==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/RECEPTOR 01-JUN-11 3S9D . COMPND 2 MOLECULE: INTERFERON ALPHA-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.THOMAS,K.C.GARCIA . 609 15 8 3 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 22.8 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 . 8 1.3 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 . 60 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 2 0 2 0 0 0 0 0 1 2 1 1 0 0 3 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 2 4 3 4 1 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 2 4 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 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 8 A S > 0 0 108 0, 0.0 4,-1.0 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0-113.2 30.0 19.3 46.0 2 9 A L H > + 0 0 57 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.507 360.0 71.4 -73.9 -10.3 32.7 16.7 46.4 3 10 A G H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 93.3 48.4 -68.9 -40.9 32.8 18.9 49.5 4 11 A S H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 113.2 47.9 -63.2 -45.2 29.5 17.4 50.7 5 12 A R H X S+ 0 0 58 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.926 111.1 50.2 -62.8 -44.3 30.9 13.9 50.0 6 13 A R H X S+ 0 0 109 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.875 108.5 53.8 -60.4 -38.2 34.1 14.7 51.9 7 14 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.947 111.0 45.0 -63.5 -47.3 32.1 16.0 54.8 8 15 A L H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.878 110.7 53.8 -64.0 -39.4 30.1 12.8 55.1 9 16 A M H X S+ 0 0 64 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.888 108.8 49.6 -63.2 -37.9 33.2 10.7 54.7 10 17 A L H X S+ 0 0 15 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.906 109.5 51.0 -68.9 -41.3 34.9 12.5 57.6 11 18 A L H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 3,-0.3 0.918 109.9 50.8 -60.1 -43.0 31.8 12.0 59.8 12 19 A A H >< S+ 0 0 31 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.930 110.2 49.4 -59.4 -44.0 31.9 8.3 59.0 13 20 A Q H 3< S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.750 99.3 67.2 -69.6 -23.3 35.6 8.1 59.9 14 21 A M H 3< S+ 0 0 4 -4,-1.4 -1,-0.2 -3,-0.3 50,-0.2 0.768 71.9 118.8 -66.3 -26.6 34.9 9.9 63.2 15 22 A R << + 0 0 91 -3,-1.0 3,-0.1 -4,-0.7 -3,-0.0 -0.097 38.1 179.7 -47.2 131.8 32.9 7.0 64.5 16 23 A R + 0 0 144 94,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.736 57.1 28.5-106.6 -33.9 34.6 5.6 67.7 17 24 A I S S- 0 0 55 93,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.806 90.5 -75.1-131.9 170.3 32.3 2.7 68.7 18 25 A S - 0 0 44 -2,-0.3 3,-0.3 1,-0.1 4,-0.2 -0.396 29.7-146.7 -64.0 131.5 29.8 0.1 67.4 19 26 A L S > S+ 0 0 3 1,-0.2 3,-1.9 2,-0.2 4,-0.4 0.845 97.3 65.4 -69.5 -30.4 26.4 1.5 66.5 20 27 A F G > S+ 0 0 83 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.883 98.5 54.3 -57.8 -34.8 24.8 -1.8 67.6 21 28 A S G 3 S+ 0 0 66 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.597 108.8 50.5 -76.3 -5.2 25.9 -1.0 71.2 22 29 A a G X S+ 0 0 0 -3,-1.9 3,-1.8 -4,-0.2 4,-0.3 0.375 72.3 106.8-112.3 