==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 29-APR-02 1LLM . COMPND 2 MOLECULE: 5'-D(*TP*CP*CP*CP*AP*CP*GP*CP*GP*TP*GP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.A.WOLFE,R.A.GRANT,C.O.PABO . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 70.9 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 . 12 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.3 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 . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 101 C M 0 0 203 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.6 -8.9 38.0 62.6 2 102 C K + 0 0 127 1,-0.1 12,-0.2 12,-0.0 11,-0.1 -0.709 360.0 161.6-128.7 80.2 -6.4 40.9 62.0 3 103 C P + 0 0 60 0, 0.0 2,-0.7 0, 0.0 11,-0.2 0.504 47.7 84.1 -81.2 -0.8 -4.9 41.7 65.3 4 104 C F E -A 13 0A 72 9,-2.1 9,-1.8 2,-0.0 2,-0.3 -0.875 60.6-165.6-114.8 111.5 -1.8 43.6 64.3 5 105 C Q E -A 12 0A 65 -2,-0.7 2,-0.5 7,-0.2 7,-0.2 -0.692 18.7-135.8-102.2 135.9 -2.2 47.3 63.5 6 106 C C > - 0 0 1 5,-2.7 4,-1.8 -2,-0.3 5,-0.1 -0.739 12.2-151.9 -83.5 128.0 0.1 49.7 61.7 7 107 C R T 4 S+ 0 0 186 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.483 90.2 57.8 -81.1 -5.2 0.2 53.0 63.7 8 108 C I T 4 S+ 0 0 118 3,-0.1 -1,-0.1 0, 0.0 15,-0.0 0.915 128.8 7.0 -85.2 -54.2 0.9 55.1 60.6 9 109 C C T 4 S- 0 0 64 2,-0.1 -2,-0.2 0, 0.0 -4,-0.0 0.584 93.0-126.7-106.0 -10.4 -2.1 54.1 58.4 10 110 C M < + 0 0 81 -4,-1.8 2,-0.1 1,-0.3 -3,-0.1 0.525 54.7 151.3 73.6 12.8 -4.1 52.2 60.9 11 111 C R - 0 0 151 -6,-0.1 -5,-2.7 -5,-0.1 2,-0.3 -0.467 37.3-138.1 -73.1 143.0 -4.5 49.1 58.6 12 112 C N E -A 5 0A 66 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.779 15.8-159.8-102.6 151.1 -4.8 45.8 60.5 13 113 C F E -A 4 0A 27 -9,-1.8 -9,-2.1 -2,-0.3 6,-0.1 -0.960 26.3-133.4-133.7 152.2 -3.0 42.6 59.5 14 114 C S S S+ 0 0 69 -2,-0.3 2,-0.4 -12,-0.2 -1,-0.1 0.667 93.4 45.7 -74.0 -18.2 -3.6 38.9 60.2 15 115 C R > - 0 0 136 -11,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.988 66.7-144.1-136.3 137.0 0.2 38.4 61.0 16 116 C S H > S+ 0 0 65 -2,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.845 104.5 52.3 -64.4 -34.8 2.7 40.2 63.0 17 117 C D H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 109.3 51.5 -70.5 -30.6 5.6 39.6 60.6 18 118 C H H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.812 107.0 53.2 -73.5 -29.7 3.5 40.9 57.8 19 119 C L H X S+ 0 0 25 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.931 108.1 52.2 -68.1 -45.1 2.8 44.0 59.8 20 120 C T H X S+ 0 0 73 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.929 113.0 41.3 -58.0 -48.2 6.6 44.5 60.2 21 121 C T H >< S+ 0 0 34 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.916 111.5 57.3 -68.2 -37.5 7.3 44.3 56.5 22 122 C H H >< S+ 0 0 31 -4,-2.2 3,-2.2 1,-0.3 4,-0.5 0.880 98.2 61.2 -56.2 -41.8 4.3 46.5 55.7 23 123 C I H >X S+ 0 0 57 -4,-2.2 4,-2.1 1,-0.3 3,-1.4 0.803 91.4 67.6 -57.8 -28.6 5.7 49.2 57.9 24 124 C R H - 0 0 3 5,-3.1 4,-2.2 -2,-0.4 14,-0.0 -0.633 18.3-146.1 -71.0 127.8 21.8 41.5 47.0 35 135 C D T 4 S+ 0 0 114 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.689 95.1 47.8 -68.6 -20.1 25.4 40.0 47.4 36 136 C I T 4 S+ 0 0 79 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.908 133.0 7.0 -90.4 -44.1 26.0 40.1 43.7 37 137 C C T 4 S- 0 0 72 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.535 90.0-123.1-117.7 -11.0 24.9 43.6 42.8 38 138 C G < + 0 0 42 -4,-2.2 -3,-0.1 1,-0.3 2,-0.0 0.441 52.5 154.2 86.0 -3.7 24.2 45.4 46.0 39 139 C R - 0 0 158 -6,-0.1 -5,-3.1 1,-0.1 2,-0.3 -0.398 37.4-134.4 -61.8 139.7 20.6 46.3 45.3 40 140 C K E -B 33 0B 100 -7,-0.3 2,-0.3 -2,-0.0 -7,-0.3 -0.772 21.4-170.6-100.7 144.5 18.6 46.6 48.6 41 141 C F E -B 32 0B 22 -9,-2.5 -9,-2.6 -2,-0.3 6,-0.1 -0.963 30.4-131.5-135.5 152.0 15.1 45.2 49.3 42 142 C A S S+ 0 0 20 -2,-0.3 2,-0.3 -12,-0.3 -1,-0.1 0.778 94.0 32.4 -70.6 -28.4 12.5 45.5 52.0 43 143 C R S > S- 0 0 86 -11,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.948 75.3-126.0-132.0 152.9 12.0 41.7 52.3 44 144 C S H > S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.855 110.2 54.8 -64.8 -36.5 14.3 38.7 51.9 45 145 C D H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.833 105.3 53.5 -67.5 -31.6 11.9 37.0 49.3 46 146 C E H > S+ 0 0 65 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.896 110.4 47.5 -67.1 -41.9 12.0 40.1 47.1 47 147 C R H X S+ 0 0 79 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.921 111.3 52.7 -63.3 -44.2 15.8 39.9 47.2 48 148 C K H X S+ 0 0 109 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.907 109.1 46.0 -58.1 -46.8 15.6 36.1 46.4 49 149 C R H X S+ 0 0 67 -4,-2.4 4,-1.8 2,-0.2 5,-0.4 0.931 115.1 49.2 -64.5 -43.5 13.4 36.5 43.3 50 150 C H H X S+ 0 0 34 -4,-1.9 4,-2.5 -5,-0.2 5,-0.4 0.961 117.1 39.6 -57.5 -52.9 15.6 39.3 42.1 51 151 C R H X>S+ 0 0 77 -4,-3.0 5,-2.6 3,-0.2 4,-1.7 0.902 112.0 56.4 -68.9 -40.4 18.9 37.3 42.6 52 152 C D H <>S+ 0 0 18 -4,-2.9 5,-2.7 -5,-0.2 -1,-0.2 0.927 122.4 23.5 -55.5 -50.4 17.5 34.0 41.4 53 153 C I H <5S+ 0 0 17 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.860 125.4 47.3 -91.0 -37.7 16.4 35.2 38.0 54 154 C Q H <5S+ 0 0 118 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.783 134.7 4.7 -77.1 -26.1 18.6 38.3 37.4 55 155 C H T X5S+ 0 0 30 -4,-1.7 4,-2.1 -5,-0.4 5,-0.2 0.739 126.5 46.5-122.1 -59.2 21.8 36.5 38.5 56 156 C I H > S+ 0 0 40 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.838 114.2 56.0 -64.7 -32.8 22.0 33.5 33.6 59 159 C I H X S+ 0 0 86 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.935 112.0 43.0 -63.7 -42.4 25.2 32.5 35.5 60 160 C L H X S+ 0 0 29 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.871 113.4 51.3 -71.9 -36.9 24.1 28.9 35.4 61 161 C E H X S+ 0 0 91 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.945 113.0 46.2 -62.9 -46.3 23.0 29.2 31.7 62 162 C D H X S+ 0 0 111 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.882 110.6 53.8 -62.6 -39.2 26.5 30.7 30.9 63 163 C K H X S+ 0 0 70 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.895 106.0 51.9 -63.5 -41.5 28.2 28.0 32.9 64 164 C V H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.955 112.1 46.1 -60.1 -47.6 26.4 25.2 30.9 65 165 C E H X S+ 0 0 124 