==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/RNA 18-SEP-03 1QZW . COMPND 2 MOLECULE: 7S RNA; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR K.R.ROSENDAL,K.WILD,G.MONTOYA,I.SINNING . 1728 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 100861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1166 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 4.6 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 . 8 0.5 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 . 148 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 264 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 560 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 56 3.2 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 4 8 4 4 4 8 8 4 4 0 8 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 0 8 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 4 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 M 0 0 94 0, 0.0 3,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-124.0 -11.6 45.3 65.1 2 2 A L > + 0 0 48 1,-0.2 4,-0.7 32,-0.1 31,-0.1 0.981 360.0 71.9 -55.1 -62.0 -11.7 47.3 68.3 3 3 A E T >4 S+ 0 0 82 1,-0.3 2,-3.0 2,-0.2 3,-2.8 0.740 90.0 61.3 -18.4 -68.2 -13.2 50.4 66.8 4 4 A N T 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 29,-0.1 -0.384 98.9 55.6 -70.6 73.2 -16.5 48.5 66.4 5 5 A I T >> S+ 0 0 27 -2,-3.0 3,-1.5 286,-0.1 4,-1.1 -0.053 85.5 77.3-164.6 -40.0 -16.7 48.1 70.2 6 6 A R T << S+ 0 0 112 -3,-2.8 4,-0.4 -4,-0.7 -2,-0.2 0.466 93.8 58.1 -59.3 2.3 -16.4 51.8 70.7 7 7 A D T 3> S+ 0 0 47 -4,-0.2 4,-4.7 2,-0.2 5,-0.4 0.725 83.8 70.6-102.2 -37.4 -20.0 51.4 69.6 8 8 A A H <> S+ 0 0 14 -3,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.833 90.5 74.7 -47.7 -26.4 -20.8 49.1 72.5 9 9 A V H >X S+ 0 0 42 -4,-1.1 3,-0.8 2,-0.2 4,-0.5 0.974 112.6 14.8 -49.2 -73.0 -20.4 52.5 74.0 10 10 A R H 34 S+ 0 0 182 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.774 115.5 74.3 -77.5 -23.6 -23.7 53.9 72.8 11 11 A K H 3< S+ 0 0 165 -4,-4.7 -1,-0.3 1,-0.3 -2,-0.2 0.759 101.8 48.4 -55.7 -17.3 -24.8 50.4 72.0 12 12 A F H << S+ 0 0 21 -3,-0.8 2,-3.9 -4,-0.7 -1,-0.3 0.762 85.5 86.5 -90.3 -34.7 -24.9 50.7 75.8 13 13 A L < + 0 0 110 -4,-0.5 2,-0.4 -3,-0.2 -1,-0.2 -0.294 65.9 117.2 -69.1 63.2 -26.8 54.0 75.8 14 14 A T - 0 0 40 -2,-3.9 3,-0.1 3,-0.1 -1,-0.1 -0.888 47.0-172.1-138.0 102.4 -30.0 52.0 75.7 15 15 A G S S+ 0 0 75 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.840 82.6 74.5 -60.3 -33.0 -32.5 52.2 78.5 16 16 A S S S+ 0 0 116 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.941 88.4 61.7 -41.6 -71.1 -34.4 49.3 76.8 17 17 A T S S- 0 0 66 -3,-0.1 -3,-0.1 1,-0.1 0, 0.0 -0.326 89.7-122.2 -64.7 143.8 -31.9 46.6 77.7 18 18 A P - 0 0 88 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.816 28.8 -99.9 -52.1-132.2 -31.4 46.0 81.5 19 19 A Y S > S+ 0 0 69 3,-0.1 3,-3.0 