==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-04 1S2J . COMPND 2 MOLECULE: PEPTIDOGLYCAN RECOGNITION PROTEIN SA CG11709-PA; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR C.-I.CHANG,S.PILI-FLOURY,Y.CHELLIAH,B.LEMAITRE,D.MENGIN- . 337 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.2 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 2 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 . 3 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 0 107 0, 0.0 2,-0.1 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 120.9 21.3 11.7 -1.1 2 12 A P - 0 0 33 0, 0.0 2,-0.6 0, 0.0 73,-0.1 -0.401 360.0-122.5 -73.1 138.8 19.4 9.1 -3.2 3 13 A T - 0 0 132 -2,-0.1 73,-0.5 1,-0.0 2,-0.3 -0.754 33.2-135.2 -80.4 119.4 17.1 10.3 -6.0 4 14 A I - 0 0 39 -2,-0.6 2,-1.1 71,-0.1 73,-0.2 -0.609 6.1-127.4 -81.6 134.5 13.8 8.7 -5.1 5 15 A K B -a 77 0A 58 71,-3.1 73,-3.2 -2,-0.3 5,-0.1 -0.751 36.0-139.8 -74.6 99.5 11.7 7.1 -7.8 6 16 A L > - 0 0 60 -2,-1.1 4,-1.0 71,-0.2 3,-0.4 -0.165 20.8-101.9 -63.1 157.5 8.4 8.9 -7.3 7 17 A K T >4>S+ 0 0 25 1,-0.2 5,-2.2 2,-0.2 3,-1.0 0.876 122.0 45.9 -45.0 -54.1 5.0 7.1 -7.5 8 18 A R G >45S+ 0 0 178 1,-0.2 3,-1.9 3,-0.2 -1,-0.2 0.856 103.5 65.6 -59.2 -38.0 4.2 8.4 -11.1 9 19 A Q G 345S+ 0 0 83 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.746 108.1 38.8 -64.5 -22.2 7.7 7.6 -12.2 10 20 A W G <<5S- 0 0 4 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.221 119.8-105.1-108.8 15.1 7.0 3.9 -11.7 11 21 A G T < 5 + 0 0 46 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.652 64.6 159.2 79.3 16.5 3.4 3.9 -12.9 12 22 A G < - 0 0 14 -5,-2.2 -1,-0.2 -6,-0.2 37,-0.1 -0.337 39.6-112.9 -76.6 154.2 1.7 3.7 -9.5 13 23 A K - 0 0 134 1,-0.1 -1,-0.1 36,-0.1 3,-0.1 -0.492 35.7 -96.9 -84.7 151.5 -1.8 4.7 -8.7 14 24 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.298 49.3 -92.8 -62.1 155.7 -2.7 7.7 -6.5 15 25 A S - 0 0 33 1,-0.1 48,-0.2 65,-0.1 3,-0.1 -0.378 21.0-141.0 -69.9 147.3 -3.6 6.9 -2.8 16 26 A L S S+ 0 0 125 46,-3.0 2,-0.2 1,-0.3 47,-0.1 0.523 85.8 13.1 -86.5 -5.7 -7.2 6.3 -1.9 17 27 A G - 0 0 25 45,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.795 69.2-141.2-174.4 124.0 -6.9 8.2 1.4 18 28 A L + 0 0 100 -2,-0.2 2,-0.4 -3,-0.1 66,-0.1 -0.786 15.6 178.3 -96.6 130.1 -4.3 10.6 2.9 19 29 A H - 0 0 81 -2,-0.4 66,-3.1 66,-0.2 2,-0.1 -0.947 24.1-140.9-128.2 110.3 -3.3 10.5 6.6 20 30 A Y B -G 84 0B 181 -2,-0.4 2,-0.3 64,-0.2 64,-0.2 -0.378 14.1-138.7 -71.3 143.6 -0.5 13.0 7.4 21 31 A Q - 