==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-SEP-03 1QWV . COMPND 2 MOLECULE: PHEROMONE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANTHERAEA POLYPHEMUS; . AUTHOR S.MOHANTY,S.ZUBKOV,A.M.GRONENBORN . 142 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 1 0.7 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 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 2 0 2 1 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S > 0 0 86 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 148.2 -4.7 -15.5 -2.6 2 2 A P H > + 0 0 90 0, 0.0 4,-1.2 0, 0.0 0, 0.0 0.709 360.0 79.6 -65.6 -21.3 -7.8 -13.2 -2.4 3 3 A E H >4 S+ 0 0 114 1,-0.2 3,-1.0 2,-0.2 79,-0.0 0.969 106.9 23.7 -46.0 -69.1 -7.4 -13.1 1.4 4 4 A I H 34 S+ 0 0 78 -3,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.588 112.4 73.6 -80.6 -9.7 -4.5 -10.6 1.5 5 5 A M H 3< S+ 0 0 126 -4,-0.9 2,-1.5 1,-0.1 -1,-0.2 0.701 74.3 89.6 -74.0 -21.2 -5.6 -9.2 -1.9 6 6 A K S << S- 0 0 148 -4,-1.2 2,-0.2 -3,-1.0 -1,-0.1 -0.663 82.0-148.1 -74.1 91.7 -8.5 -7.6 -0.1 7 7 A N > - 0 0 71 -2,-1.5 4,-2.0 1,-0.1 3,-0.3 -0.477 12.1-142.8 -73.0 131.8 -6.7 -4.4 0.7 8 8 A L H > S+ 0 0 51 1,-0.2 4,-3.0 -2,-0.2 -1,-0.1 0.916 103.5 52.2 -56.0 -47.5 -7.5 -2.6 3.9 9 9 A S H > S+ 0 0 13 43,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.811 109.4 50.8 -61.9 -30.0 -7.2 0.8 2.3 10 10 A N H 4 S+ 0 0 124 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.854 111.2 47.6 -75.3 -36.0 -9.5 -0.4 -0.4 11 11 A N H < S+ 0 0 120 -4,-2.0 -2,-0.2 -3,-0.1 -3,-0.2 0.952 116.3 44.1 -68.7 -52.7 -12.1 -1.6 2.1 12 12 A F H < + 0 0 86 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.991 65.5 163.9 -51.4 -78.0 -11.9 1.7 4.1 13 13 A G < + 0 0 32 -4,-1.6 3,-0.3 -5,-0.1 -3,-0.1 0.845 24.0 140.3 55.5 35.5 -12.0 4.3 1.3 14 14 A K S S+ 0 0 177 1,-0.3 2,-0.4 -5,-0.1 -1,-0.1 0.902 70.2 15.6 -75.6 -41.2 -12.8 6.9 4.0 15 15 A A > + 0 0 34 1,-0.1 4,-0.7 2,-0.1 -1,-0.3 -0.842 57.6 162.7-143.9 99.4 -10.6 9.8 2.6 16 16 A M H > S+ 0 0 83 -2,-0.4 4,-2.3 -3,-0.3 3,-0.2 0.921 81.2 48.4 -81.3 -46.7 -9.2 9.7 -0.9 17 17 A D H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.826 112.3 49.4 -66.1 -30.7 -8.3 13.4 -1.2 18 18 A Q H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.749 111.5 46.9 -87.8 -22.0 -6.6 13.5 2.1 19 19 A a H X S+ 0 0 13 -4,-0.7 4,-2.0 -3,-0.2 6,-0.3 0.850 111.4 55.1 -75.2 -35.0 -4.5 10.4 1.4 20 20 A K H X>S+ 0 0 78 -4,-2.3 5,-1.5 1,-0.2 4,-0.5 