3.8 24.2 2.4 70.9 23 30 A L G X S+ 0 0 20 -3,-1.0 3,-1.5 -4,-0.4 -1,-0.1 0.810 72.5 63.5 -56.9 -32.1 20.8 1.5 69.7 24 31 A K G 3 S+ 0 0 150 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.789 100.2 54.1 -64.9 -25.4 19.2 2.2 73.1 25 32 A D G < S+ 0 0 10 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.403 78.4 125.9 -88.5 -1.0 20.2 5.9 72.9 26 33 A R < - 0 0 27 -3,-1.5 2,-0.3 -4,-0.3 140,-0.1 -0.237 35.3-179.6 -61.2 152.9 18.5 6.5 69.5 27 34 A H - 0 0 81 138,-0.5 2,-0.8 88,-0.1 -2,-0.0 -0.979 33.9-119.5-157.5 133.8 16.1 9.4 69.4 28 35 A D - 0 0 74 -2,-0.3 139,-0.1 1,-0.2 138,-0.1 -0.720 26.9-177.3 -78.4 109.3 13.9 11.0 66.7 29 36 A F - 0 0 2 -2,-0.8 -1,-0.2 137,-0.3 69,-0.1 0.481 35.0-130.7 -86.5 -3.3 15.2 14.6 66.5 30 37 A G - 0 0 36 136,-0.3 -2,-0.1 1,-0.2 68,-0.0 0.915 21.7-155.5 53.3 51.7 12.6 15.4 64.0 31 38 A F - 0 0 11 1,-0.1 2,-1.9 64,-0.1 -1,-0.2 -0.389 17.5-127.7 -52.6 126.0 14.8 17.1 61.5 32 39 A P > + 0 0 10 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.503 40.7 166.5 -81.7 74.1 12.5 19.5 59.5 33 40 A Q G > + 0 0 87 -2,-1.9 3,-2.4 1,-0.3 -2,-0.1 0.651 60.1 80.9 -65.7 -18.0 13.5 18.3 56.0 34 41 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.606 77.8 72.0 -66.2 -10.0 10.5 20.0 54.4 35 42 A E G < 0 0 49 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.588 360.0 360.0 -76.8 -10.2 12.7 23.2 54.5 36 43 A F < 0 0 74 -3,-2.4 -2,-0.2 -4,-0.1 -1,-0.1 0.531 360.0 360.0-125.0 360.0 14.7 21.5 51.8 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 51 A E 0 0 132 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -85.0 15.8 30.6 48.3 39 52 A T >> + 0 0 67 2,-0.1 4,-2.2 1,-0.1 3,-1.7 0.614 360.0 90.1 -99.1 -21.5 17.0 27.7 50.5 40 53 A I H 3> S+ 0 0 66 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.865 85.7 54.1 -40.3 -48.5 20.7 28.5 50.4 41 54 A P H 3> S+ 0 0 71 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.797 108.4 49.4 -63.3 -28.0 20.4 30.7 53.5 42 55 A V H <> S+ 0 0 7 -3,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.887 110.7 50.1 -75.8 -39.4 18.8 27.8 55.4 43 56 A L H X S+ 0 0 18 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.927 110.2 50.2 -60.9 -45.7 21.6 25.5 54.2 44 57 A A H X S+ 0 0 26 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.924 111.5 47.4 -58.8 -45.0 24.2 28.1 55.4 45 58 A A H X S+ 0 0 25 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.897 111.8 53.3 -63.4 -38.4 22.5 28.3 58.8 46 59 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.976 112.5 41.7 -56.2 -59.0 22.4 24.5 58.8 47 60 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.862 112.9 53.7 -60.8 -40.0 26.2 24.2 58.1 48 61 A A H X S+ 0 0 42 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.889 108.3 49.8 -63.5 -40.0 27.0 27.0 60.6 49 62 A Q H X S+ 0 0 46 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.885 110.7 50.2 -64.8 -39.3 25.1 25.3 63.3 50 63 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.959 108.8 52.1 -63.2 -46.7 26.9 22.1 62.6 51 64 A F H < S+ 0 0 54 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.918 113.5 44.6 -52.0 -46.7 30.2 23.9 62.7 52 65 