0 0 23 62,-2.1 74,-0.1 1,-0.1 2,-0.1 -0.684 21.5-100.4 -99.3 156.2 2.2 12.1 9.9 22 32 A V - 0 0 100 72,-0.5 61,-0.1 -2,-0.3 -1,-0.1 -0.378 50.8-102.8 -60.1 152.2 3.8 14.1 12.7 23 33 A R S S+ 0 0 157 -2,-0.1 2,-0.1 2,-0.1 107,-0.1 -0.990 98.3 36.0-130.5 135.7 7.2 15.5 11.8 24 34 A P S S- 0 0 68 0, 0.0 2,-0.3 0, 0.0 107,-0.3 0.689 83.7-143.8 -77.0 167.8 9.8 14.5 12.6 25 35 A I E -b 131 0A 5 105,-2.3 107,-2.7 -2,-0.1 71,-0.1 -0.771 9.3-164.5 -92.9 142.5 9.2 10.7 12.6 26 36 A R E + 0 0 69 69,-0.7 110,-2.9 -2,-0.3 2,-0.4 0.740 62.6 59.6-104.9 -22.5 11.0 8.7 15.3 27 37 A Y E -bc 136 96A 17 68,-1.6 70,-2.6 108,-0.2 2,-0.5 -0.904 51.3-168.6-117.1 136.6 10.8 5.1 14.1 28 38 A V E -bc 137 97A 0 108,-2.8 110,-3.3 -2,-0.4 2,-0.5 -0.978 14.3-161.1-114.8 122.8 12.1 3.4 11.0 29 39 A V E -bc 138 98A 0 68,-2.3 70,-2.7 -2,-0.5 2,-0.4 -0.937 6.8-146.1-111.6 126.4 10.8 -0.2 10.5 30 40 A I E +bc 139 99A 0 108,-3.2 110,-2.2 -2,-0.5 2,-0.3 -0.785 25.0 165.4 -99.3 133.3 12.6 -2.5 8.1 31 41 A H E - c 0 100A 6 68,-2.7 70,-3.1 -2,-0.4 2,-0.3 -0.824 28.4-141.1-131.3 166.1 10.8 -5.1 6.1 32 42 A H E - c 0 101A 8 -2,-0.3 70,-0.2 68,-0.3 72,-0.1 -0.885 21.3-131.9-116.7 162.6 11.3 -7.5 3.2 33 43 A T - 0 0 16 68,-1.4 71,-0.2 70,-0.8 69,-0.1 0.658 24.6-132.6 -89.2 -11.7 8.5 -8.1 0.6 34 44 A V S S+ 0 0 99 69,-1.9 70,-0.2 1,-0.2 2,-0.2 0.854 75.0 114.1 57.8 34.4 8.6 -12.0 0.5 35 45 A T S S- 0 0 48 68,-0.7 -1,-0.2 1,-0.2 -2,-0.1 -0.565 78.6 -81.7-119.4 175.5 8.6 -11.4 -3.2 36 46 A G - 0 0 50 -2,-0.2 -1,-0.2 67,-0.2 2,-0.1 -0.264 54.0-100.5 -66.6 171.3 11.2 -12.0 -5.9 37 47 A E - 0 0 87 66,-0.1 2,-0.3 67,-0.1 66,-0.2 -0.460 37.5-164.3 -87.7 171.8 14.0 -9.5 -6.4 38 48 A b - 0 0 8 64,-0.4 34,-1.9 -2,-0.1 35,-0.6 -0.992 12.0-165.4-154.5 151.7 14.2 -6.8 -9.1 39 49 A S > + 0 0 64 -2,-0.3 4,-0.5 33,-0.2 5,-0.1 -0.994 58.1 14.8-141.8 139.0 16.6 -4.5 -10.8 40 50 A G H > S- 0 0 30 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 0.178 92.1 -77.6 79.5 156.2 15.9 -1.5 -13.0 41 51 A L H > S+ 0 0 72 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.841 120.1 62.1 -57.9 -42.0 12.6 0.3 -13.5 42 52 A L H > S+ 0 0 133 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.943 115.5 28.5 -57.7 -54.9 11.0 -2.2 -15.8 43 53 A K H X S+ 0 0 113 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.819 120.6 54.9 -76.6 -32.7 10.9 -5.2 -13.4 44 54 A b H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.948 107.9 49.9 -65.5 -42.6 10.7 -3.1 -10.3 45 55 A A H X S+ 0 0 11 -4,-3.5 4,-2.6 -5,-0.2 