48,-0.0 2,-0.5 -0.459 84.2 30.4-140.8-149.1 -28.2 46.2 83.5 20 20 A E T 3> S+ 0 0 142 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.200 122.0 49.0 18.3 -66.2 -25.5 44.0 84.9 21 21 A K H 3> S+ 0 0 153 -2,-0.5 4,-2.4 1,-0.3 -1,-0.3 0.989 106.5 57.7 -50.8 -57.7 -25.8 41.4 82.2 22 22 A A H <> S+ 0 0 14 -3,-3.0 4,-1.9 2,-0.2 -1,-0.3 0.882 110.8 48.6 -33.8 -50.8 -25.6 44.3 79.9 23 23 A V H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.975 108.2 43.3 -54.4 -88.2 -22.4 44.9 81.6 24 24 A D H X S+ 0 0 40 -4,-1.6 4,-3.5 2,-0.2 5,-0.4 0.804 115.2 52.8 -30.7 -52.6 -20.5 41.6 81.7 25 25 A E H X S+ 0 0 79 -4,-2.4 4,-4.6 -5,-0.2 6,-0.2 0.955 111.7 43.9 -46.5 -79.6 -21.4 41.0 78.1 26 26 A F H X>S+ 0 0 34 -4,-1.9 4,-4.7 -5,-0.3 5,-0.5 0.832 114.3 53.8 -27.4 -54.6 -20.1 44.3 77.1 27 27 A I H X5S+ 0 0 10 -4,-3.2 4,-5.4 2,-0.2 5,-0.3 0.959 118.2 32.3 -45.1 -77.6 -17.2 43.4 79.3 28 28 A K H X5S+ 0 0 117 -4,-3.5 4,-4.2 2,-0.2 -2,-0.2 0.904 120.3 55.6 -44.3 -51.9 -16.6 40.2 77.5 29 29 A D H >X5S+ 0 0 73 -4,-4.6 4,-1.9 -5,-0.4 3,-0.9 0.966 118.0 31.4 -47.0 -70.8 -17.8 41.8 74.3 30 30 A L H 3X5S+ 0 0 25 -4,-4.7 4,-1.1 1,-0.3 -2,-0.2 0.983 119.2 58.6 -48.3 -59.3 -15.3 44.6 74.6 31 31 A Q H 3X< S+ 0 0 35 -4,-1.1 3,-1.8 -3,-0.3 -1,-0.2 0.980 106.0 33.4 -78.6 -80.7 -9.3 43.0 72.1 35 35 A I H 3< S+ 0 0 58 -4,-0.9 3,-0.4 1,-0.3 -2,-0.2 0.918 116.0 60.5 -46.3 -46.4 -7.4 39.8 72.0 36 36 A S T 3< S+ 0 0 95 -4,-1.6 2,-1.2 1,-0.3 -1,-0.3 0.871 103.2 53.9 -49.1 -36.3 -9.1 39.2 68.7 37 37 A S S < S- 0 0 13 -3,-1.8 2,-0.7 -5,-0.4 218,-0.7 -0.592 134.4 -91.3 -97.8 67.3 -7.3 42.4 67.8 38 38 A D S S+ 0 0 29 -2,-1.2 -1,-0.1 -3,-0.4 215,-0.1 -0.466 76.7 145.9 63.0-108.0 -3.9 41.0 68.9 39 39 A V - 0 0 17 -2,-0.7 -1,-0.1 213,-0.4 215,-0.1 0.780 51.2-113.7 47.7 126.3 -3.9 42.2 72.5 40 40 A N - 0 0 48 1,-0.1 4,-0.3 215,-0.1 215,-0.1 -0.367 24.0-162.5 -78.2 171.1 -2.2 40.0 75.0 41 41 A V > + 0 0 75 2,-0.1 4,-1.2 3,-0.1 5,-0.3 0.727 69.4 85.5-124.1 -40.1 -4.4 38.4 77.7 42 42 A K H > S+ 0 0 144 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.861 105.5 44.6 -25.3 -58.1 -2.3 37.2 80.7 43 43 A L H >4 S+ 0 0 51 1,-0.2 3,-4.3 2,-0.2 -1,-0.2 0.969 98.0 69.7 -46.5 -83.3 -2.8 40.8 81.6 44 44 A V H 3>>S+ 0 0 19 -4,-0.3 4,-1.4 1,-0.3 5,-0.7 0.530 88.9 63.4 -2.3 -67.8 -6.5 41.1 80.8 45 45 A F H 3X5S+ 0 0 155 -4,-1.2 4,-3.0 -3,-0.3 -1,-0.3 0.895 104.8 51.3 -31.6 -55.3 -7.6 38.9 83.7 46 46 A S H 5S+ 0 0 28 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.970 116.8 47.5 -50.0 -78.2 -8.0 44.4 84.0 48 48 A T H X5S+ 0 0 28 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.814 118.5 49.2 -28.7 -42.6 -11.3 42.6 83.7 49 49 A A H X< S+ 0 0 35 -4,-2.3 3,-1.0 -3,-0.4 -1,-0.2 0.894 100.9 62.0 -37.8 -71.7 -14.2 48.1 92.1 55 55 A L H >< S+ 0 0 69 -4,-1.0 2,-2.6 1,-0.3 3,-2.3 0.767 102.4 50.1 -20.3 -72.5 -17.9 47.2 91.7 56 56 A N T 3< S+ 