0.915 113.7 39.5 -61.2 -45.6 -3.8 12.0 -1.9 21 21 A D H <5S+ 0 0 105 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.898 109.5 60.5 -71.2 -40.4 -2.5 15.2 -0.2 22 22 A E H <5S+ 0 0 92 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.898 117.8 29.3 -60.1 -44.1 -0.7 13.4 2.6 23 23 A L H <5S- 0 0 43 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.564 104.3-131.0 -88.4 -8.6 1.7 11.5 0.2 24 24 A S T <5 - 0 0 87 -4,-0.5 -3,-0.2 -5,-0.3 -4,-0.1 0.847 33.5-162.6 57.7 37.6 1.4 14.4 -2.3 25 25 A L < - 0 0 7 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.0 -0.262 12.6-127.2 -54.1 121.5 0.7 11.7 -4.9 26 26 A P >> - 0 0 59 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.350 24.1-109.7 -65.0 155.4 1.2 13.1 -8.4 27 27 A D H 3> S+ 0 0 133 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.833 117.3 58.5 -60.7 -32.0 -1.7 12.7 -10.8 28 28 A S H 3> S+ 0 0 77 2,-0.2 4,-1.8 3,-0.2 -1,-0.3 0.896 111.4 40.2 -63.8 -40.4 0.2 10.1 -12.8 29 29 A V H <> S+ 0 0 13 -3,-0.6 4,-3.4 2,-0.2 5,-0.2 0.974 114.5 47.1 -76.2 -55.7 0.7 7.8 -9.8 30 30 A V H X S+ 0 0 20 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.826 114.5 51.7 -59.6 -28.8 -2.7 8.0 -8.1 31 31 A A H < S+ 0 0 59 -4,-1.6 3,-0.3 -5,-0.3 -1,-0.2 0.947 112.9 41.5 -69.6 -51.4 -4.3 7.5 -11.6 32 32 A D H >< S+ 0 0 69 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.867 109.8 61.0 -64.3 -36.0 -2.3 4.4 -12.4 33 33 A L H 3< S+ 0 0 54 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.855 100.1 55.0 -55.6 -38.6 -2.8 3.3 -8.8 34 34 A Y T 3< S+ 0 0 127 -4,-1.2 2,-0.7 -3,-0.3 -1,-0.3 0.323 74.8 132.2 -78.5 8.9 -6.6 3.3 -9.6 35 35 A N < - 0 0 68 -3,-2.0 4,-0.1 1,-0.2 -3,-0.1 -0.506 36.1-173.4 -65.7 107.7 -6.0 0.9 -12.5 36 36 A F + 0 0 192 -2,-0.7 2,-0.3 2,-0.1 -1,-0.2 0.675 54.7 97.9 -81.2 -18.4 -8.7 -1.6 -11.8 37 37 A W S S- 0 0 203 1,-0.1 2,-2.2 -3,-0.1 3,-0.3 -0.568 82.4-125.4 -73.5 131.7 -7.5 -4.0 -14.6 38 38 A K + 0 0 194 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.260 51.3 152.0 -80.7 53.3 -5.3 -6.7 -13.1 39 39 A D - 0 0 112 -2,-2.2 -1,-0.2 -4,-0.1 -3,-0.0 0.847 43.4-145.5 -43.7 -42.7 -2.3 -6.1 -15.4 40 40 A D + 0 0 154 -3,-0.3 2,-0.1 1,-0.1 -2,-0.1 0.990 34.7 167.5 66.4 61.3 -0.0 -7.5 -12.6 41 41 A Y - 0 0 100 1,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.409 42.8 -83.1 -97.3 177.3 2.9 -5.2 -13.3 42 42 A V - 0 0 91 -2,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.726 42.9-118.8 -84.3 126.4 6.0 -4.4 -11.3 43 43 A M + 0 0 62 -2,-0.5 73,-0.1 1,-0.2 -1,-0.1 -0.545 47.4 160.5 -67.1 103.5 5.5 -1.8 -8.6 44 44 A T + 0 0 90 -2,-0.9 2,-0.6 1,-0.1 -1,-0.2 0.706 46.6 74.4-101.7 -26.7 7.9 0.9 -9.7 45 45 A D >> - 0 0 38 1,-0.1 4,-1.6 -16,-0.1 3,-1.5 -0.831 62.4-151.7-101.6 122.5 6.6 4.0 -7.9 46 46 A R H 3> S+ 0 0 78 -2,-0.6 4,-2.9 1,-0.3 5,-0.2 0.841 97.4 62.9 -47.6 -40.9 7.2 4.5 -4.2 47 47 A L H 3> S+ 0 0 38 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.754 104.7 48.3 -65.9 -19.2 4.0 6.6 -4.0 48 48 A A H <> S+ 0 0 9 -3,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.964 110.9 47.2 -82.1 -61.2 2.0 3.6 -5.0 49 49 A G H X S+ 0 0 3 -4,-1.6 4,-0.6 1,-0.2 3,-0.3 0.866 116.4 46.7 -39.1 -48.1 3.6 1.2 -2.6 50 50 A b H >< S+ 0 0 36 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.915 106.0 57.5 -67.3 -41.9 3.1 3.8 0.2 51 51 A A H >X S+ 0 0 7 -4,-1.4 3,-1.5 1,-0.3 4,-0.6 0.754 92.6 71.0 -63.2 -23.9 -0.5 4.5 -0.8 52 52 A I H 3< S+ 0 0 70 -4,-1.5 -43,-0.5 1,-0.3 -1,-0.3 0.890 111.2 29.9 -58.1 -39.2 -1.3 0.8 -0.3 53 53 A N T << S+ 0 0 85 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 -0.208 99.7 94.7-113.8 42.8 -0.9 1.4 3.5 54 54 A a T <> S+ 0 0 4 -3,-1.5 4,-3.1 3,-0.2 5,-0.3 0.881 75.5 51.9 -98.7 -46.4 -2.0 5.0 3.5 55 55 A L H X S+ 0 0 27 -4,-0.6 4,-0.9 1,-0.2 -2,-0.1 0.953 118.8 32.1 -60.3 -55.9 -5.7 4.9 4.3 56 56 A A H > S+ 0 0 5 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.691 121.9 51.3 -82.1 -16.6 -5.7 2.8 7.5 57 57 A T H 4 S+ 0 0 26 2,-0.2 4,-0.2 1,-0.1 -2,-0.2 0.881 109.0 47.4 -84.9 -42.4 -2.3 4.1 8.5 58 58 A K H < S+ 0 0 107 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.680 106.8 63.4 -72.8 -16.0 -3.1 7.8 8.3 59 59 A L H < S- 0 0 105 -4,-0.9 2,-0.2 -5,-0.3 -2,-0.2 0.994 129.5 -48.3 -63.8 -65.9 -6.3 7.0 10.2 60 60 A D S < S+ 0 0 120 -4,-1.1 -1,-0.2 1,-0.0 -2,-0.1 -0.708 83.9 118.9-176.3 119.1 -4.5 5.9 13.4 61 61 A V + 0 0 7 -4,-0.2 2,-0.6 -2,-0.2 12,-0.2 0.161 29.1 143.6-175.6 31.2 -1.6 3.4 13.9 62 62 A V - 0 0 65 1,-0.2 5,-0.1 10,-0.1 7,-0.1 -0.722 23.8-175.7 -93.3 118.7 1.3 5.2 15.5 63 63 A D S S+ 0 0 79 -2,-0.6 -1,-0.2 3,-0.1 6,-0.1 0.949 71.6 20.5 -70.3 -53.3 3.4 3.2 18.0 64 64 A P S S- 0 0 51 0, 0.0 4,-0.1 0, 0.0 5,-0.1 0.166 118.8 -45.6 -99.0-143.8 5.8 6.0 19.1 65 65 A D S S- 0 0 131 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.521 104.3 -67.3 -72.2 -5.7 5.8 9.9 19.0 66 66 A G S S+ 0 0 33 1,-0.8 3,-0.4 0, 0.0 -3,-0.1 -0.318 116.6 63.5 151.4 -61.0 