5,-0.2 0.848 107.3 54.0 -62.2 -39.7 7.6 -1.2 -11.6 46 56 A E H X S+ 0 0 103 -4,-1.3 4,-2.5 -5,-0.3 5,-0.2 0.960 111.6 44.8 -59.3 -51.7 5.8 -4.5 -12.5 47 57 A I H X S+ 0 0 34 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.934 115.9 46.7 -58.0 -47.6 6.3 -5.8 -8.9 48 58 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.878 111.9 50.5 -65.1 -39.8 5.3 -2.5 -7.3 49 59 A Q H X S+ 0 0 83 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.925 114.1 43.9 -64.9 -46.2 2.2 -2.1 -9.5 50 60 A N H X S+ 0 0 104 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.906 115.1 50.3 -64.5 -39.8 1.0 -5.6 -8.7 51 61 A M H X S+ 0 0 21 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.898 111.0 47.1 -65.2 -44.6 1.8 -5.1 -5.0 52 62 A Q H X S+ 0 0 4 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.939 112.2 50.5 -63.0 -47.8 -0.1 -1.8 -4.8 53 63 A A H X>S+ 0 0 35 -4,-2.3 4,-3.3 1,-0.2 5,-0.5 0.938 111.9 48.5 -53.7 -48.2 -3.1 -3.3 -6.6 54 64 A Y H X>S+ 0 0 129 -4,-2.6 5,-1.7 1,-0.2 4,-1.3 0.908 114.6 45.7 -58.0 -42.9 -3.0 -6.2 -4.2 55 65 A H H <5S+ 0 0 16 -4,-2.4 6,-2.7 3,-0.2 -2,-0.2 0.922 120.0 38.8 -67.9 -44.0 -2.8 -3.8 -1.2 56 66 A Q H <5S+ 0 0 17 -4,-3.6 4,-0.2 4,-0.2 -2,-0.2 0.928 127.6 32.2 -73.5 -44.8 -5.5 -1.5 -2.5 57 67 A N H <5S+ 0 0 111 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.957 132.0 22.4 -81.9 -52.1 -7.9 -4.2 -3.8 58 68 A E T < - 0 0 0 4,-1.9 3,-2.6 -2,-0.5 -32,-0.2 -0.438 38.0 -99.8 -95.4 168.7 15.5 -2.8 -5.2 72 82 A N T 3 S+ 0 0 68 -34,-1.9 42,-0.4 1,-0.3 41,-0.3 0.807 120.2 68.8 -54.1 -30.9 18.7 -4.7 -6.0 73 83 A D T 3 S- 0 0 39 -35,-0.6 -1,-0.3 40,-0.1 3,-0.1 0.567 114.2-116.8 -63.6 -11.5 19.6 -1.7 -8.2 74 84 A G S < S+ 0 0 18 -3,-2.6 2,-0.4 1,-0.3 -2,-0.1 0.675 70.8 135.7 78.3 15.7 20.0 0.4 -5.0 75 85 A I - 0 0 43 -4,-0.1 -4,-1.9 -73,-0.1 2,-0.6 -0.795 53.3-132.5 -98.1 144.3 17.2 2.7 -6.0 76 86 A V E - D 0 70A 0 -73,-0.5 -71,-3.1 -2,-0.4 2,-0.5 -0.846 18.8-156.0 -95.0 119.1 14.5 3.9 -3.5 77 87 A Y E -aD 5 69A 3 -8,-3.8 -8,-2.4 -2,-0.6 2,-0.3 -0.864 20.7-119.4 -99.5 127.4 11.0 3.5 -5.0 78 88 A E E + D 0 68A 48 -73,-3.2 -10,-0.2 -2,-0.5 -68,-0.1 -0.503 39.5 164.6 -67.3 125.2 8.3 5.7 -3.4 79 89 A G S S- 0 0 1 -12,-2.6 -12,-0.3 -2,-0.3 -11,-0.2 0.465 83.4 -21.5 -98.9-106.0 5.5 3.9 -1.8 80 90 A T S S- 0 0 9 -14,-2.2 -13,-0.2 -16,-0.2 -12,-0.1 0.772 99.2-151.6 -73.9 -22.2 3.5 6.1 0.5 81 91 A G > - 0 0 0 -14,-2.6 3,-0.9 -15,-0.2 -1,-0.1 -0.120 34.5 -28.8 78.5 179.5 6.6 8.4 0.7 82 92 A W T 3 S+ 0 0 47 1,-0.2 3,-0.1 -3,-0.1 15,-0.0 -0.398 124.1 15.6 -64.9 140.9 7.7 10.8 3.5 83 93 A G T 3 S+ 0 0 27 1,-0.2 -62,-2.1 47,-0.1 2,-0.4 0.489 100.4 101.1 82.1 3.6 5.1 12.3 5.8 84 94 A L B < S-G 20 0B 37 -3,-0.9 2,-0.2 -64,-0.2 -64,-0.2 -0.984 73.7-113.6-127.3 136.7 2.2 9.9 4.9 85 95 A R - 0 0 108 -66,-3.1 -66,-0.2 -2,-0.4 9,-0.2 -0.447 33.1-172.6 -69.3 124.5 0.9 7.0 7.0 86 96 A G - 0 0 8 7,-0.5 -20,-0.2 10,-0.3 -21,-0.2 -0.040 28.1-123.2 -91.3-153.5 1.3 3.6 5.4 87 97 A A S S+ 0 0 31 -22,-2.0 -21,-0.2 -23,-0.1 -22,-0.2 -0.110 71.9 112.3-146.7 36.6 -0.0 0.2 6.6 88 98 A H S S+ 0 0 17 -23,-0.8 2,-0.3 1,-0.2 -22,-0.1 0.732 77.9 29.4 -90.4 -27.5 3.2 -1.9 6.9 89 99 A T S > S- 0 0 0 -24,-0.2 3,-2.8 7,-0.1 4,-0.3 -0.914 79.2-120.4-146.1 112.4 3.4 -2.3 10.7 90 100 A Y T 3 S+ 0 0 203 -2,-0.3 -3,-0.0 1,-0.3 -2,-0.0 -0.223 102.3 7.1 -52.4 125.3 0.6 -2.5 13.4 91 101 A G T 3 S+ 0 0 50 78,-0.1 -1,-0.3 1,-0.0 4,-0.1 0.430 124.5 69.3 81.9 -1.1 1.1 0.3 15.9 92 102 A Y < + 0 0 10 -3,-2.8 4,-0.2 2,-0.1 -2,-0.2 0.134 68.0 87.8-136.7 19.1 4.0 1.9 13.8 93 103 A N S S+ 0 0 32 -4,-0.3 -7,-0.5 2,-0.2 5,-0.1 0.893 95.7 39.5 -81.6 -45.2 2.3 3.3 10.7 94 104 A A S S+ 0 0 51 1,-0.2 -72,-0.5 -9,-0.2 -2,-0.1 0.877 130.2 30.5 -69.3 -38.8 1.4 6.7 12.2 95 105 A I S S+ 0 0 64 -4,-0.1 -68,-1.6 -74,-0.1 -69,-0.7 0.329 116.1 66.5-107.1 3.5 4.7 7.1 14.1 96 106 A G E -c 27 0A 0 -4,-0.2 2,-0.6 -70,-0.2 -10,-0.3 -0.880 65.6-136.5-129.3 157.1 7.0 5.1 11.8 97 107 A T E -c 28 0A 0 -70,-2.6 -68,-2.3 -2,-0.3 2,-0.6 -0.972 27.5-148.3-108.3 114.7 8.5 5.1 8.3 98 108 A G E -c 29 0A 0 -2,-0.6 -30,-2.0 -70,-0.2 -31,-1.6 -0.760 16.3-176.6 -92.6 122.7 8.2 1.6 6.8 99 109 A I E -ce 30 68A 1 -70,-2.7 -68,-2.7 -2,-0.6 2,-0.5 -0.979 4.7-166.3-122.7 119.1 11.0 0.6 4.4 100 110 A A E -ce 31 69A 0 -32,-2.2 -30,-2.6 -2,-0.5 2,-0.5 -0.907 15.7-141.7-110.1 131.0 10.9 -2.7 2.6 101 111 A F E -ce 32 70A 0 -70,-3.1 -68,-1.4 -2,-0.5 2,-0.6 -0.785 31.5-119.0 -83.1 131.3 13.7 -4.3 0.8 102 112 A I S S+ 0 0 3 -32,-2.8 -64,-0.4 -2,-0.5 2,-0.3 -0.606 79.3 33.0 -78.7 117.3 12.3 -6.0 -2.4 103 113 A G S S- 0 0 0 -2,-0.6 -69,-1.9 -66,-0.2 -70,-0.8 -0.908 97.0 -65.3 134.7-166.7 13.0 -9.7 -2.2 104 114 A N + 0 0 59 -2,-0.3 3,-0.3 -70,-0.2 4,-0.2 -0.958 40.8 177.4-128.6 111.2 13.2 -12.4 0.5 105 115 A F + 0 0 3 -2,-0.5 48,-1.8 44,-0.4 47,-0.4 -0.064 45.6 109.9-118.0 36.3 16.1 -12.1 3.0 106 116 A V S S+ 0 0 53 44,-0.2 46,-1.5 45,-0.2 -1,-0.2 0.941 101.5 17.5 -61.7 -50.2 15.7 -14.9 5.4 107 117 A D S S+ 0 0 147 -3,-0.3 2,-0.3 44,-0.1 -1,-0.1 0.430 130.2 