==== 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 19-MAY-04 1TA0 . COMPND 2 MOLECULE: CARBOXY-TERMINAL DOMAIN RNA POLYMERASE II . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KAMENSKI,S.HEILMEIER,T.MEINHART,P.CRAMER . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 9.4 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 . 3 1.7 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 . 18 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 3 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 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 76 A M 0 0 179 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 148.6 85.1 24.4 11.4 2 77 A Q - 0 0 166 1,-0.1 2,-0.0 2,-0.1 0, 0.0 -0.500 360.0-105.4 -73.7 142.8 82.7 27.3 11.8 3 78 A Y - 0 0 156 -2,-0.2 117,-0.2 1,-0.1 -1,-0.1 -0.362 20.6-127.0 -68.5 152.9 83.3 29.3 15.0 4 79 A L S S+ 0 0 33 115,-2.5 116,-0.2 101,-0.1 -1,-0.1 0.711 90.7 50.7 -74.4 -20.4 80.8 28.8 17.8 5 80 A L S S- 0 0 12 115,-0.9 -2,-0.1 114,-0.3 3,-0.1 -0.878 78.8-128.9-120.0 152.0 80.0 32.5 18.2 6 81 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.091 56.7 -53.9 -82.3-170.8 79.0 35.1 15.6 7 82 A E - 0 0 183 1,-0.1 2,-0.2 -2,-0.0 3,-0.1 -0.369 67.0-106.3 -63.4 145.1 80.7 38.5 15.2 8 83 A A - 0 0 34 -3,-0.1 5,-0.1 1,-0.1 -1,-0.1 -0.514 35.8-105.9 -74.9 141.5 80.8 40.4 18.5 9 84 A K >> - 0 0 115 -2,-0.2 3,-1.6 1,-0.1 4,-1.1 -0.340 34.0-108.8 -62.9 149.8 78.4 43.3 18.8 10 85 A A G >4 S+ 0 0 90 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.895 121.3 52.4 -45.4 -48.5 80.2 46.6 18.5 11 86 A Q G 34 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.722 112.3 44.5 -62.4 -26.1 79.6 47.2 22.2 12 87 A D G X4 S+ 0 0 2 -3,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.496 83.9 98.1 -98.1 -4.6 81.1 43.8 23.2 13 88 A S T << S+ 0 0 89 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.1 0.832 93.7 33.7 -52.0 -38.8 84.2 44.1 20.9 14 89 A D T 3 S+ 0 0 114 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.294 101.7 96.4-103.3 10.2 86.4 45.3 23.7 15 90 A K S < S- 0 0 57 -3,-1.6 2,-0.2 1,-0.1 56,-0.1 -0.645 81.1-103.9 -96.6 156.7 84.8 43.3 26.5 16 91 A I - 0 0 2 54,-0.3 56,-2.7 -2,-0.2 2,-0.6 -0.515 30.2-129.6 -76.7 145.0 86.1 39.9 27.8 17 92 A C E -ab 72 127A 1 109,-2.6 111,-2.4 106,-0.2 2,-0.6 -0.882 22.5-160.5 -98.6 123.1 84.0 36.9 26.7 18 93 A V E -ab 73 128A 0 54,-1.4 56,-2.7 -2,-0.6 2,-0.7 -0.921 8.0-152.9-112.6 118.9 83.1 34.6 29.6 19 94 A V E -ab 74 129A 1 109,-3.1 111,-3.4 -2,-0.6 2,-0.5 -0.788 19.8-162.5 -87.4 116.7 82.1 31.0 29.1 