A N H >< S+ 0 0 116 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.913 110.2 54.1 -69.1 -42.0 29.2 25.3 66.1 53 66 A L H >< S+ 0 0 14 -4,-2.8 3,-0.8 1,-0.3 6,-0.2 0.881 112.3 43.5 -56.9 -41.8 27.9 22.0 67.5 54 67 A F T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.328 104.8 68.2 -91.3 9.8 31.2 20.2 66.7 55 68 A S T < S+ 0 0 54 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.290 73.9 109.3-107.0 3.9 33.3 23.1 68.0 56 69 A T S <> S- 0 0 48 -3,-0.8 4,-2.2 -4,-0.2 5,-0.2 -0.325 83.7-111.1 -79.5 165.5 32.4 22.8 71.7 57 70 A K H > S+ 0 0 164 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.839 122.5 56.5 -61.0 -28.6 34.8 21.7 74.4 58 71 A D H > S+ 0 0 38 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.907 104.7 48.1 -70.7 -41.7 32.6 18.6 74.5 59 72 A S H > S+ 0 0 0 -6,-0.2 4,-1.9 1,-0.2 3,-0.3 0.907 108.3 56.6 -63.0 -38.3 32.9 17.8 70.8 60 73 A S H < S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 108.7 46.6 -61.6 -32.4 36.7 18.2 71.2 61 74 A A H < S+ 0 0 86 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.741 114.2 48.3 -80.7 -25.6 36.7 15.5 73.9 62 75 A A H < S+ 0 0 19 -4,-1.4 2,-0.3 -3,-0.3 -2,-0.2 0.757 108.9 49.1 -86.4 -26.6 34.5 13.2 71.9 63 76 A W S < S- 0 0 6 -4,-1.9 2,-0.1 -5,-0.1 -48,-0.1 -0.829 88.6 -91.5-125.5 155.9 36.3 13.2 68.5 64 77 A D > - 0 0 56 -2,-0.3 4,-2.1 -50,-0.2 5,-0.1 -0.363 33.2-138.7 -60.4 131.0 39.7 12.8 66.9 65 78 A E H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.837 99.0 52.2 -65.2 -35.0 41.4 16.2 66.6 66 79 A T H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 112.1 45.7 -68.6 -42.3 42.9 15.6 63.1 67 80 A L H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.852 109.6 56.5 -67.4 -34.0 39.5 14.6 61.7 68 81 A L H X S+ 0 0 5 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.944 106.3 49.4 -61.6 -46.7 37.9 17.5 63.4 69 82 A D H X S+ 0 0 98 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.923 112.7 47.3 -56.1 -45.2 40.3 19.9 61.6 70 83 A K H X S+ 0 0 109 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.917 113.4 48.5 -64.9 -41.7 39.5 18.3 58.3 71 84 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.934 111.0 49.3 -61.8 -49.7 35.8 18.5 59.0 72 85 A Y H X S+ 0 0 40 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.908 109.0 54.2 -55.0 -44.6 36.0 22.1 60.1 73 86 A T H X S+ 0 0 87 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.934 108.8 48.1 -58.1 -46.9 38.0 22.8 56.9 74 87 A E H X S+ 0 0 27 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 113.1 46.6 -61.2 -45.9 35.2 21.3 54.7 75 88 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.917 112.5 51.1 -62.1 -41.7 32.4 23.2 56.5 76 89 A Y H X S+ 0 0 141 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.935 109.4 49.7 -62.8 -44.9 34.3 26.4 56.2 77 90 A Q H X S+ 0 0 89 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.895 110.9 50.1 -62.0 -41.2 34.9 25.9 52.5 78 91 A Q H X S+ 0 0 16 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.895 109.6 50.2 -64.2 -40.8 31.2 25.2 51.9 79 92 A L H X S+ 0 0 36 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.919 108.4 