34.5-109.3 -3.1 18.8 -16.7 4.0 108 118 A K S S- 0 0 95 -4,-0.2 45,-0.3 0, 0.0 44,-0.1 -0.933 73.1-112.6-146.4 167.0 20.5 -13.9 2.1 109 119 A L - 0 0 73 -2,-0.3 3,-0.1 43,-0.1 -5,-0.1 -0.619 34.8-105.5 -94.7 158.4 21.2 -10.1 2.2 110 120 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.335 59.5 -74.6 -66.8 165.9 20.0 -7.5 -0.2 111 121 A S > - 0 0 31 1,-0.1 4,-2.3 -2,-0.1 3,-0.3 -0.229 42.2-109.9 -62.8 155.9 22.6 -6.2 -2.7 112 122 A D H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 121.0 55.4 -52.1 -40.9 25.4 -3.8 -1.4 113 123 A A H > S+ 0 0 49 -41,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.900 107.2 48.9 -59.2 -43.1 23.7 -1.0 -3.4 114 124 A A H > S+ 0 0 1 -42,-0.4 4,-2.1 -3,-0.3 -2,-0.2 0.938 111.8 48.8 -61.6 -48.4 20.3 -1.6 -1.7 115 125 A L H X S+ 0 0 13 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.890 114.3 45.7 -59.8 -39.9 22.0 -1.6 1.8 116 126 A Q H X S+ 0 0 96 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.885 109.1 54.3 -72.2 -39.0 23.8 1.6 1.0 117 127 A A H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.896 107.3 52.8 -58.6 -40.7 20.8 3.3 -0.5 118 128 A A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.934 109.3 46.8 -62.0 -49.5 18.9 2.6 2.7 119 129 A K H X S+ 0 0 78 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.879 113.4 50.0 -58.2 -41.5 21.6 4.2 5.0 120 130 A D H X S+ 0 0 58 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.936 108.0 53.6 -65.1 -44.3 21.7 7.2 2.6 121 131 A L H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.902 111.2 46.0 -56.0 -42.0 17.9 7.4 2.8 122 132 A L H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.906 113.1 48.1 -69.3 -43.6 18.1 7.5 6.7 123 133 A A H X S+ 0 0 61 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.891 114.0 47.0 -63.9 -41.7 20.9 10.1 6.8 124 134 A a H X S+ 0 0 13 -4,-2.8 4,-2.7 2,-0.2 6,-0.3 0.880 109.0 54.8 -66.8 -39.2 19.1 12.3 4.3 125 135 A G H <>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.3 6,-1.8 0.860 110.9 45.4 -58.9 -38.9 15.8 12.0 6.2 126 136 A V H ><5S+ 0 0 24 -4,-1.8 3,-1.4 4,-0.2 -2,-0.2 0.957 114.2 49.3 -65.9 -49.8 17.6 13.1 9.4 127 137 A Q H 3<5S+ 0 0 146 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.857 113.5 45.6 -57.9 -40.2 19.2 16.0 7.5 128 138 A Q T 3<5S- 0 0 95 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.448 117.7-110.1 -85.1 -5.3 16.0 17.1 5.9 129 139 A G T < 5S+ 0 0 27 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.623 86.6 119.3 81.9 14.2 14.1 16.9 9.2 130 