20 95 A I E -ab 75 130A 1 54,-3.2 56,-2.3 -2,-0.7 111,-0.2 -0.902 7.9-141.0-112.3 128.2 79.8 30.0 31.9 21 96 A X - 0 0 19 109,-2.5 56,-0.2 -2,-0.5 5,-0.1 -0.384 6.2-158.2 -78.2 156.0 78.9 26.4 33.0 22 97 A L >>> + 0 0 0 54,-0.2 4,-2.4 3,-0.2 5,-1.7 0.880 64.4 69.6 -99.4 -69.3 75.4 25.4 34.1 23 98 A D B 345S-e 27 0B 25 1,-0.3 109,-0.3 2,-0.2 5,-0.2 -0.363 121.0 -8.1 -64.1 122.8 75.4 22.2 36.2 24 99 A E T 345S+ 0 0 42 3,-2.8 126,-2.1 -2,-0.2 -1,-0.3 0.476 130.3 70.3 70.6 5.5 76.9 22.5 39.7 25 100 A T T <45S+ 0 0 0 -3,-1.6 -2,-0.2 2,-0.3 -3,-0.2 0.736 120.1 2.9-111.6 -53.4 78.1 26.0 38.7 26 101 A L T <5S+ 0 0 0 -4,-2.4 31,-2.3 1,-0.2 2,-0.3 0.677 136.3 1.8-106.0 -28.6 74.9 28.1 38.6 27 102 A V E < -eF 23 56B 0 -5,-1.7 -3,-2.8 29,-0.2 2,-0.3 -0.864 57.5-134.6-146.7 179.0 72.4 25.4 39.6 28 103 A H E - F 0 55B 35 27,-1.8 27,-2.5 -2,-0.3 2,-0.3 -0.940 25.2-170.3-144.2 120.2 72.0 21.8 40.7 29 104 A S E + F 0 54B 21 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.751 6.7 174.0-113.2 159.9 69.4 19.6 39.2 30 105 A S E - F 0 53B 24 23,-1.5 23,-2.7 -2,-0.3 4,-0.1 -0.993 36.4-137.2-160.0 157.1 68.1 16.1 40.1 31 106 A F S S+ 0 0 116 -2,-0.3 20,-0.2 21,-0.2 -1,-0.1 0.711 85.9 83.9 -89.1 -23.5 65.4 13.5 39.2 32 107 A K S S- 0 0 142 1,-0.1 21,-0.1 21,-0.1 -2,-0.0 -0.679 97.7 -96.0 -84.3 131.1 64.7 12.7 42.8 33 108 A P - 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.081 42.0-168.0 -45.2 134.5 62.2 15.1 44.5 34 109 A V > - 0 0 44 -4,-0.1 3,-0.9 -3,-0.1 2,-0.2 -0.994 21.8-118.8-129.7 135.4 63.8 17.9 46.5 35 110 A N T 3 S+ 0 0 142 -2,-0.4 18,-0.0 1,-0.2 0, 0.0 -0.529 94.1 13.9 -76.4 139.2 61.9 20.2 48.9 36 111 A N T 3 S+ 0 0 154 -2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.771 82.4 174.0 69.6 30.9 62.0 23.9 48.0 37 112 A A < - 0 0 23 -3,-0.9 18,-0.2 1,-0.1 -1,-0.2 -0.295 29.7-144.1 -64.1 153.3 63.2 23.5 44.5 38 113 A D S S+ 0 0 77 16,-2.3 2,-0.4 1,-0.3 17,-0.2 0.835 83.8 22.1 -87.9 -38.6 63.3 26.7 42.4 39 114 A F E -G 54 0B 24 15,-2.3 15,-3.8 2,-0.0 2,-0.3 -0.981 57.3-176.4-130.7 142.1 62.3 25.1 39.1 40 115 A I E +G 53 0B 95 -2,-0.4 13,-0.2 13,-0.2 11,-0.0 -0.825 26.2 167.8-139.7 94.0 60.5 21.8 38.5 41 116 A I E -G 52 0B 22 11,-1.9 11,-3.2 -2,-0.3 2,-0.4 -0.741 35.4-111.0-114.2 159.1 60.3 21.3 34.7 42 117 A P E -G 51 0B 95 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.697 30.0-178.1 -89.3 135.3 59.4 18.4 32.3 43 118 A V E -G 50 0B 7 7,-2.4 7,-2.4 -2,-0.4 2,-0.4 -0.991 21.3-134.7-135.3 125.0 62.2 16.8 30.3 44 119 A E E +G 49 0B 119 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.663 