==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-10 3MWL . COMPND 2 MOLECULE: HEAT RESISTANT RNA DEPENDENT ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.G.RUDOLPH,D.KLOSTERMEIER . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 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 . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 0 0 4 7 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 9 1 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 1 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 1 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 28 0, 0.0 2,-0.2 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 145.2 -0.8 22.1 13.1 2 2 A E > - 0 0 72 21,-0.2 3,-1.9 1,-0.1 21,-0.2 -0.581 360.0-101.5 -94.4 166.5 -4.3 23.4 12.5 3 3 A F G > S+ 0 0 1 19,-2.8 3,-2.0 1,-0.3 5,-0.2 0.883 123.3 61.9 -56.0 -36.4 -6.8 23.9 15.3 4 4 A K G 3 S+ 0 0 116 18,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.668 92.5 66.4 -65.1 -15.3 -8.5 20.6 14.2 5 5 A D G < S+ 0 0 47 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.495 90.9 77.3 -85.1 -3.4 -5.2 18.9 15.1 6 6 A F S < S- 0 0 7 -3,-2.0 2,-2.0 -4,-0.2 208,-0.1 -0.726 99.7 -99.7-102.5 157.0 -5.6 19.6 18.8 7 7 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.513 67.6 148.8 -76.5 78.1 -8.0 17.8 21.1 8 8 A L - 0 0 15 -2,-2.0 5,-0.0 -5,-0.2 49,-0.0 -0.836 55.3 -95.8-114.1 150.0 -10.8 20.3 21.0 9 9 A K >> - 0 0 80 -2,-0.3 4,-2.3 1,-0.1 3,-1.0 -0.373 34.7-121.6 -62.4 142.2 -14.6 19.7 21.3 10 10 A P H 3> S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.850 112.9 54.0 -56.0 -34.7 -16.2 19.5 17.9 11 11 A E H 3> S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.784 107.6 50.4 -73.4 -25.7 -18.5 22.4 18.7 12 12 A I H <> S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.917 110.6 48.8 -73.5 -43.4 -15.5 24.6 19.6 13 13 A L H X S+ 0 0 28 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.904 109.9 53.7 -59.2 -40.6 -13.9 23.7 16.3 14 14 A E H X S+ 0 0 132 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.900 106.7 51.0 -58.9 -43.8 -17.1 24.5 14.6 15 15 A A H X S+ 0 0 18 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.912 111.6 48.1 -62.0 -43.0 -17.1 27.9 16.3 16 16 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.9 0.957 111.8 47.1 -63.1 -51.2 -13.6 28.6 15.1 17 17 A H H ><5S+ 0 0 87 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.859 108.6 57.9 -62.6 -30.6 -14.2 27.5 11.5 18 18 A G H 3<5S+ 0 0 59 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.791 106.1 48.0 -66.3 -29.1 -17.4 29.7 11.6 19 19 A R T <<5S- 0 0 164 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.398 121.7-110.1 -89.4 1.6 -15.2 32.7 12.5 20 20 A G T < 5S+ 0 0 59 -3,-1.1 2,-0.6 -4,-0.4 -3,-0.2 0.699 75.3 135.0 77.8 21.6 -12.9 31.8 9.6 21 21 A L < + 0 0 77 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.908 8.8 144.8-110.2 116.1 -10.0 30.7 12.0 22 22 A T + 0 0 64 -2,-0.6 -19,-2.8 1,-0.2 -18,-0.4 0.606 57.2 57.5-118.5 -22.8 -8.2 27.5 11.2 23 23 A T - 0 0 79 -21,-0.2 -1,-0.2 -20,-0.1 -21,-0.2 -0.949 69.1-135.8-126.4 124.4 -4.6 28.0 12.1 24 24 A P - 0 0 11 0, 0.0 27,-0.1 0, 0.0 -2,-0.0 -0.453 25.7-118.6 -70.9 150.4 -3.0 29.0 15.4 25 25 A T > - 0 0 47 25,-0.2 4,-2.9 -2,-0.1 5,-0.2 -0.307 40.6 -94.0 -71.9 168.4 -0.3 31.6 15.5 26 26 A P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.924 127.0 49.4 -58.9 -43.4 3.1 30.4 16.8 27 27 A I H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.913 114.4 46.2 -59.5 -42.1 2.4 31.5 20.4 28 28 A E H > S+ 0 0 10 22,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.916 111.7 51.0 -66.3 -43.1 -1.0 29.8 20.3 29 29 A A H < S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.4 41.3 -60.5 -44.9 0.3 26.6 18.8 30 30 A A H < S+ 0 0 0 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.816 118.2 47.1 -74.6 -32.5 3.1 26.2 21.4 31 31 A A H X S+ 0 0 3 -4,-2.0 4,-2.8 -5,-0.3 3,-0.5 0.825 95.5 74.3 -77.7 -33.1 0.9 27.2 24.3 32 32 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.867 89.1 53.7 -56.8 -45.7 -2.1 25.0 23.6 33 33 A P H > S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.907 119.0 35.8 -59.5 -40.1 -0.8 21.6 24.6 34 34 A L H 4>S+ 0 0 2 -3,-0.5 5,-2.3 -4,-0.4 3,-0.4 0.887 117.5 50.9 -78.6 -41.5 0.2 22.8 28.1 35 35 A A H ><5S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.2 -3,-0.2 0.892 106.8 54.7 -64.3 -38.4 -2.7 25.3 28.5 36 36 A L H 3<5S+ 0 0 44 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.759 105.4 53.8 -66.5 -25.4 -5.3 22.6 27.6 37 37 A E T 3<5S- 0 0 84 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.276 124.0-105.2 -93.4 12.0 -3.9 20.4 30.3 38 38 A G T < 5 + 0 0 24 -3,-1.6 -3,-0.2 1,-0.2 140,-0.1 0.580 69.4 147.1 86.2 9.9 -4.3 23.1 32.9 39 39 A K < - 0 0 102 -5,-2.3 -1,-0.2 138,-0.1 2,-0.2 -0.435 50.4-109.0 -79.7 153.8 -0.7 24.2 33.2 40 40 A D + 0 0 6 158,-0.5 161,-1.8 -2,-0.1 2,-0.3 -0.582 41.2 179.5 -79.4 144.8 0.6 27.7 34.0 41 41 A L E -ab 179 201A 4 137,-1.3 139,-2.5 159,-0.3 2,-0.5 -0.996 28.9-147.4-146.6 146.5 2.4 29.6 31.1 42 42 A I E -ab 180 202A 12 159,-2.8 161,-2.8 -2,-0.3 2,-0.7 -0.981 22.0-160.6-111.8 119.1 4.0 32.9 30.4 43 43 A G E -ab 181 203A 3 137,-2.9 139,-2.1 -2,-0.5 2,-0.9 -0.902 3.9-163.9-105.4 112.0 3.4 33.8 26.8 44 44 A Q E + b 0 204A 23 159,-3.2 161,-2.7 -2,-0.7 162,-0.5 -0.834 36.1 131.3 -97.3 101.7 5.8 36.4 25.4 45 45 A A - 0 0 8 -2,-0.9 161,-0.1 137,-0.2 6,-0.1 -0.924 61.0 -74.4-143.9 164.8 4.4 37.7 22.2 46 46 A R - 0 0 147 -2,-0.3 -1,-0.0 1,-0.1 106,-0.0 -0.196 54.2 -99.0 -64.5 152.2 3.7 41.1 20.7 47 47 A T S S+ 0 0 75 3,-0.0 2,-0.3 105,-0.0 -1,-0.1 -0.330 87.9 34.0 -62.4 154.4 0.9 43.3 22.0 48 48 A G S S- 0 0 33 -2,-0.0 3,-0.4 2,-0.0 104,-0.0 -0.690 105.5 -0.6 99.9-152.6 -2.4 43.4 20.0 49 49 A T S S+ 0 0 94 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.192 95.3 68.9 -70.6 162.5 -3.9 40.5 18.1 50 50 A G S S+ 0 0 27 -5,-0.0 -22,-0.4 -25,-0.0 -25,-0.2 0.378 89.1 58.0 117.9 -2.4 -2.5 37.1 17.7 51 51 A K >> + 0 0 