0 0 134 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 -0.123 117.7 44.0 -69.8 42.9 -18.1 45.2 94.9 57 57 A K T < S+ 0 0 141 -2,-2.6 -1,-0.3 -3,-1.0 2,-0.3 0.161 115.5 27.7-170.5 16.8 -16.5 48.2 96.6 58 58 A E < - 0 0 78 -3,-2.3 -1,-0.2 -4,-0.1 0, 0.0 -0.975 46.8-158.7-168.7-177.8 -18.3 51.2 95.2 59 59 A K - 0 0 101 -2,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.933 45.0 -84.4-171.0 152.4 -21.3 53.0 93.7 60 60 A P - 0 0 21 0, 0.0 4,-0.2 0, 0.0 6,-0.1 -0.491 57.3-100.5 -67.9 125.4 -21.8 56.1 91.6 61 61 A P - 0 0 72 0, 0.0 8,-0.1 0, 0.0 -3,-0.0 -0.220 56.4 -95.3 -43.9 136.8 -22.1 59.0 94.0 62 62 A S S S+ 0 0 80 1,-0.2 286,-0.0 -3,-0.1 290,-0.0 0.234 108.5 61.9 -42.5-176.5 -25.8 59.5 94.1 63 63 A V S S+ 0 0 28 284,-0.1 -1,-0.2 288,-0.1 2,-0.1 0.957 95.1 80.2 55.9 50.2 -27.3 62.0 91.7 64 64 A L S S- 0 0 45 -4,-0.2 5,-0.1 283,-0.1 -1,-0.0 -0.363 84.4-106.6 170.2 112.4 -26.1 60.1 88.7 65 65 A E > - 0 0 97 -2,-0.1 4,-1.2 1,-0.1 3,-0.2 -0.046 27.5-138.2 -41.9 128.5 -27.2 57.1 86.7 66 66 A R H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.974 96.1 68.1 -53.4 -68.7 -24.9 54.1 87.3 67 67 A K H > S+ 0 0 30 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.758 103.7 48.3 -17.9 -61.3 -24.6 52.9 83.7 68 68 A E H >4 S+ 0 0 62 -3,-0.2 3,-3.2 1,-0.2 4,-0.4 0.953 108.0 51.2 -47.9 -80.5 -22.6 56.1 83.1 69 69 A W H 3X S+ 0 0 47 -4,-1.2 4,-2.2 1,-0.3 5,-0.3 0.754 96.3 71.2 -20.7 -60.8 -20.2 55.8 86.2 70 70 A F H 3X S+ 0 0 12 -4,-1.6 4,-2.9 1,-0.2 -1,-0.3 0.843 100.9 48.3 -24.1 -58.5 -19.5 52.3 85.0 71 71 A I H S+ 0 0 48 -3,-3.2 4,-1.4 -4,-1.1 5,-0.6 0.945 98.3 59.1 -51.7 -70.4 -17.6 53.9 82.3 72 72 A S H >5S+ 0 0 24 -4,-0.4 4,-4.5 1,-0.3 -1,-0.2 0.868 116.7 43.1 -26.5 -48.9 -15.6 56.5 84.1 73 73 A I H X5S+ 0 0 16 -4,-2.2 4,-3.0 2,-0.2 -1,-0.3 0.953 115.5 45.0 -63.8 -56.5 -14.4 53.3 85.6 74 74 A V H X5S+ 0 0 15 -4,-2.9 4,-1.9 -5,-0.3 3,-0.2 0.985 121.9 39.2 -49.4 -70.8 -14.2 51.4 82.4 75 75 A Y H >X5S+ 0 0 36 -4,-1.4 4,-2.1 1,-0.2 3,-1.9 0.916 110.2 63.1 -38.5 -65.6 -12.5 54.3 80.8 76 76 A D H >X S+ 0 0 8 -4,-0.2 4,-0.5 3,-0.1 77,-0.1 0.643 83.8 2.9 -7.5 -82.9 12.2 52.7 60.2 110 110 A T T >4 S+ 0 0 20 2,-0.1 3,-1.3 75,-0.1 4,-0.3 0.964 127.7 62.3 -73.5 -85.5 12.8 55.7 58.0 111 111 A T T >4 S+ 0 0 58 1,-0.3 3,-3.2 2,-0.2 5,-0.2 0.530 92.6 63.9 -2.5-103.3 9.3 57.0 57.1 112 112 A T T 3> S+ 0 0 37 1,-0.3 4,-1.6 2,-0.1 -1,-0.3 0.402 90.4 67.4 9.6 -85.3 8.3 57.8 60.6 113 113 A A H S+ 0 0 9 -3,-3.2 4,-1.7 -4,-0.3 5,-0.4 0.874 105.5 31.9 -36.4 -96.7 9.2 62.4 58.3 115 115 A K H > S+ 0 0 22 1,-0.3 4,-5.5 3,-0.2 -1,-0.2 0.817 120.7 59.3 -35.2 -38.8 5.9 63.5 59.8 116 116 A L H X S+ 0 0 25 -4,-1.6 4,-2.0 2,-0.2 -1,-0.3 0.992 119.0 25.2 -53.4 -71.6 7.9 63.5 63.0 117 117 A A H >X S+ 0 0 1 -4,-4.3 3,-1.5 1,-0.2 4,-1.2 0.981 123.5 56.0 -49.9 -75.7 10.3 66.0 61.7 118 118 A Y H >X S+ 0 0 43 -4,-1.7 