25.0 176.7 -83.8 128.7 61.5 14.0 27.7 45 120 A I E > S-G 48 0B 47 3,-2.4 3,-1.3 -2,-0.4 -2,-0.0 -0.947 71.7 -20.2-135.8 112.4 63.8 11.1 27.8 46 121 A D T 3 S- 0 0 163 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.835 128.7 -50.5 60.1 34.2 63.3 8.1 25.5 47 122 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.496 117.4 108.3 85.5 3.2 59.6 9.1 25.1 48 123 A V E < - G 0 45B 80 -3,-1.3 -3,-2.4 -5,-0.0 2,-0.6 -0.960 64.9-132.6-119.2 130.6 58.9 9.5 28.8 49 124 A V E - G 0 44B 97 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.687 26.8-173.8 -83.7 119.6 58.3 12.8 30.5 50 125 A H E - G 0 43B 68 -7,-2.4 -7,-2.4 -2,-0.6 2,-0.5 -0.849 24.5-122.3-113.1 148.4 60.3 13.2 33.8 51 126 A Q E - G 0 42B 120 -2,-0.3 2,-0.5 -9,-0.2 -11,-0.0 -0.770 24.3-156.8 -89.8 131.2 60.1 16.0 36.3 52 127 A V E - G 0 41B 7 -11,-3.2 -11,-1.9 -2,-0.5 2,-0.7 -0.952 4.6-148.5-112.7 119.9 63.5 17.7 36.9 53 128 A Y E -FG 30 40B 32 -23,-2.7 -23,-1.5 -2,-0.5 2,-0.5 -0.788 16.3-166.7 -91.1 116.5 64.0 19.5 40.2 54 129 A V E -FG 29 39B 0 -15,-3.8 -15,-2.3 -2,-0.7 -16,-2.3 -0.890 7.5-164.5-110.1 129.5 66.3 22.5 39.8 55 130 A L E -F 28 0B 18 -27,-2.5 -27,-1.8 -2,-0.5 2,-0.3 -0.937 17.6-135.1-111.0 130.3 67.8 24.4 42.8 56 131 A K E -F 27 0B 30 -2,-0.5 -29,-0.2 -29,-0.2 3,-0.1 -0.645 22.3-116.3 -85.2 140.0 69.4 27.8 42.1 57 132 A R > - 0 0 3 -31,-2.3 3,-1.7 -2,-0.3 4,-0.2 -0.508 44.4 -89.7 -74.4 139.3 72.8 28.6 43.7 58 133 A P T 3 S+ 0 0 17 0, 0.0 101,-0.4 0, 0.0 102,-0.3 -0.213 111.1 12.2 -50.8 135.5 72.7 31.5 46.2 59 134 A H T 3> S+ 0 0 82 100,-0.1 4,-2.3 -3,-0.1 5,-0.1 0.627 82.4 132.0 71.2 18.5 73.3 34.9 44.6 60 135 A V H <> S+ 0 0 3 -3,-1.7 4,-2.9 2,-0.2 5,-0.3 0.877 70.9 53.0 -69.4 -32.3 72.9 33.6 41.1 61 136 A D H > S+ 0 0 61 -4,-0.2 4,-2.2 2,-0.2 5,-0.2 0.950 112.8 42.7 -65.5 -48.8 70.5 36.5 40.2 62 137 A E H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 115.9 52.3 -62.1 -40.8 72.9 39.1 41.4 63 138 A F H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.958 111.5 42.4 -59.3 -57.7 75.7 37.2 39.7 64 139 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.861 113.1 52.3 -60.4 -41.4 74.2 36.9 36.3 65 140 A Q H X S+ 0 0 89 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.942 115.6 41.5 -62.3 -45.7 72.9 40.5 36.2 66 141 A R H >X S+ 0 0 79 -4,-2.1 4,-1.9 -5,-0.2 3,-0.7 0.929 114.6 49.5 -67.9 -47.1 76.3 41.9 37.1 67 142 A M H 3X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.3 -1,-0.2 0.904 106.5 57.8 -59.1 -41.0 78.3 39.5 34.8 68 143 A G H 3< S+ 0 0 12 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.795 