53.5 -65.3 -39.5 30.1 28.3 53.8 80 93 A N H X S+ 0 0 60 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.928 108.0 50.5 -57.5 -44.7 32.5 30.4 51.8 81 94 A D H X S+ 0 0 93 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.798 116.0 41.2 -66.1 -28.8 30.9 29.0 48.6 82 95 A L H < S+ 0 0 31 -4,-1.5 3,-0.3 -3,-0.3 -1,-0.2 0.828 107.9 59.0 -87.5 -34.5 27.4 29.8 49.8 83 96 A E H < S+ 0 0 160 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.951 101.7 58.0 -57.8 -43.4 28.2 33.2 51.3 84 97 A A H < 0 0 73 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.839 360.0 360.0 -55.9 -41.5 29.4 34.2 48.0 85 98 A C < 0 0 127 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.999 360.0 360.0 -72.9 360.0 26.0 33.4 46.5 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 114 A D > 0 0 174 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -65.1 10.7 30.8 59.8 88 115 A S H >> + 0 0 33 2,-0.2 4,-1.8 1,-0.2 3,-1.0 0.976 360.0 48.3 -61.0 -58.9 12.8 28.1 58.2 89 116 A I H 3> S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.821 109.1 55.8 -51.5 -35.0 16.0 29.2 60.0 90 117 A L H 3> S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.862 105.1 52.3 -65.9 -34.9 14.0 29.2 63.2 91 118 A A H S+ 0 0 4 -4,-2.3 5,-3.0 2,-0.2 4,-0.3 0.904 112.0 50.5 -62.5 -40.8 23.6 15.7 74.6 104 131 A K H ><5S+ 0 0 123 -4,-1.9 3,-2.1 3,-0.2 -2,-0.2 0.973 110.8 47.0 -59.0 -57.4 23.1 17.5 78.0 105 132 A E H 3<5S+ 0 0 138 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.873 113.8 49.6 -51.4 -40.5 20.6 15.0 79.3 106 133 A K T ><5S- 0 0 69 -4,-2.2 3,-0.8 -5,-0.3 -1,-0.3 0.472 109.9-124.1 -80.6 -2.7 22.8 12.1 78.1 107 134 A K T < 5 - 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0 0 89 128,-0.7 2,-0.5 78,-0.1 3,-0.1 -0.920 32.9-120.7-173.6 132.5 31.5 26.6 15.2 343 35 C D + 0 0 87 -2,-0.3 129,-0.1 1,-0.2 128,-0.1 -0.730 24.0 179.3 -80.8 125.3 29.6 28.4 18.0 344 36 C F - 0 0 5 -2,-0.5 -1,-0.2 127,-0.3 59,-0.1 0.491 38.5-129.0-102.7 -11.2 29.1 32.0 17.0 345 37 C G - 0 0 38 126,-0.3 -2,-0.1 1,-0.2 55,-0.0 0.909 21.6-151.7 66.9 46.6 27.3 32.8 20.2 346 38 C F - 0 0 26 1,-0.2 2,-3.5 54,-0.1 -1,-0.2 -0.278 21.5-119.4 -50.3 122.9 24.2 34.5 18.9 347 39 C P 0 0 61 0, 0.0 -1,-0.2 0, 0.0 50,-0.1 -0.237 360.0 360.0 -64.3 56.9 23.0 36.9 21.5 348 40 C Q 0 0 107 -2,-3.5 -2,-0.1 0, 0.0 -3,-0.0 0.790 360.0 360.0 -42.7 360.0 19.7 35.1 21.8 349 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 350 54 C P > 0 0 130 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -63.0 14.4 47.5 15.6 351 55 C V H > + 0 0 103 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.753 360.0 53.1 -81.5 -28.1 17.1 45.1 16.6 352 56 C L H > S+ 0 0 44 2,-0.2 4,-3.1 1,-0.2 3,-0.4 0.953 106.0 53.9 -60.1 -51.4 15.3 42.8 14.2 353 57 C A H > S+ 0 0 27 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.878 109.1 46.1 -51.1 -45.4 15.6 45.5 11.6 354 58 C A H X S+ 0 0 44 -4,-1.2 4,-1.6 2,-0.2 -1,-0.3 0.795 113.5 51.3 -72.0 -27.3 19.4 45.8 12.0 355 59 C M H X S+ 0 0 3 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.968 109.2 47.4 -70.8 -57.3 19.7 42.0 12.0 356 60 C I