4,-1.4 1,-0.3 3,-0.9 0.747 106.0 53.6 -17.1 -61.3 7.7 67.3 59.4 119 119 A F H 3< S+ 0 0 38 -4,-5.5 3,-0.5 -5,-0.4 -1,-0.3 0.906 106.4 48.7 -47.2 -57.7 5.5 67.8 62.4 120 120 A Y H X< S+ 0 0 28 -4,-2.0 3,-0.7 -3,-1.5 5,-0.4 0.681 103.5 59.7 -62.3 -23.2 8.0 69.9 64.4 121 121 A K H X< S+ 0 0 88 -4,-1.2 3,-3.1 -3,-0.9 2,-0.7 0.901 99.7 56.7 -70.8 -40.9 8.8 72.3 61.5 122 122 A K T 3< S+ 0 0 158 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.1 -0.161 101.8 59.5 -81.3 38.8 5.1 73.2 61.4 123 123 A R T < S- 0 0 91 -2,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.176 130.0-102.6-137.8 -16.1 5.9 74.1 65.0 124 124 A G S < S+ 0 0 54 -3,-3.1 2,-0.3 1,-0.2 -3,-0.2 0.892 71.1 134.7 90.9 50.8 8.5 76.5 63.7 125 125 A Y - 0 0 94 -5,-0.4 2,-1.6 -4,-0.2 -1,-0.2 -0.965 62.9-111.2-139.1 151.2 11.9 74.9 64.1 126 126 A K + 0 0 77 -2,-0.3 55,-4.0 52,-0.1 54,-2.4 -0.559 48.0 178.7 -74.5 91.0 15.2 74.2 62.3 127 127 A V - 0 0 4 -2,-1.6 54,-0.5 53,-0.2 53,-0.3 0.630 6.0-177.4 -63.3-132.8 14.9 70.5 61.9 128 128 A G - 0 0 6 25,-0.2 55,-2.1 52,-0.1 2,-0.3 -0.043 4.4-162.9 131.0 125.9 17.6 68.5 60.2 129 129 A L B -c 183 0A 17 24,-0.5 26,-0.5 53,-0.2 2,-0.3 -0.881 4.6-160.1-134.4 166.9 17.8 64.9 59.4 130 130 A V - 0 0 7 53,-1.2 2,-1.5 -2,-0.3 55,-0.5 -0.988 30.5-115.3-151.6 138.9 20.2 62.2 58.4 131 131 A A + 0 0 10 24,-1.9 2,-0.5 -2,-0.3 26,-0.2 -0.548 37.9 175.2 -70.8 91.4 20.2 58.8 56.8 132 132 A A + 0 0 10 -2,-1.5 55,-0.4 53,-0.7 2,-0.3 -0.318 49.1 83.5 -97.7 51.9 21.5 56.9 59.8 133 133 A D + 0 0 25 -2,-0.5 2,-0.2 53,-0.2 6,-0.1 -0.886 40.6 169.4-157.5 121.0 21.1 53.4 58.2 134 134 A V + 0 0 19 -2,-0.3 52,-0.0 53,-0.2 26,-0.0 -0.595 64.8 65.3-134.7 73.6 23.4 51.5 55.9 135 135 A Y S S+ 0 0 95 1,-0.5 -1,-0.1 -2,-0.2 26,-0.0 0.258 95.0 55.0-149.2 -47.2 22.4 47.9 55.4 136 136 A R S S- 0 0 90 1,-0.1 -1,-0.5 2,-0.0 3,-0.2 -0.871 85.3-124.2-104.2 131.5 19.1 48.3 53.6 137 137 A P S S+ 0 0 103 0, 0.0 2,-5.8 0, 0.0 3,-0.2 0.873 86.9 59.5 -29.3-104.3 19.0 50.4 50.3 138 138 A A + 0 0 31 1,-0.1 5,-0.8 2,-0.1 6,-0.1 0.035 64.3 143.4 -39.7 41.7 16.6 53.4 49.9 139 139 A A S > S+ 0 0 11 -2,-5.8 4,-1.3 -3,-0.2 5,-0.3 0.837 82.8 3.0 -48.9-108.8 18.1 55.2 52.8 140 140 A Y H >> S+ 0 0 41 3,-0.2 3,-2.0 -3,-0.2 4,-1.6 0.898 125.6 74.9 -38.6 -90.4 18.0 58.8 51.7 141 141 A D H 3> S+ 0 0 32 1,-0.3 4,-1.4 2,-0.3 -2,-0.1 0.329 104.2 25.1 14.4-125.9 16.2 57.9 48.5 142 142 A Q H 34 S+ 0 0 87 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.766 136.6 40.5 -23.4 -48.7 12.6 57.1 49.3 143 143 A L H X S+ 0 0 71 -4,-1.4 3,-2.4 1,-0.2 4,-1.3 0.832 98.5 38.6 -31.4-105.3 11.9 62.8 48.7 146 146 A L H 3> S+ 0 0 40 -4,-0.5 4,-1.1 1,-0.3 5,-0.5 0.698 100.3 79.1 -12.1 -63.1 9.9 64.4 51.4 147 147 A G H 3<>S+ 0 0 4 -4,-0.7 5,-4.0 1,-0.3 -1,-0.3 0.737 114.7 17.8 -21.3 -57.1 13.0 66.2 52.8 148 148 A N H X<5S+ 0 0 23 -3,-2.4 3,-3.5 -4,-0.9 -1,-0.3 0.899 