108.3 46.7 -59.9 -29.1 75.9 40.4 31.9 69 144 A E H << S+ 0 0 107 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.842 117.7 41.6 -81.0 -36.4 76.9 44.1 32.4 70 145 A L H < S+ 0 0 28 -4,-1.9 -54,-0.3 -55,-0.0 2,-0.2 0.879 117.6 22.4 -80.8 -40.7 80.6 43.4 32.5 71 146 A F S < S- 0 0 0 -4,-3.0 2,-1.5 -5,-0.2 -54,-0.2 -0.727 78.3 -98.8-128.7 174.3 81.2 40.8 29.8 72 147 A E E -a 17 0A 12 -56,-2.7 -54,-1.4 -2,-0.2 2,-0.2 -0.761 57.0-155.8 -88.1 90.3 80.1 39.1 26.6 73 148 A C E -ac 18 97A 1 -2,-1.5 25,-3.2 23,-0.7 26,-0.7 -0.491 16.9-174.8 -77.8 140.5 78.6 36.2 28.5 74 149 A V E -ac 19 99A 0 -56,-2.7 -54,-3.2 23,-0.2 2,-0.5 -0.988 20.7-138.9-137.7 124.9 78.1 32.8 26.9 75 150 A L E +ac 20 100A 0 24,-2.2 26,-3.4 -2,-0.4 2,-0.4 -0.709 26.5 176.5 -81.7 125.4 76.3 29.8 28.4 76 151 A F E + c 0 101A 0 -56,-2.3 2,-0.3 -2,-0.5 -54,-0.2 -0.905 7.5 165.5-135.0 105.6 78.4 26.7 27.5 77 152 A T - 0 0 0 24,-2.6 28,-0.2 -2,-0.4 29,-0.1 -0.848 41.3-140.9-121.0 156.7 77.1 23.4 28.9 78 153 A A S S+ 0 0 18 -2,-0.3 24,-0.1 24,-0.1 2,-0.1 0.426 79.4 92.4 -91.8 -1.4 77.8 19.7 28.2 79 154 A S S S- 0 0 14 1,-0.1 24,-2.2 24,-0.1 2,-0.2 -0.366 86.7 -88.7 -88.1 171.5 74.1 18.9 28.8 80 155 A L >> - 0 0 66 22,-0.2 4,-2.4 23,-0.1 3,-1.6 -0.511 27.7-124.2 -81.9 148.1 71.3 18.7 26.1 81 156 A A H 3> S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.821 104.7 72.8 -59.5 -34.7 69.3 21.8 25.1 82 157 A K H 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.2 -38,-0.1 0.741 116.0 25.1 -54.8 -20.1 66.0 20.1 26.0 83 158 A Y H <> S+ 0 0 22 -3,-1.6 4,-1.5 -40,-0.1 -2,-0.2 0.802 125.1 45.9-106.6 -56.2 67.0 20.6 29.6 84 159 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.851 106.0 59.8 -59.9 -40.2 69.5 23.6 29.6 85 160 A D H X S+ 0 0 57 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.950 107.1 43.9 -56.6 -54.7 67.4 25.9 27.4 86 161 A P H > S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.884 115.4 50.2 -59.3 -38.1 64.3 26.0 29.7 87 162 A V H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.916 110.5 48.8 -66.5 -41.9 66.6 26.4 32.7 88 163 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.867 107.6 56.4 -64.4 -36.3 68.5 29.3 31.0 89 164 A D H < S+ 0 0 99 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.890 111.6 42.4 -62.0 -39.8 65.1 30.8 30.1 90 165 A L H < S+ 0 0 69 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.782 119.2 45.6 -76.8 -29.1 64.2 30.9 33.8 91 166 A L H < S+ 0 0 1 -4,-1.9 2,-1.2 1,-0.2 -2,-0.2 0.965 98.9 65.8 -78.8 -58.1 67.6 32.0 34.9 92 167 A D < + 0 0 20 