H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.925 113.1 51.4 -49.2 -45.3 17.7 41.6 8.8 357 61 C A H X S+ 0 0 34 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.890 108.3 50.7 -62.3 -40.2 19.8 44.3 7.2 358 62 C Q H X S+ 0 0 58 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.875 108.3 51.5 -66.6 -36.5 22.9 42.6 8.3 359 63 C I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.950 108.0 52.2 -63.1 -45.0 21.9 39.4 6.8 360 64 C F H < S+ 0 0 58 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.959 112.9 46.0 -57.6 -48.6 21.1 41.2 3.5 361 65 C N H >< S+ 0 0 115 -4,-2.4 3,-1.9 1,-0.2 4,-0.2 0.949 109.9 53.3 -55.9 -53.0 24.6 42.7 3.6 362 66 C L H >< S+ 0 0 23 -4,-2.9 3,-0.7 1,-0.3 -1,-0.2 0.864 112.8 43.8 -52.7 -40.0 26.3 39.4 4.5 363 67 C F T 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.370 102.1 69.4 -91.8 8.0 24.6 37.6 1.5 364 68 C S T < S+ 0 0 58 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.271 73.9 107.8-107.3 9.8 25.3 40.5 -1.0 365 69 C T S <> S- 0 0 57 -3,-0.7 4,-1.7 -4,-0.2 5,-0.1 -0.209 83.2-108.0 -76.4 175.8 29.1 40.1 -1.2 366 70 C K H > S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.832 120.9 53.9 -71.9 -34.5 31.0 38.7 -4.3 367 71 C D H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 105.5 53.2 -68.1 -40.9 31.8 35.6 -2.3 368 72 C S H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.949 108.1 49.9 -55.1 -50.7 28.1 35.1 -1.5 369 73 C S H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.5 53.4 -57.4 -32.1 27.3 35.3 -5.3 370 74 C A H 3< S+ 0 0 83 -4,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.830 115.4 40.4 -69.5 -30.4 30.1 32.8 -5.8 371 75 C A H << S+ 0 0 18 -4,-1.6 2,-0.3 -3,-0.7 -2,-0.2 0.855 109.9 48.4 -90.0 -38.2 28.4 30.4 -3.2 372 76 C W S < S- 0 0 6 -4,-2.5 -42,-0.1 -5,-0.1 -43,-0.1 -0.734 87.6 -89.5-116.5 156.2 24.6 30.5 -3.8 373 77 C D > - 0 0 54 -2,-0.3 4,-2.4 -44,-0.2 5,-0.1 -0.319 31.7-138.7 -62.3 133.1 22.2 30.3 -6.7 374 78 C E H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.859 100.6 51.5 -64.5 -39.2 21.4 33.7 -8.2 375 79 C T H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 111.4 46.2 -64.7 -44.6 17.8 33.1 -8.6 376 80 C L H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.911 110.2 56.6 -63.2 -39.6 17.3 32.0 -4.9 377 81 C L H X S+ 0 0 6 -4,-2.4 4,-3.5 1,-0.2 5,-0.3 0.930 104.4 50.8 -55.4 -48.9 19.4 35.0 -3.9 378 82 C D H X S+ 0 0 100 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.917 112.4 46.4 -55.1 -46.1 17.0 37.4 -5.7 379 83 C K H X S+ 0 0 109 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.885 113.4 50.4 -64.2 -39.1 14.0 35.8 -3.9 380 84 C F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.953 110.1 47.9 -63.5 -52.9 15.9 35.9 -0.6 381 85 C Y H X S+ 0 0 47 -4,-3.5 4,-3.0 1,-0.2 -2,-0.2 0.911 109.8 56.1 -51.3 -43.8 16.8 39.6 -1.0 382 86 C T H X S+ 0 0 83 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.904 107.8 45.9 -60.2 -45.0 13.2 40.3 -1.9 383 87 C E H X S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 113.6 49.1 -63.6 -45.0 11.9 38.7 1.3 384 88 C L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.946 111.6 