118.6 67.2 -83.9 -50.3 12.7 68.7 50.0 149 149 A Q H 3<5S+ 0 0 108 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.2 0.400 112.5 37.2 -54.5 7.0 9.1 67.9 49.2 150 150 A I T 3<5S- 0 0 30 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.336 120.6-105.2-135.4 -7.4 8.5 69.4 52.7 151 151 A G T < 5S+ 0 0 4 -3,-3.5 1299,-0.4 -5,-0.5 2,-0.3 0.859 83.9 119.6 80.6 36.6 11.1 72.2 52.7 152 152 A V < - 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0 0 40 -2,-3.9 3,-0.1 3,-0.1 -1,-0.1 -0.888 47.0-172.1-138.0 102.5 98.9 67.6 76.3 448 15 C G S S+ 0 0 75 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.840 82.6 74.4 -60.3 -32.9 101.3 67.4 79.3 449 16 C S S S+ 0 0 117 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.941 88.3 61.8 -41.7 -71.1 103.3 70.2 77.6 450 17 C T S S- 0 0 67 -3,-0.1 -3,-0.1 1,-0.1 0, 0.0 -0.326 89.7-122.2 -64.6 143.8 100.8 73.0 78.4 451 18 C P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.817 28.8-100.0 -52.0-132.2 100.2 73.7 82.2 452 19 C Y S > S+ 0 0 69 3,-0.1 3,-3.0 48,-0.0 2,-0.5 -0.460 84.2 30.4-140.8-149.0 96.9 73.5 84.0 453 20 C E T 3> S+ 0 0 142 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.200 122.0 49.0 18.2 -66.2 94.1 75.8 85.4 454 21 C K H 3> S+ 0 0 150 -2,-0.5 4,-2.4 1,-0.3 -1,-0.3 0.989 106.5 57.7 -50.8 -57.7 94.6 78.3 82.7 455 22 C A H <> S+ 0 0 12 -3,-3.0 4,-1.9 2,-0.2 -1,-0.3 0.881 110.8 48.6 -33.8 -50.8 94.4 75.3 80.3 456 23 C V H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.975 108.2 43.3 -54.4 -88.2 91.1 74.8 82.0 457 24 C D H X S+ 0 0 40 -4,-1.6 4,-3.5 2,-0.2 5,-0.4 0.804 115.2 52.8 -30.7 -52.6 89.2 78.1 82.0 458 25 C E H X S+ 0 0 79 -4,-2.4 4,-4.6 -5,-0.2 6,-0.2 0.955 111.7 43.9 -46.5 -79.6 90.3 78.7 78.4 459 26 C F H X>S+ 0 0 34 -4,-1.9 4,-4.7 -5,-0.3 5,-0.5 0.832 114.3 53.7 -27.4 -54.7 89.0 75.3 77.4 460 27 C I H X5S+ 0 0 11 -4,-3.2 4,-5.4 2,-0.2 5,-0.3 0.959 118.2 32.3 -45.1 -77.6 86.0 76.3 79.5 461 28 C K H X5S+ 0 0 116 -4,-3.5 4,-4.2 2,-0.2 -2,-0.2 0.904 120.3 55.6 -44.3 -51.9 85.5 79.5 77.7 462 29 C D H >X5S+ 0 0 73 -4,-4.6 4,-1.9 -5,-0.4 3,-0.9 0.966 118.0 31.4 -47.0 -70.8 86.8 77.8 74.6 463 30 C L H 3X5S+ 0 0 25 -4,-4.7 4,-1.1 1,-0.3 -2,-0.2 0.983 119.2 58.6 -48.3 -59.3 84.2 75.0 74.8 464 31 C Q H 3X< S+ 0 0 36 -4,-1.1 3,-1.8 -3,-0.3 -1,-0.2 0.980 106.0 33.3 -78.6 -80.7 78.4 76.7 72.1 468 35 C I H 3< S+ 0 0 58 -4,-0.9 3,-0.4 1,-0.3 -2,-0.2 0.918 116.0 60.5 -46.4 -46.4 76.4 79.9 72.0 469 36 C S T 3< S+ 0 0 96 -4,-1.6 2,-1.2 1,-0.3 -1,-0.3 0.871 103.2 53.9 -49.1 -36.3 78.2 80.5 68.7 470 37 C S S < S- 0 0 12 -3,-1.8 2,-0.7 -5,-0.4 218,-0.7 -0.592 134.4 -91.3 -97.8 67.3 76.5 77.3 67.8 471 38 C D S S+ 0 0 28 -2,-1.2 -1,-0.1 -3,-0.4 215,-0.1 -0.465 76.7 145.9 63.0-108.0 73.1 78.7 68.8 472 39 C V - 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0 0 30 -5,-2.1 -1,-0.2 -6,-0.5 5,-0.2 -0.809 64.9-118.2 -98.4 118.3 