3 -3,-0.4 3,-1.9 -24,-0.1 4,-0.5 0.500 65.1 100.9-131.2 -9.6 -2.7 35.4 21.1 52 52 A T H >> S+ 0 0 13 1,-0.3 4,-3.2 2,-0.2 3,-1.6 0.850 81.4 56.0 -52.2 -42.1 -6.3 35.4 22.3 53 53 A L H 3> S+ 0 0 16 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.716 90.9 73.6 -69.0 -17.4 -6.9 31.7 21.4 54 54 A A H <4 S+ 0 0 1 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.758 118.9 17.0 -66.8 -22.2 -4.0 30.6 23.6 55 55 A F H S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.904 112.4 48.6 -59.3 -39.3 -8.5 26.5 27.1 59 59 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.947 112.8 48.1 -63.0 -48.2 -11.3 28.5 28.9 60 60 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.890 116.4 43.4 -57.3 -42.3 -13.8 27.2 26.4 61 61 A E H < S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.855 115.5 46.7 -70.6 -39.1 -12.5 23.6 26.8 62 62 A R H < S+ 0 0 99 -4,-2.4 2,-0.6 -5,-0.2 -2,-0.2 0.831 99.5 71.5 -78.7 -33.0 -12.2 23.6 30.5 63 63 A L < - 0 0 1 -4,-2.0 -1,-0.1 -5,-0.2 35,-0.1 -0.765 67.7-153.0 -97.5 116.0 -15.6 25.1 31.5 64 64 A A - 0 0 61 -2,-0.6 -2,-0.0 1,-0.1 -3,-0.0 -0.373 36.9 -83.0 -74.8 161.6 -18.7 23.1 31.1 65 65 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.317 47.4-172.2 -61.0 149.1 -22.1 24.8 30.6 66 66 A S - 0 0 38 32,-0.4 34,-0.1 -3,-0.1 56,-0.0 -0.994 22.4-173.6-143.4 145.3 -24.0 26.1 33.6 67 67 A Q + 0 0 157 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.365 38.9 136.2-116.3 2.0 -27.4 27.5 34.0 68 68 A E > - 0 0 109 1,-0.1 3,-1.7 2,-0.1 2,-0.1 -0.317 56.6-125.2 -58.3 119.2 -27.3 28.5 37.7 69 69 A R T 3 S+ 0 0 231 1,-0.3 51,-0.2 -2,-0.2 50,-0.1 -0.453 94.0 13.2 -64.9 134.0 -28.8 32.0 38.2 70 70 A G T 3 S+ 0 0 18 49,-2.8 50,-0.3 1,-0.2 -1,-0.3 0.554 90.1 166.7 78.3 8.3 -26.4 34.3 39.9 71 71 A R < - 0 0 32 -3,-1.7 50,-1.9 48,-0.4 -1,-0.2 -0.188 34.6-119.7 -58.4 147.1 -23.5 31.9 39.4 72 72 A K - 0 0 82 48,-0.2 70,-0.1 1,-0.1 -1,-0.1 -0.608 36.2 -91.2 -88.2 151.0 -20.0 33.3 39.9 73 73 A P - 0 0 5 0, 0.0 71,-0.4 0, 0.0 50,-0.2 -0.278 24.2-163.8 -67.0 143.9 -17.4 33.4 37.1 74 74 A R S S+ 0 0 37 48,-2.5 72,-2.9 71,-0.2 73,-1.3 0.447 78.5 44.8-104.8 -5.1 -15.0 30.4 36.7 75 75 A A E -cd 123 147A 0 47,-1.1 49,-2.1 70,-0.2 2,-0.4 -1.000 63.5-167.4-136.7 141.2 -12.6 32.4 34.5 76 76 A L E -cd 124 148A 1 71,-2.6 73,-2.7 -2,-0.4 2,-0.5 -0.993 3.1-174.0-125.9 123.9 -11.2 35.9 34.9 77 77 A V E -cd 125 149A 0 47,-3.0 49,-2.9 -2,-0.4 2,-0.4 -0.976 9.1-159.2-116.3 121.0 -9.3 37.7 32.1 78 78 A L E -cd 126 150A 1 71,-3.1 73,-2.8 -2,-0.5 49,-0.2 -0.860 9.4-176.1 -99.8 138.4 -7.7 41.1 33.0 79 79 A T - 0 0 0 47,-2.4 73,-0.1 -2,-0.4 6,-0.1 -0.920 29.3-130.5-127.4 151.6 -6.9 43.6 30.2 80 80 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.830 86.0 43.7 -75.0 -27.8 -5.1 46.9 30.6 81 81 A T S > S- 0 0 28 1,-0.1 4,-2.0 46,-0.1 5,-0.1 -0.808 73.0-127.7-123.7 159.3 -7.7 49.0 28.6 82 82 A R H > S+ 0 0 124 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.867 112.1 55.9 -64.9 -38.8 -11.4 49.4 28.3 83 83 