 -1,-0.1 1,-0.1 -2,-0.1 -0.947 5.6-164.1-108.6 121.8 24.7 9.3 10.8 339 175 B S S S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.758 80.1 36.5 -79.1 -26.1 23.0 10.6 13.9 340 176 B N S S+ 0 0 117 -28,-0.0 -1,-0.2 2,-0.0 -28,-0.0 -0.406 71.0 171.1-130.6 59.8 22.3 14.2 12.9 341 177 B P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -29,-0.0 -0.332 35.7-109.5 -68.0 152.3 21.5 14.5 9.2 342 178 B H - 0 0 143 -2,-0.0 2,-0.4 0, 0.0 -26,-0.0 -0.396 28.9-165.5 -75.0 151.9 20.3 17.9 7.8 343 179 B H - 0 0 125 -2,-0.1 2,-0.2 -77,-0.0 -78,-0.1 -0.973 7.3-147.8-138.2 135.4 16.8 18.5 6.7 344 180 B H - 0 0 166 -2,-0.4 2,-0.3 -27,-0.1 0, 0.0 -0.593 25.9-103.1 -94.0 156.9 15.5 21.4 4.7 345 181 B H - 0 0 171 -2,-0.2 -1,-0.1 1,-0.1 -80,-0.0 -0.617 18.4-144.4 -73.1 133.6 12.2 23.2 4.8 346 182 B H 0 0 117 -2,-0.3 -1,-0.1 -82,-0.0 -81,-0.0 0.683 360.0 360.0 -70.2 -20.4 9.9 22.2 1.9 347 183 B H 0 0 216 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.761 360.0 360.0-135.1 360.0 8.6 25.8 2.0