104.9 29.1 87.2 843 410 C E > - 0 0 103 -2,-0.6 3,-1.0 -3,-0.1 4,-0.2 -0.266 45.9 -97.8 -50.9 123.8 107.1 26.3 88.6 844 411 C V G > S+ 0 0 58 1,-0.2 3,-2.7 -10,-0.2 5,-0.1 0.565 110.2 67.1 -2.1-105.4 105.1 24.9 91.6 845 412 C E G 3> S+ 0 0 110 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.388 87.4 67.7 8.3 -77.1 106.5 26.6 94.7 846 413 C E G <4 S+ 0 0 44 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.757 108.1 42.1 -24.0 -48.6 105.3 30.1 93.8 847 414 C V T <> S+ 0 0 12 -3,-2.7 4,-2.5 -4,-0.2 3,-0.3 0.993 112.6 43.9 -71.0 -70.2 101.7 28.8 94.4 848 415 C R H > S+ 0 0 181 1,-0.3 2,-3.9 2,-0.2 4,-0.8 0.960 110.3 67.7 -39.0 -49.3 101.8 26.6 97.4 849 416 C E H < S+ 0 0 105 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.0 -0.196 112.9 24.9 -65.5 52.0 103.8 29.6 98.5 850 417 C L H >4 S+ 0 0 13 -2,-3.9 3,-2.0 -3,-0.3 -1,-0.2 0.068 91.2 93.2-177.4 -43.9 100.7 31.7 98.3 851 418 C L H 3X S+ 0 0 32 -4,-2.5 4,-1.2 1,-0.3 3,-0.3 0.735 95.8 46.3 -36.3 -33.4 97.8 29.4 98.9 852 419 C E H 3X>S+ 0 0 63 -4,-0.8 4,-3.0 2,-0.3 5,-0.8 0.778 92.7 72.4 -85.1 -30.8 98.1 30.4 102.6 853 420 C W H <45S+ 0 0 153 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.345 111.5 40.6 -66.2 12.5 98.5 34.1 102.0 854 421 C Y H >5S+ 0 0 48 -3,-0.3 4,-1.2 -4,-0.2 -2,-0.3 0.612 116.0 41.8-125.0 -50.9 94.9 33.4 101.3 855 422 C N H X5S+ 0 0 55 -4,-1.2 4,-0.6 -5,-0.2 -2,-0.2 0.527 123.6 41.9 -82.1 -7.1 93.8 30.9 103.9 856 423 C N H X5S+ 0 0 56 -4,-3.0 4,-2.9 2,-0.2 5,-0.4 0.768 102.5 65.7-103.7 -42.8 95.7 32.8 106.5 857 424 C M H >S+ 0 0 39 -4,-1.2 4,-2.8 3,-0.2 5,-0.5 0.933 110.2 63.9 -38.1 -72.1 91.1 35.4 106.3 859 426 C R H <5S+ 0 0 154 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.758 121.9 21.6 -17.8 -70.2 92.3 33.4 109.3 860 427 C L H ><5S+ 0 0 96 -4,-2.9 3,-4.3 -3,-0.3 -1,-0.2 0.997 127.0 54.8 -65.3 -66.0 93.6 36.5 110.8 861 428 C L H 3<5S+ 0 0 42 -4,-4.4 -3,-0.2 -5,-0.4 -2,-0.2 0.840 104.6 53.1 -26.5 -72.7 91.3 38.7 108.7 862 429 C K T 3<5S+ 0 0 114 -4,-2.8 2,-3.0 1,-0.2 -1,-0.3 0.430 76.5 123.6 -51.2 2.0 88.3 36.8 109.9 863 430 C M < < + 0 0 111 -3,-4.3 2,-1.0 -5,-0.5 -1,-0.2 -0.265 27.0 154.8 -74.9 68.6 89.4 37.5 113.4 864 431 C V 0 0 80 -2,-3.0 -1,-0.1 1,-0.2 -2,-0.1 -0.780 360.0 360.0 -96.4 95.3 86.3 39.3 114.6 865 432 C K 0 0 249 -2,-1.0 -1,-0.2 0, 0.0 -2,-0.1 0.944 360.0 360.0 51.4 360.0 86.2 38.8 118.3 866 !* 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 0.0 867 1 E M 0 0 95 0, 0.0 3,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-124.0 44.9 12.3 38.6 868 2 E L > + 0 0 49 1,-0.2 4,-0.7 32,-0.1 31,-0.1 0.981 360.0 71.9 -55.1 -61.9 46.5 13.3 35.4 869 3 E E T >4 S+ 0 0 86 1,-0.3 2,-3.0 2,-0.2 3,-2.8 0.740 90.0 61.3 -18.4 -68.2 50.0 13.5 36.8 870 4 E N T 34 S+ 0 0 108 1,-0.3 -1,-0.3 2,-0.2 29,-0.1 -0.385 98.9 55.6 -70.5 73.2 50.0 9.7 37.2 871 5 E I T >> S+ 0 0 28 -2,-3.0 3,-1.5 