140 A E S - 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0 0 54 -2,-0.9 -2,-0.1 -5,-0.2 -3,-0.0 -0.923 69.7-128.2-170.5 157.1 10.3 -4.1 29.6 317 157 B Q > + 0 0 136 -2,-0.3 3,-2.8 2,-0.1 -6,-0.2 0.614 61.5 156.3 -88.6 -17.4 8.5 -5.5 32.6 318 158 B S T 3 + 0 0 3 1,-0.4 -7,-1.8 -8,-0.1 -2,-0.1 -0.255 57.1 25.9 -54.3 135.6 9.5 -2.4 34.6 319 159 B P T 3 S- 0 0 0 0, 0.0 -1,-0.4 0, 0.0 4,-0.3 -0.915 113.6-112.0 -92.7 24.9 8.3 -1.2 36.9 320 160 B G <> - 0 0 0 -3,-2.8 4,-3.2 3,-0.1 5,-0.2 0.226 25.8 -90.9 95.8 140.6 7.0 -4.7 37.7 321 161 B L H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.886 122.8 47.5 -50.0 -54.1 3.4 -6.1 37.7 322 162 B T H > S+ 0 0 44 -46,-1.7 4,-1.7 -47,-0.4 -1,-0.2 0.914 117.4 42.5 -57.3 -46.2 2.6 -5.4 41.3 323 163 B L H > S+ 0 0 0 -48,-1.4 4,-2.7 -45,-0.3 5,-0.3 0.917 111.5 54.9 -68.1 -45.0 3.9 -1.8 41.1 324 164 B Y H X S+ 0 0 51 -4,-3.2 4,-1.2 -49,-0.2 -1,-0.2 0.869 108.2 50.0 -52.7 -40.3 2.3 -1.2 37.7 325 165 B N H < S+ 0 0 77 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.876 110.5 50.6 -69.2 -39.4 -1.1 -2.3 39.2 326 166 B E H >< S+ 0 0 47 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.930 109.7 47.7 -62.0 -48.2 -0.5 0.1 42.1 327 167 B I H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 6,-0.2 0.723 97.5 70.9 -71.2 -21.2 0.3 3.2 39.9 328 168 B Q T 3< S+ 0 0 63 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.727 95.7 55.8 -59.6 -25.3 -2.8 2.4 37.8 329 169 B E T < S+ 0 0 152 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.363 88.8 109.6 -84.5 1.1 -4.7 3.6 40.9 330 170 B W S X S- 0 0 17 -3,-1.8 3,-1.8 1,-0.1 -23,-0.1 -0.546 80.9-111.5 -89.4 147.1 -2.9 6.9 40.9 331 171 B P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.786 110.8 37.7 -38.5 -49.4 -4.5 10.3 40.0 332 172 B H T 3 S+ 0 0 58 -26,-0.1 -25,-2.2 2,-0.1 -4,-0.1 0.277 76.8 143.3 -98.7 11.8 -2.6 11.0 36.7 333 173 B W B < -n 307 0D 68 -3,-1.8 2,-0.6 -6,-0.2 -25,-0.2 -0.253 36.0-154.7 -56.1 130.1 -2.3 7.5 35.2 334 174 B L - 0 0 63 -27,-2.4 -1,-0.1 1,-0.1 -2,-0.1 -0.952 3.2-162.6-109.3 114.5 -2.7 7.5 31.4 335 175 B S S S+ 0 0 70 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.848 80.8 25.3 -69.3 -39.1 -4.0 4.2 30.0 336 176 B N + 0 0 124 1,-0.1 -1,-0.3 -28,-0.0 -28,-0.0 -0.755 54.7 175.2-133.0 90.1 -3.0 4.6 26.4 337 177 B P 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.653 360.0 360.0 -58.6 -17.1 -0.0 7.0 25.7 338 178 B H 0 0 128 -26,-0.1 -247,-0.0 -3,-0.1 -3,-0.0 -0.393 360.0 360.0 -85.7 360.0 -0.4 5.8 22.1