A E H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 109.9 45.5 -62.4 -43.0 -11.1 48.9 24.5 84 84 A L H > S+ 0 0 21 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.848 106.0 59.2 -71.2 -32.9 -9.3 45.6 25.0 85 85 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.947 110.7 43.1 -59.1 -46.0 -11.8 44.4 27.6 86 86 A L H X S+ 0 0 88 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 116.5 47.4 -62.2 -46.4 -14.6 44.8 25.0 87 87 A Q H X S+ 0 0 108 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.923 114.5 44.1 -64.5 -47.3 -12.5 43.2 22.2 88 88 A V H X S+ 0 0 1 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.887 110.6 55.3 -70.4 -37.8 -11.3 40.2 24.2 89 89 A A H X S+ 0 0 9 -4,-2.1 4,-2.6 -5,-0.4 -1,-0.2 0.928 110.3 47.2 -56.5 -43.7 -14.8 39.7 25.6 90 90 A S H X S+ 0 0 80 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.901 112.9 48.0 -64.5 -43.4 -16.2 39.6 22.0 91 91 A E H X S+ 0 0 73 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.921 114.4 45.3 -64.7 -46.4 -13.4 37.2 20.9 92 92 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 3,-0.4 0.915 109.0 57.3 -63.5 -43.7 -13.9 34.8 23.8 93 93 A T H < S+ 0 0 70 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.889 105.6 51.4 -50.1 -42.6 -17.7 35.0 23.4 94 94 A A H < S+ 0 0 35 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 114.4 39.9 -74.0 -30.0 -17.4 33.7 19.8 95 95 A V H < S+ 0 0 3 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.571 118.5 47.2 -96.1 -8.7 -15.2 30.7 20.7 96 96 A A >< + 0 0 0 -4,-1.6 3,-2.2 -3,-0.2 -1,-0.2 -0.558 63.3 160.1-124.3 65.7 -17.1 29.7 23.9 97 97 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.716 72.8 60.3 -63.7 -19.0 -20.7 29.9 22.7 98 98 A H T 3 S+ 0 0 55 -3,-0.1 -32,-0.4 -35,-0.1 2,-0.3 0.527 97.7 74.5 -85.2 -5.2 -21.7 27.7 25.6 99 99 A L S < S- 0 0 14 -3,-2.2 2,-0.7 -6,-0.2 -3,-0.1 -0.793 78.4-126.6-110.2 150.0 -20.5 30.2 28.2 100 100 A K - 0 0 64 -2,-0.3 22,-2.6 -34,-0.1 23,-1.9 -0.850 29.1-165.2 -92.8 113.4 -21.8 33.6 29.4 101 101 A V E -e 123 0A 24 -2,-0.7 2,-0.5 21,-0.2 23,-0.2 -0.858 2.9-166.8-102.3 131.3 -19.0 36.1 29.0 102 102 A V E -e 124 0A 11 21,-2.6 23,-2.0 -2,-0.5 2,-0.3 -0.976 10.2-146.5-124.9 120.9 -19.4 39.5 30.8 103 103 A A E -e 125 0A 22 -2,-0.5 2,-0.4 21,-0.2 23,-0.2 -0.683 14.5-169.4 -85.2 135.9 -17.2 42.5 30.0 104 104 A V E +e 126 0A 0 21,-2.8 23,-1.5 -2,-0.3 2,-0.3 -0.995 23.2 133.0-131.5 125.7 -16.4 44.8 33.0 105 105 A Y - 0 0 55 -2,-0.4 3,-0.2 21,-0.2 8,-0.1 -0.972 45.4-110.5-170.3 152.4 -14.7 48.2 32.5 106 106 A G S S+ 0 0 6 -2,-0.3 3,-0.1 1,-0.2 21,-0.0 -0.048 77.8 81.4 -79.8-174.1 -14.8 51.9 33.4 107 107 A G S S+ 0 0 63 1,-0.3 2,-0.3 -25,-0.0 -1,-0.2 0.573 96.2 51.3 89.2 8.1 -15.7 54.8 31.2 108 108 A T S S- 0 0 84 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 -0.917 98.1 -66.3-157.7 178.7 -19.4 54.2 31.7 109 109 A G - 0 0 47 -2,-0.3 4,-0.3 -3,-0.1 -1,-0.1 -0.015 34.9-124.0 -69.5 178.6 -21.9 53.8 34.5 110 110 A Y S > S+ 0 0 109 2,-0.1 4,-2.2 