286,-0.1 4,-1.1 -0.054 85.5 77.3-164.7 -40.0 49.7 9.3 33.4 872 6 E R T << S+ 0 0 114 -3,-2.8 4,-0.4 -4,-0.7 -2,-0.2 0.467 93.8 58.1 -59.2 2.3 52.7 11.5 32.8 873 7 E D T 3> S+ 0 0 46 -4,-0.2 4,-4.7 2,-0.2 5,-0.4 0.726 83.8 70.6-102.2 -37.4 54.1 8.1 33.9 874 8 E A H <> S+ 0 0 15 -3,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.833 90.5 74.7 -47.7 -26.4 52.5 6.3 31.0 875 9 E V H >X S+ 0 0 42 -4,-1.1 3,-0.8 2,-0.2 4,-0.5 0.974 112.6 14.8 -49.2 -73.0 55.2 8.4 29.5 876 10 E R H 34 S+ 0 0 186 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.774 115.5 74.3 -77.5 -23.6 58.1 6.3 30.6 877 11 E K H 3< S+ 0 0 166 -4,-4.7 -1,-0.3 1,-0.3 -2,-0.2 0.759 101.8 48.4 -55.7 -17.4 55.7 3.5 31.4 878 12 E F H << S+ 0 0 22 -3,-0.8 2,-4.0 -4,-0.7 -1,-0.3 0.762 85.5 86.5 -90.3 -34.7 55.9 3.6 27.6 879 13 E L < + 0 0 111 -4,-0.5 2,-0.4 -3,-0.2 -1,-0.2 -0.293 65.9 117.2 -69.1 63.2 59.7 3.6 27.5 880 14 E T - 0 0 38 -2,-4.0 3,-0.1 3,-0.1 -1,-0.1 -0.888 47.0-172.1-138.1 102.4 59.6 -0.2 27.6 881 15 E G S S+ 0 0 74 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.839 82.6 74.4 -60.3 -33.0 60.9 -2.2 24.7 882 16 E S S S+ 0 0 119 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.941 88.3 61.8 -41.5 -71.1 59.5 -5.3 26.5 883 17 E T S S- 0 0 66 -3,-0.1 -3,-0.1 1,-0.1 0, 0.0 -0.327 89.7-122.2 -64.7 143.9 55.9 -4.5 25.6 884 18 E P - 0 0 90 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.816 28.9-100.0 -52.1-132.2 54.9 -4.4 21.9 885 19 E Y S > S+ 0 0 69 3,-0.1 3,-3.0 48,-0.0 2,-0.5 -0.459 84.2 30.4-140.8-149.1 53.4 -1.6 20.0 886 20 E E T 3> S+ 0 0 143 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.200 122.0 49.0 18.3 -66.3 50.1 -0.3 18.6 887 21 E K H 3> S+ 0 0 153 -2,-0.5 4,-2.4 1,-0.3 -1,-0.3 0.989 106.5 57.7 -50.8 -57.7 48.1 -1.9 21.4 888 22 E A H <> S+ 0 0 14 -3,-3.0 4,-1.9 2,-0.2 -1,-0.3 0.881 110.8 48.6 -33.7 -50.8 50.6 -0.3 23.7 889 23 E V H > S+ 0 0 20 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.975 108.2 43.3 -54.5 -88.1 49.4 2.9 22.0 890 24 E D H X S+ 0 0 41 -4,-1.6 4,-3.5 2,-0.2 5,-0.4 0.804 115.2 52.8 -30.7 -52.5 45.6 2.9 22.0 891 25 E E H X S+ 0 0 81 -4,-2.4 4,-4.6 -5,-0.2 6,-0.2 0.954 111.7 43.9 -46.5 -79.6 45.7 1.7 25.6 892 26 E F H X>S+ 0 0 33 -4,-1.9 4,-4.7 -5,-0.3 5,-0.5 0.832 114.3 53.8 -27.4 -54.6 48.0 4.5 26.5 893 27 E I H X5S+ 0 0 11 -4,-3.2 4,-5.5 2,-0.2 5,-0.3 0.959 118.2 32.3 -45.2 -77.6 45.6 6.6 24.4 894 28 E K H X5S+ 0 0 114 -4,-3.5 4,-4.2 2,-0.2 -2,-0.2 0.904 120.3 55.6 -44.2 -51.9 42.6 5.5 26.3 895 29 E D H >X5S+ 0 0 73 -4,-4.6 4,-1.9 -5,-0.4 3,-0.9 0.966 118.0 31.4 -47.0 -70.8 44.7 5.2 29.4 896 30 E L H 3X5S+ 0 0 25 -4,-4.7 4,-1.1 1,-0.3 -2,-0.2 0.983 119.2 58.6 -48.3 -59.4 45.8 8.8 29.1 897 31 E Q H 3X< S+ 0 0 36 -4,-1.1 3,-1.8 -3,-0.3 -1,-0.2 0.981 106.0 33.4 -78.6 -80.7 41.5 13.1 31.7 901 35 E I H 3< S+ 0 0 58 -4,-0.9 3,-0.4 1,-0.3 -2,-0.2 0.918 116.0 60.5 -46.3 -46.4 37.8 13.2 31.9 902 36 E S T 3< S+ 0 0 98 -4,-1.6 2,-1.2 1,-0.3 -1,-0.3 0.871 103.2 53.9 -49.0 -36.3 38.1 11.4 35.2 903 37 E S S < S- 0 0 11 -3,-1.8 2,-0.7 -5,-0.4 218,-0.7 -0.592 134.4 -91.3 -97.9 67.3 40.0 14.6 36.1 904 38 E D S S+ 0 0 31 -2,-1.2 -1,-0.1 -3,-0.4 215,-0.1 -0.465 76.7 145.9 63.0-108.0 37.2 16.8 35.1 905 39 E V - 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0 0 31 -5,-2.1 -1,-0.2 -6,-0.5 5,-0.2 -0.809 64.9-118.2 -98.5 118.2 -27.5 106.1 17.7 1709 410 G E > - 0 0 101 -2,-0.6 3,-1.0 -3,-0.1 4,-0.2 -0.266 45.9 -97.8 -50.9 123.8 -31.0 106.6 16.3 1710 411 G V G > S+ 0 0 58 1,-0.2 3,-2.7 -10,-0.2 5,-0.1 0.565 110.2 67.1 -2.1-105.4 -31.4 104.3 13.3 1711 412 G E G 3> S+ 0 0 111 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.388 87.4 67.7 8.3 -77.0 -30.7 106.4 10.3 1712 413 G E G <4 S+ 0 0 46 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.757 108.1 42.1 -24.1 -48.6 -27.0 107.0 11.1 1713 414 G V T <> S+ 0 0 14 -3,-2.7 4,-2.5 -4,-0.2 3,-0.3 0.993 112.6 43.9 -71.0 -70.1 -26.4 103.3 10.4 1714 415 G R H > S+ 0 0 185 1,-0.3 2,-3.9 2,-0.2 4,-0.8 0.960 110.3 67.7 -39.1 -49.2 -28.4 102.4 7.3 1715 416 G E H < S+ 0 0 104 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.0 -0.197 112.9 25.0 -65.6 52.0 -26.8 105.7 6.4 1716 417 G L H >4 S+ 0 0 14 -2,-3.9 3,-2.0 -3,-0.3 -1,-0.2 0.067 91.3 93.2-177.4 -43.9 -23.4 104.0 6.4 1717 418 G L H 3X S+ 0 0 29 -4,-2.5 4,-1.2 1,-0.3 3,-0.3 0.734 95.8 46.3 -36.2 -33.4 -24.0 100.4 5.8 1718 419 G E H 3X>S+ 0 0 66 -4,-0.8 4,-3.0 2,-0.3 5,-0.8 0.777 92.7 72.4 -85.2 -30.8 -23.4 101.2 2.1 1719 420 G W H <45S+ 0 0 154 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.346 111.5 40.6 -66.3 12.5 -20.3 103.3 2.6 1720 421 G Y H >5S+ 0 0 48 -3,-0.3 4,-1.2 -4,-0.2 -2,-0.3 0.612 116.0 41.8-125.0 -50.9 -19.2 99.8 3.2 1721 422 G N H X5S+ 0 0 56 -4,-1.2 4,-0.6 -5,-0.2 -2,-0.2 0.528 123.7 41.9 -82.1 -7.0 -20.9 97.7 0.6 1722 423 G N H X5S+ 0 0 56 -4,-3.0 4,-2.9 2,-0.2 5,-0.4 0.769 102.5 65.6-103.6 -42.8 -20.2 100.3 -2.0 1723 424 G M H >S+ 0 0 36 -4,-1.2 4,-2.8 3,-0.2 5,-0.5 0.934 110.2 63.9 -38.1 -72.1 -15.7 97.6 -1.9 1725 426 G R H <5S+ 0 0 154 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.758 121.8 21.6 -17.8 -70.2 -18.1 97.8 -4.9 1726 427 G L H ><5S+ 0 0 97 -4,-2.9 3,-4.3 -3,-0.3 -1,-0.2 0.997 127.0 54.8 -65.3 -65.9 -16.0 100.5 -6.3 1727 428 G L H 3<5S+ 0 0 41 -4,-4.4 -3,-0.2 -5,-0.4 -2,-0.2 0.839 104.6 53.1 -26.5 -72.7 -13.0 99.5 -4.3 1728 429 G K T 3<5S+ 0 0 114 -4,-2.8 2,-3.0 1,-0.2 -1,-0.3 0.429 76.5 123.6 -51.2 2.1 -13.1 96.0 -5.6 1729 430 G M < < + 0 0 114 -3,-4.3 2,-1.0 -5,-0.5 -1,-0.2 -0.266 27.0 154.8 -74.9 68.6 -13.1 97.4 -9.1 1730 431 G V 0 0 80 -2,-3.0 -1,-0.1 1,-0.2 -2,-0.1 -0.781 360.0 360.0 -96.3 95.3 -10.1 95.6 -10.3 1731 432 G K 0 0 251 -2,-1.0 -1,-0.2 0, 0.0 -2,-0.1 0.943 360.0 360.0 51.4 360.0 -10.5 95.3 -14.1