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 -0.554 46.6 153.6 -76.0 95.5 68.6 34.9 32.5 93 168 A K S S+ 0 0 128 -2,-1.2 -1,-0.2 1,-0.2 -4,-0.0 0.333 75.5 50.4 -99.9 4.7 66.1 37.7 33.2 94 169 A W S S- 0 0 92 -3,-0.1 -1,-0.2 -30,-0.0 -2,-0.1 0.302 109.4-112.5-124.4 6.8 68.6 40.3 31.9 95 170 A G + 0 0 49 -3,-0.2 -2,-0.1 1,-0.1 -3,-0.0 0.891 63.9 151.7 61.4 37.1 69.7 38.9 28.6 96 171 A A + 0 0 2 1,-0.1 2,-0.7 -24,-0.1 -23,-0.7 0.878 49.3 78.9 -66.6 -39.0 73.1 38.3 30.1 97 172 A F E -c 73 0A 18 1,-0.2 -23,-0.2 -9,-0.1 3,-0.1 -0.634 56.6-174.4 -77.4 111.2 73.8 35.4 27.8 98 173 A R E S+ 0 0 74 -25,-3.2 2,-0.3 -2,-0.7 -24,-0.2 0.754 76.3 2.2 -73.8 -25.6 74.8 36.6 24.3 99 174 A A E -c 74 0A 23 -26,-0.7 -24,-2.2 -3,-0.1 2,-0.4 -0.986 65.3-137.4-157.5 157.9 74.7 33.0 23.1 100 175 A R E -c 75 0A 73 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.988 17.4-173.5-126.7 125.7 73.9 29.5 24.4 101 176 A L E -c 76 0A 13 -26,-3.4 -24,-2.6 -2,-0.4 2,-0.1 -0.961 8.9-176.1-120.3 134.0 76.1 26.5 23.5 102 177 A F > - 0 0 22 -2,-0.4 3,-2.0 -26,-0.2 4,-0.5 -0.357 46.4 -56.6-115.9-165.5 75.2 22.9 24.4 103 178 A R G > S+ 0 0 78 -24,-2.2 3,-1.9 1,-0.3 -23,-0.1 0.821 124.4 57.3 -39.7 -52.4 76.5 19.3 24.3 104 179 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -25,-0.1 -26,-0.1 0.708 100.0 59.9 -58.5 -23.9 77.1 19.2 20.5 105 180 A S G < S+ 0 0 32 -3,-2.0 11,-0.3 -28,-0.2 -1,-0.3 0.588 90.3 86.7 -82.0 -11.5 79.4 22.2 20.6 106 181 A C S < S- 0 0 15 -3,-1.9 2,-0.6 -4,-0.5 9,-0.2 -0.467 80.8-124.2 -82.7 160.1 81.8 20.4 23.0 107 182 A V E -H 114 0C 64 7,-2.7 7,-2.4 -2,-0.1 2,-2.0 -0.937 15.6-132.8-108.7 121.5 84.5 18.2 21.6 108 183 A F E +H 113 0C 129 -2,-0.6 2,-0.6 5,-0.2 3,-0.3 -0.527 39.9 174.1 -74.9 85.2 84.5 14.6 22.9 109 184 A H E > -H 112 0C 66 -2,-2.0 3,-1.6 3,-1.7 -2,-0.1 -0.855 61.4 -24.0-104.3 118.9 88.2 14.4 23.7 110 185 A R T 3 S- 0 0 212 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.911 128.4 -45.8 47.8 52.9 89.6 11.4 25.5 111 186 A G T 3 S+ 0 0 53 -3,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.427 120.0 97.2 77.1 1.5 86.3 10.4 27.0 112 187 A N E < S-H 109 0C 83 -3,-1.6 -3,-1.7 -5,-0.1 2,-1.2 -0.909 76.8-117.8-125.3 150.9 85.3 13.9 28.2 113 188 A Y E -H 108 0C 90 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.721 43.6-168.3 -85.0 97.6 83.1 16.7 26.9 114 189 A V E -H 107 0C 1 -7,-2.4 -7,-2.7 -2,-1.2 2,-0.9 -0.663 21.5-140.6 -93.0 143.4 85.7 19.5 26.5 115 190 A K - 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0 0 1 -2,-0.7 16,-0.5 14,-0.3 6,-0.1 -0.997 49.2-143.8-144.3 133.6 