4.6 9.9 15.4 67 67 A N S S+ 0 0 99 1,-0.2 -1,-0.8 -5,-0.1 3,-0.1 -0.395 89.5 40.5 -85.4 165.5 7.3 8.5 13.2 68 68 A L + 0 0 120 1,-0.2 2,-2.4 -2,-0.1 3,-0.4 0.774 63.9 169.9 69.1 29.8 8.7 5.0 13.3 69 69 A H + 0 0 66 -3,-0.4 4,-0.3 1,-0.2 -1,-0.2 -0.446 22.4 136.2 -73.4 74.3 5.3 3.4 13.8 70 70 A H > + 0 0 118 -2,-2.4 4,-1.8 -3,-0.1 5,-0.2 0.921 61.6 47.6 -86.4 -50.9 6.5 -0.2 13.2 71 71 A G H >> S+ 0 0 20 -3,-0.4 4,-2.9 1,-0.2 3,-0.5 0.958 112.9 43.3 -61.4 -61.7 4.8 -2.2 16.0 72 72 A N H 3> S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.794 110.8 58.1 -56.7 -31.1 1.2 -1.0 15.7 73 73 A A H 3> S+ 0 0 33 -4,-0.3 4,-1.4 -12,-0.2 -1,-0.2 0.912 113.6 37.1 -69.7 -38.0 1.3 -1.2 11.9 74 74 A K H S+ 0 0 33 -4,-1.4 5,-1.8 1,-0.2 -1,-0.2 0.872 109.4 50.8 -68.9 -37.1 -2.3 -6.0 10.0 78 78 A M H <5S+ 0 0 53 -4,-1.9 6,-0.2 1,-0.2 -1,-0.2 0.727 114.8 43.4 -73.6 -23.5 -2.3 -9.1 12.1 79 79 A K H <5S+ 0 0 123 -4,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.610 123.9 36.3 -93.2 -14.3 -5.6 -8.1 13.7 80 80 A H T <5S- 0 0 97 -4,-1.1 2,-0.5 2,-0.2 -1,-0.2 -0.796 128.6 -14.0-145.0 95.4 -7.1 -7.0 10.4 81 81 A G T 5S+ 0 0 50 -2,-0.3 2,-0.4 -3,-0.2 -3,-0.1 -0.599 118.3 51.8 122.4 -70.1 -6.4 -8.8 7.1 82 82 A A S > - 0 0 80 -2,-0.4 4,-2.1 1,-0.1 3,-1.3 -0.350 38.1 -93.5 -80.2 172.6 -3.3 -13.6 10.4 84 84 A E H 3> S+ 0 0 109 1,-0.3 4,-1.7 -6,-0.2 5,-0.1 0.788 124.9 58.5 -65.0 -23.3 -0.2 -13.9 12.3 85 85 A T H 3> S+ 0 0 64 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.877 108.8 44.5 -73.2 -30.9 1.1 -16.7 10.2 86 86 A M H <> S+ 0 0 42 -3,-1.3 4,-1.4 2,-0.2 3,-0.4 0.912 112.8 49.2 -81.9 -41.2 0.9 -14.5 7.0 87 87 A A H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.866 110.7 53.3 -62.3 -33.2 2.4 -11.5 8.7 88 88 A Q H X S+ 0 0 62 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.718 104.7 53.6 -77.7 -21.5 5.1 -13.9 9.9 89 89 A Q H X S+ 0 0 110 -4,-0.8 4,-0.7 -3,-0.4 -1,-0.2 0.770 114.7 43.2 -77.7 -25.3 5.7 -15.1 6.3 90 90 A L H X S+ 0 0 68 -4,-1.4 4,-3.0 2,-0.2 3,-0.4 0.896 104.5 60.2 -85.4 -42.9 6.2 -11.5 5.3 91 91 A V H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.814 101.2 57.2 -56.9 -32.8 8.4 -10.2 8.2 92 92 A D H X S+ 0 0 106 -4,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.928 111.6 39.9 -67.2 -44.9 11.0 -12.8 7.3 93 93 A I H X>S+ 0 0 8 -4,-0.7 4,-3.2 -3,-0.4 5,-0.6 0.924 113.2 57.3 -67.6 -43.7 11.4 -11.4 3.8 94 94 A I H X5S+ 0 0 59 -4,-3.0 4,-1.6 1,-0.2 5,-0.3 0.926 111.1 41.4 -52.7 -48.7 11.1 -7.9 5.0 95 95 A H H X5S+ 0 0 114 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.886 121.8 39.6 -71.7 -36.5 14.0 -8.2 7.4 96 96 A G H X5S+ 0 0 25 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.926 119.0 41.5 -84.3 -44.4 16.3 -10.2 5.0 97 97 A c H <5S+ 0 0 17 -4,-3.2 4,-0.4 2,-0.2 -3,-0.2 0.910 117.2 48.1 -72.2 -41.1 15.6 -8.5 1.7 98 98 A E H >< - 0 0 46 -2,-1.1 4,-1.9 1,-0.1 3,-0.4 -0.745 44.5-155.7-144.0 100.7 14.3 5.8 -1.4 107 107 A K T 4 S+ 0 0 181 1,-0.2 4,-0.5 -2,-0.2 -1,-0.1 0.804 94.8 34.3 -40.8 -44.7 12.4 5.3 1.9 108 108 A b T 4 S+ 0 0 9 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.786 111.3 61.3 -88.1 -24.6 9.3 3.8 0.2 109 109 A M T >> S+ 0 0 41 -3,-0.4 4,-1.6 1,-0.2 3,-1.4 0.788 93.5 63.9 -74.8 -26.4 11.0 2.0 -2.7 110 110 A K H 3X S+ 0 0 83 -4,-1.9 4,-1.7 1,-0.3 -1,-0.2 0.918 96.4 58.7 -60.1 -43.0 13.0 -0.3 -0.3 111 111 A T H 3> S+ 0 0 51 -4,-0.5 4,-1.3 1,-0.2 -1,-0.3 0.651 103.7 53.5 -58.0 -14.9 9.7 -1.7 0.8 112 112 A I H <> S+ 0 0 11 -3,-1.4 4,-3.2 -4,-0.2 5,-0.4 0.865 102.0 55.9 -90.0 -38.0 9.2 -2.6 -2.9 113 113 A D H X S+ 0 0 49 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.846 114.5 41.2 -60.1 -34.1 12.5 -4.5 -3.0 114 114 A V H X S+ 0 0 6 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.890 113.3 53.1 -80.6 -39.5 11.3 -6.6 -0.1 115 115 A A H >X S+ 0 0 51 -4,-1.3 4,-1.7 1,-0.2 3,-0.6 0.948 114.1 40.7 -60.8 -49.6 7.8 -7.0 -1.4 116 116 A M H 3X S+ 0 0 49 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.817 110.9 60.4 -69.8 -24.7 8.9 -8.2 -4.8 117 117 A c H 3X S+ 0 0 35 -4,-0.8 4,-1.9 -5,-0.4 -1,-0.2 0.761 103.3 52.6 -71.2 -23.3 11.5 -10.3 -2.9 118 118 A F H X S+ 0 0 90 -4,-1.9 4,-1.8 2,-0.2 3,-0.7 0.955 113.7 47.9 -57.5 -54.9 10.6 -16.3 -2.6 122 122 A I H 3X S+ 0 0 69 -4,-3.1 4,-1.9 1,-0.3 -1,-0.2 0.834 110.7 54.2 -58.1 -32.2 7.0 -17.7 -2.8 123 123 A H H 3< S+ 0 0 135 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.813 104.0 53.6 -71.2 -30.6 7.6 -18.3 -6.6 124 124 A K H << S+ 0 0 157 -4,-1.6 3,-0.2 -3,-0.7 -2,-0.2 0.835 108.6 49.4 -72.3 -33.1 10.7 -20.3 -5.8 125 125 A L H < S+ 0 0 97 -4,-1.8 2,-1.0 1,-0.2 -2,-0.2 0.897 82.2 147.6 -66.4 -40.0 8.6 -22.4 -3.5 126 126 A N < + 0 0 100 -4,-1.9 2,-1.0 -5,-0.2 -1,-0.2 -0.174 47.5 66.3 49.5 -85.0 6.1 -22.7 -6.4 127 127 A W + 0 0 212 -2,-1.0 -1,-0.1 -3,-0.2 -4,-0.0 -0.558 58.7 147.4 -77.8 100.2 4.7 -26.2 -5.9 128 128 A V - 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