1,-0.1 5,-0.2 0.649 87.5 85.2 -96.2 -18.8 -22.0 50.9 37.0 111 111 A G H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.889 88.6 40.7 -55.9 -58.1 -25.6 49.8 36.4 112 112 A K H > S+ 0 0 177 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 117.1 47.5 -66.1 -42.9 -25.6 47.4 33.4 113 113 A Q H > S+ 0 0 14 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.906 112.2 50.5 -64.9 -41.7 -22.4 45.6 34.4 114 114 A K H X S+ 0 0 90 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.948 110.5 50.3 -60.5 -46.2 -23.6 45.1 37.9 115 115 A E H X S+ 0 0 119 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.920 110.7 49.5 -55.7 -46.3 -26.9 43.8 36.6 116 116 A A H X S+ 0 0 25 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.930 111.0 48.6 -62.2 -46.7 -25.1 41.3 34.3 117 117 A L H < S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.6 51.3 -61.5 -38.8 -22.8 40.0 37.1 118 118 A L H < S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 105.8 54.3 -69.1 -34.6 -25.8 39.5 39.4 119 119 A R H < S- 0 0 172 -4,-2.0 -49,-2.8 -5,-0.2 -48,-0.4 0.807 125.9 -96.9 -65.9 -28.2 -27.7 37.5 36.8 120 120 A G < - 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0 0 14 29,-1.2 4,-1.3 -2,-0.8 3,-0.6 0.957 69.3-179.6 79.4 63.5 -0.8 42.4 28.2 153 153 A A H 3> S+ 0 0 0 28,-2.7 4,-2.1 -3,-0.4 29,-0.2 0.802 73.0 66.6 -65.2 -30.1 0.8 42.7 31.6 154 154 A D H 3> S+ 0 0 26 27,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 103.0 45.7 -58.8 -42.1 3.4 45.3 30.4 155 155 A E H <> S+ 0 0 71 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.824 106.6 58.2 -74.1 -30.4 0.7 47.8 29.8 156 156 A M H <>S+ 0 0 0 -4,-1.3 5,-2.8 2,-0.2 4,-0.5 0.945 110.4 46.1 -58.4 -43.7 -1.0 47.1 33.1 157 157 A L H ><5S+ 0 0 51 -4,-2.1 3,-1.3 3,-0.2 5,-0.3 0.930 111.6 49.3 -62.6 -47.8 2.4 48.0 34.6 158 158 A S H 3<5S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.822 110.5 50.7 -69.7 -26.3 2.8 51.1 32.5 159 159 A M T 3<5S- 0 0 90 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.535 118.2-114.4 -83.8 -8.2 -0.7 52.3 33.4 160 160 A G T < 5S+ 0 0 40 -3,-1.3 3,-0.3 -4,-0.5 -3,-0.2 0.812 73.2 134.1 83.0 32.8 0.1 51.7 37.1 161 161 A F >< + 0 0 44 -5,-2.8 4,-2.7 1,-0.2 5,-0.3 0.211 30.2 113.4 -94.1 12.8 -2.4 48.9 37.8 162 162 A E H > S+ 0 0 66 -6,-0.3 4,-2.3 -5,-0.3 5,-0.2 0.897 77.3 47.2 -55.1 -46.5 0.1 46.7 39.7 163 163 A E H > S+ 0 0 150 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.923 114.5 46.9 -63.2 -43.5 -1.6 47.0 43.1 164 164 A E H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 111.7 50.3 -63.4 -43.7 -5.0 46.3 41.6 165 165 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.924 112.2 47.5 -63.3 -42.6 -3.8 43.3 39.6 166 166 A E H X S+ 0 0 54 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.901 110.8 51.2 -65.7 -39.8 -2.2 41.8 42.6 167 167 A A H X S+ 0 0 29 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.911 112.0 47.5 -62.9 -41.3 -5.2 42.3 44.8 168 168 A L H X S+ 0 0 0 -4,-2.4 4,-0.5 2,-0.2 3,-0.5 0.938 112.3 