83.4 25.8 35.1 132 207 A N S S+ 0 0 22 -2,-0.4 17,-0.2 -109,-0.3 3,-0.1 0.589 90.1 71.7 -72.8 -8.9 83.4 23.6 38.2 133 208 A S > - 0 0 47 1,-0.1 3,-2.2 15,-0.1 4,-0.5 -0.883 62.7-165.0-113.6 104.3 85.2 20.8 36.2 134 209 A P G > S+ 0 0 82 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.735 88.7 71.2 -56.1 -21.7 88.8 21.4 35.2 135 210 A A G > S+ 0 0 41 1,-0.2 3,-1.1 2,-0.1 -20,-0.1 0.824 87.4 65.5 -63.8 -30.5 88.4 18.6 32.7 136 211 A S G < S+ 0 0 11 -3,-2.2 -21,-3.0 1,-0.3 -1,-0.2 0.795 108.2 36.9 -61.6 -32.7 86.2 20.9 30.7 137 212 A Y G X + 0 0 23 -3,-0.8 3,-1.1 -4,-0.5 -1,-0.3 -0.184 69.3 137.4-117.2 43.8 89.1 23.3 29.9 138 213 A V T < S+ 0 0 73 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.782 77.3 49.3 -58.6 -29.6 92.0 20.9 29.5 139 214 A F T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.685 119.7 36.9 -83.3 -18.5 93.3 22.9 26.5 140 215 A H X + 0 0 17 -3,-1.1 3,-2.0 -25,-0.1 4,-0.3 -0.364 60.8 152.6-133.3 57.8 93.0 26.3 28.3 141 216 A P G > S+ 0 0 76 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.750 76.8 56.1 -57.8 -24.5 94.0 25.9 32.0 142 217 A D G 3 S+ 0 0 43 1,-0.2 37,-0.2 -3,-0.1 39,-0.2 0.365 98.6 59.0 -93.2 7.0 95.2 29.5 32.1 143 218 A N G < S+ 0 0 0 -3,-2.0 -14,-2.0 -6,-0.2 2,-0.3 0.308 86.9 107.3-110.2 2.1 91.8 31.0 31.0 144 219 A A B < -d 129 0A 6 -3,-0.6 -14,-0.2 -4,-0.3 -16,-0.0 -0.613 55.9-156.3 -92.0 143.4 89.9 29.5 33.9 145 220 A V - 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0 0 32 -3,-1.2 3,-0.2 -4,-0.3 -3,-0.0 -0.486 68.7-136.9 -90.3 161.7 93.1 44.3 32.7 173 248 A D S S+ 0 0 145 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.833 93.1 23.7 -83.7 -34.8 94.4 44.2 29.1 174 249 A D >> - 0 0 46 1,-0.1 3,-1.3 -48,-0.1 4,-0.5 -0.978 62.5-152.5-137.4 121.0 95.3 40.4 29.2 175 250 A V H >> S+ 0 0 0 -50,-2.0 4,-3.4 -2,-0.4 3,-0.7 0.737 95.4 67.5 -63.0 -24.4 93.8 37.8 31.5 176 251 A Y H 3> S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.805 87.7 65.5 -66.1 -29.7 97.0 35.8 31.3 177 252 A S H <4 S+ 0 0 89 -3,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.836 116.6 29.3 -61.8 -29.3 98.8 38.5 33.2 178 253 A V H << S+ 0 0 46 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.893 128.5 38.3 -92.8 -53.6 96.5 37.6 36.1 179 254 A L H < S- 0 0 30 -4,-3.4 -3,-0.2 -37,-0.2 -2,-0.2 0.644 114.8-121.6 -72.9 -16.4 95.9 33.9 35.5 180 255 A R < 0 0 213 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.874 360.0 360.0 78.9 57.6 99.5 33.6 34.4 181 256 A Q 0 0 120 -5,-0.4 -4,-0.1 -39,-0.2 -5,-0.1 -0.102 360.0 360.0-149.8 360.0 100.5 32.3 30.9