50.5 -58.6 -47.6 14.4 40.6 3.4 385 89 C Y H X S+ 0 0 141 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.930 109.7 48.1 -57.5 -51.5 13.6 43.9 1.7 386 90 C Q H X S+ 0 0 100 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.860 113.1 50.2 -59.9 -36.2 9.8 43.6 2.2 387 91 C Q H X S+ 0 0 13 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.929 108.0 50.5 -67.2 -45.1 10.4 42.7 5.8 388 92 C L H X S+ 0 0 39 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.922 112.2 50.5 -57.8 -41.7 12.7 45.7 6.4 389 93 C N H >X S+ 0 0 71 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.868 105.8 52.8 -64.2 -42.0 10.0 47.8 4.9 390 94 C D H >< S+ 0 0 102 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.900 110.1 50.0 -60.7 -38.5 7.2 46.5 7.0 391 95 C L H 3< S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.650 88.3 87.5 -73.6 -17.1 9.3 47.3 10.1 392 96 C E H << 0 0 166 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.849 360.0 360.0 -52.0 -42.2 9.9 50.8 8.8 393 97 C A << 0 0 131 -3,-0.7 0, 0.0 -4,-0.5 0, 0.0 -0.463 360.0 360.0 -71.4 360.0 6.7 52.2 10.4 394 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 395 117 C L >> 0 0 116 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -61.6 24.4 46.8 18.6 396 118 C A H 3> + 0 0 68 1,-0.3 4,-1.1 2,-0.2 3,-0.4 0.811 360.0 67.8 -60.7 -30.9 25.5 43.5 20.0 397 119 C V H 3> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.868 87.2 69.4 -53.9 -39.4 24.4 41.9 16.7 398 120 C R H <> S+ 0 0 38 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.888 99.2 43.9 -50.6 -52.6 27.3 43.7 15.0 399 121 C K H X S+ 0 0 41 -4,-0.6 4,-2.9 -3,-0.4 -1,-0.2 0.824 108.6 60.9 -66.8 -31.2 30.1 41.7 16.6 400 122 C Y H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.2 -2,-0.2 0.981 107.8 42.3 -55.1 -57.5 28.1 38.5 15.9 401 123 C F H X S+ 0 0 10 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.795 111.1 58.5 -62.4 -24.7 28.1 39.2 12.2 402 124 C Q H X S+ 0 0 132 -4,-1.6 4,-2.8 -5,-0.3 -1,-0.2 0.938 104.6 49.2 -66.4 -45.2 31.8 40.2 12.7 403 125 C R H X S+ 0 0 99 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.932 113.1 47.5 -57.8 -46.8 32.5 36.7 14.0 404 126 C I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.941 112.0 49.5 -59.4 -49.1 30.7 35.3 11.0 405 127 C T H X S+ 0 0 48 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.904 112.8 47.7 -57.0 -42.8 32.6 37.5 8.6 406 128 C L H X S+ 0 0 105 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.934 108.2 54.9 -65.8 -46.7 35.9 36.5 10.3 407 129 C Y H X S+ 0 0 12 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.925 107.5 49.9 -49.8 -52.0 35.0 32.8 10.2 408 130 C L H <>S+ 0 0 1 -4,-2.4 5,-2.7 2,-0.2 4,-0.3 0.890 109.2 52.5 -55.5 -44.1 34.3 33.0 6.4 409 131 C K H ><5S+ 0 0 53 -4,-1.7 3,-2.3 1,-0.2 -2,-0.2 0.973 109.4 46.8 -58.2 -58.3 37.7 34.7 5.8 410 132 C E H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 109.1 56.8 -52.5 -38.8 39.8 32.1 7.6 411 133 C K T ><5S- 0 0 70 -4,-2.0 3,-0.5 -5,-0.2 -1,-0.3 0.515 109.6-121.0 -74.3 -3.3 38.0 29.3 5.9 412 134 C K T < 5 - 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