48.0 -65.1 -47.5 -7.4 40.6 42.2 169 169 A L H >< S+ 0 0 4 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.912 110.1 53.9 -58.9 -41.0 -5.0 37.7 41.8 170 170 A S H 3< S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 101.8 59.2 -63.5 -28.8 -4.9 37.3 45.6 171 171 A A H 3< S+ 0 0 41 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.568 95.3 79.8 -77.2 -11.1 -8.7 37.2 45.8 172 172 A T S << S- 0 0 6 -3,-1.4 -29,-0.2 -4,-0.5 -26,-0.1 -0.564 96.2 -90.1 -94.6 162.1 -8.8 34.0 43.5 173 173 A P > - 0 0 31 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.524 26.6-139.9 -69.1 129.7 -8.1 30.4 44.6 174 174 A P T 3 S+ 0 0 105 0, 0.0 -3,-0.0 0, 0.0 -28,-0.0 0.698 98.8 74.6 -63.9 -15.8 -4.4 29.5 44.2 175 175 A S T 3 S+ 0 0 95 2,-0.1 -29,-0.1 0, 0.0 -3,-0.0 0.676 80.9 106.0 -66.9 -15.0 -5.5 26.1 42.9 176 176 A R S < S- 0 0 8 -3,-2.0 2,-0.4 -31,-0.2 -29,-0.2 -0.029 78.5-109.9 -61.1 165.2 -6.4 28.0 39.7 177 177 A Q E - f 0 147A 5 -31,-3.0 -29,-2.8 -138,-0.1 2,-0.4 -0.812 33.3-157.2 -90.8 139.3 -4.5 27.9 36.4 178 178 A T E - f 0 148A 3 -2,-0.4 -137,-1.3 -31,-0.2 2,-0.4 -0.981 12.2-174.9-125.6 127.3 -2.8 31.2 35.5 179 179 A L E -af 41 149A 0 -31,-2.6 -29,-2.4 -2,-0.4 2,-0.5 -0.986 7.7-169.3-118.9 127.8 -1.8 32.4 32.1 180 180 A L E -af 42 150A 2 -139,-2.5 -137,-2.9 -2,-0.4 2,-0.5 -0.976 3.0-165.5-122.6 127.4 0.3 35.6 31.7 181 181 A F E +af 43 151A 4 -31,-3.2 -28,-2.7 -2,-0.5 -29,-1.2 -0.950 19.7 153.8-117.8 130.6 0.9 37.4 28.5 182 182 A S - 0 0 2 -139,-2.1 -137,-0.2 -2,-0.5 -2,-0.0 -0.980 38.0-148.0-154.2 134.3 3.6 40.0 28.1 183 183 A A S S+ 0 0 21 -2,-0.3 -1,-0.1 -139,-0.2 23,-0.1 0.857 97.8 19.8 -72.2 -34.7 5.7 41.4 25.3 184 184 A T S S- 0 0 94 -139,-0.0 -1,-0.1 -138,-0.0 -140,-0.1 0.570 84.2-135.3-118.2 -13.1 8.8 42.3 27.4 185 185 A L - 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0 0 20 -4,-0.9 2,-0.6 -5,-0.4 -20,-0.1 -0.898 66.2-132.6-129.2 157.5 18.7 30.3 13.4 406 198 B K S S- 0 0 105 -2,-0.3 -158,-0.5 -20,-0.2 3,-0.1 -0.917 78.2 -43.2-114.3 108.5 15.6 31.8 11.9 407 199 B N S S- 0 0 98 -2,-0.6 -1,-0.1 1,-0.1 -159,-0.1 0.857 80.9-155.3 39.5 52.5 13.3 33.7 14.4 408 200 B P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -159,-0.3 -0.263 8.3-131.3 -61.8 137.1 13.7 30.8 16.9 409 201 B V E - i 0 249A 11 -161,-2.1 -159,-3.2 -3,-0.1 2,-0.5 -0.757 20.2-139.4 -84.5 132.9 11.0 30.4 19.5 410 202 B L E -Gi 204 250A 27 -206,-2.7 -206,-2.8 -2,-0.4 2,-0.5 -0.840 17.9-173.6 -97.3 127.9 12.3 30.1 23.0 411 203 B I E -Gi 203 251A 1 -161,-2.9 -159,-3.3 -2,-0.5 2,-0.5 -0.980 4.7-173.4-120.3 117.0 10.7 27.6 25.3 412 204 B N E +Gi 202 252A 33 -210,-3.0 -210,-2.7 -2,-0.5 3,-0.2 -0.943 17.0 165.8-119.9 114.1 12.0 27.7 28.9 413 205 B V + 0 0 14 -161,-2.8 -159,-0.2 -2,-0.5 -160,-0.1 0.023 45.4 110.0-113.8 23.0 10.9 25.0 31.4 414 206 B I 0 0 56 -162,-0.3 -1,-0.2 -161,-0.1 -213,-0.1 0.804 360.0 360.0 -67.6 -27.5 13.4 25.7 34.1 415 207 B K 0 0 125 -215,-0.4 -216,-0.2 -3,-0.2 -1,-0.1 0.401 360.0 360.0 87.8 360.0 10.5 27.0 36.2