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 112.4 51.4 -60.3 -44.0 27.6 26.8 27.6 66 166 C E H X S+ 0 0 88 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.894 111.5 46.0 -60.7 -43.5 31.1 27.2 29.0 67 167 C L H X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.868 108.4 55.3 -70.7 -34.9 31.4 23.6 30.1 68 168 C L H X S+ 0 0 73 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.952 112.6 44.7 -61.1 -42.0 30.0 22.3 26.8 69 169 C S H X S+ 0 0 53 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.925 113.4 48.1 -67.6 -45.5 32.7 24.2 25.1 70 170 C K H X S+ 0 0 79 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.915 112.0 51.3 -61.7 -42.8 35.5 23.1 27.5 71 171 C N H X S+ 0 0 8 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.877 108.3 51.3 -64.0 -35.1 34.4 19.6 27.2 72 172 C Y H X S+ 0 0 133 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.920 110.5 48.3 -67.3 -43.2 34.5 19.8 23.4 73 173 C H H X S+ 0 0 106 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.897 113.3 48.1 -63.5 -42.2 38.1 21.2 23.5 74 174 C L H X S+ 0 0 17 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.863 109.3 52.0 -65.9 -39.7 39.2 18.4 25.9 75 175 C E H X S+ 0 0 103 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.935 109.7 50.6 -63.5 -41.6 37.5 15.8 23.8 76 176 C N H X S+ 0 0 46 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.928 113.3 45.0 -60.7 -45.8 39.4 17.1 20.7 77 177 C E H X S+ 0 0 72 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.878 111.2 52.4 -64.4 -41.6 42.7 17.1 22.6 78 178 C V H X S+ 0 0 9 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.912 109.4 51.1 -60.9 -42.9 42.0 13.6 24.0 79 179 C A H X S+ 0 0 46 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.932 112.2 46.0 -61.9 -43.6 41.3 12.3 20.5 80 180 C R H >X S+ 0 0 169 -4,-2.1 4,-1.9 1,-0.2 3,-0.9 0.967 113.3 48.9 -61.6 -54.5 44.6 13.8 19.2 81 181 C L H 3X S+ 0 0 18 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.811 104.2 61.6 -54.8 -36.2 46.7 12.5 22.2 82 182 C K H 3< S+ 0 0 69 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.3 0.883 106.7 43.9 -61.8 -37.2 45.2 9.1 21.7 83 183 C K H X< S+ 0 0 174 -4,-1.3 3,-1.0 -3,-0.9 -2,-0.2 0.920 107.4 57.2 -77.2 -36.9 46.6 8.8 18.2 84 184 C L H 3< S+ 0 0 138 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 119.6 34.0 -60.3 -30.7 50.0 10.1 19.2 85 185 C V T 3< S- 0 0 42 -4,-1.5 2,-0.7 -5,-0.2 -1,-0.3 0.324 117.2-109.3-108.3 4.7 50.2 7.3 21.7 86 186 C G < 0 0 51 -3,-1.0 -1,-0.1 -4,-0.3 -4,-0.1 -0.781 360.0 360.0 119.3 -95.3 48.3 4.6 19.8 87 187 C E 0 0 133 -2,-0.7 -4,-0.2 -3,-0.1 -5,-0.1 0.331 360.0 360.0 10.2 360.0 44.8 3.6 21.1 88 !* 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 89 201 D M 0 0 192 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.8 -3.6 59.2 34.2 90 202 D K + 0 0 104 1,-0.1 12,-0.3 12,-0.0 11,-0.2 -0.582 360.0 152.9-121.5 74.5 -6.1 56.4 34.5 91 203 D P + 0 0 101 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.531 48.9 83.5 -80.8 -4.1 -8.2 56.5 31.3 92 204 D F E -C 101 0C 73 9,-2.7 9,-2.9 2,-0.0 2,-0.4 -0.771 60.7-162.1-101.0 140.8 -9.2 52.8 31.3 93 205 D Q E -C 100 0C 71 -2,-0.3 2,-0.5 7,-0.3 7,-0.2 -0.990 17.5-136.3-129.6 132.1 -12.2 51.4 33.2 94 206 D C > - 0 0 1 5,-2.9 4,-1.7 -2,-0.4 5,-0.0 -0.715 13.9-154.4 -79.1 123.5 -13.1 47.9 34.3 95 207 D R T 4 S+ 0 0 192 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.522 87.7 57.1 -80.4 -0.9 -16.8 47.6 33.6 96 208 D I T 4 S+ 0 0 105 3,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.909 128.1 8.8 -90.7 -52.5 -17.2 44.8 36.3 97 209 D C T 4 S- 0 0 61 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.454 94.3-124.2-109.3 -1.5 -15.8 46.6 39.4 98 210 D M < + 0 0 81 -4,-1.7 -3,-0.1 1,-0.2 2,-0.1 0.455 55.9 151.7 72.5 6.0 -15.5 50.2 38.0 99 211 D R - 0 0 148 -6,-0.1 -5,-2.9 1,-0.1 2,-0.3 -0.374 39.0-134.1 -67.6 142.0 -11.8 50.4 38.9 100 212 D N E -C 93 0C 69 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.3 -0.783 20.3-164.1-100.8 148.7 -9.7 52.8 36.6 101 213 D F E -C 92 0C 25 -9,-2.9 -9,-2.7 -2,-0.3 3,-0.0 -0.939 28.1-136.6-133.6 152.1 -6.4 51.9 35.1 102 214 D S S S+ 0 0 56 -2,-0.3 2,-0.3 -12,-0.3 -1,-0.1 0.792 89.2 40.5 -74.1 -29.1 -3.5 53.7 33.5 103 215 D R > - 0 0 121 1,-0.1 4,-1.8 -13,-0.1 5,-0.1 -0.932 66.1-137.2-130.8 148.9 -3.1 51.1 30.7 104 216 D S H > S+ 0 0 66 -2,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.850 106.9 51.4 -66.5 -37.5 -5.2 48.9 28.4 105 217 D D H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.907 110.2 49.5 -69.7 -36.9 -3.0 45.8 28.9 106 218 D H H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.842 109.6 51.2 -70.3 -34.0 -3.2 46.1 32.7 107 219 D L H X S+ 0 0 24 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.940 109.9 52.3 -64.7 -45.0 -7.0 46.5 32.4 108 220 D T H X S+ 0 0 73 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.927 113.1 40.8 -57.6 -50.1 -7.0 43.3 30.3 109 221 D T H X S+ 0 0 30 -4,-2.4 4,-0.5 1,-0.2 3,-0.5 0.893 112.1 57.3 -70.3 -33.6 -5.1 41.2 32.8 110 222 D H H >X S+ 0 0 30 -4,-2.1 3,-2.1 1,-0.2 4,-0.5 0.925 99.7 58.7 -58.6 -44.0 -7.0 42.7 35.7 111 223 D I H >X S+ 0 0 59 -4,-2.5 3,-1.7 1,-0.3 4,-1.7 0.846 94.1 66.3 -56.6 -32.0 -10.3 41.5 34.1 112 224 D R H 3X S+ 0 0 44 -4,-1.0 4,-2.1 -3,-0.5 5,-0.4 0.746 89.4 65.4 -61.2 -23.4 -8.9 38.0 34.3 113 225 D T H << S+ 0 0 101 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.780 107.0 42.2 -68.8 -27.8 -9.1 38.2 38.1 114 226 D H H << S+ 0 0 74 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.828 120.8 39.7 -84.3 -38.7 -12.9 38.5 37.7 115 227 D T H < S- 0 0 85 -4,-1.7 -2,-0.2 2,-0.1 -3,-0.2 0.639 98.1-129.0 -87.6 -17.3 -13.3 35.8 35.1 116 228 D G < + 0 0 51 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.543 47.8 162.6 80.7 4.5 -10.8 33.3 36.4 117 229 D E + 0 0 104 -5,-0.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.411 15.7 179.5 -63.8 127.7 -9.1 33.0 32.9 118 230 D K + 0 0 111 -2,-0.2 12,-0.2 1,-0.1 11,-0.2 -0.709 7.2 170.2-131.2 83.7 -5.6 31.4 33.1 119 231 D P + 0 0 50 0, 0.0 2,-0.7 0, 0.0 11,-0.2 0.678 55.2 80.2 -67.1 -23.2 -4.2 31.2 29.6 120 232 D F E -D 129 0D 51 9,-2.3 9,-2.3 2,-0.0 2,-0.4 -0.798 56.2-174.3-100.5 111.4 -0.6 30.3 30.6 121 233 D A E -D 128 0D 35 -2,-0.7 2,-0.5 7,-0.2 7,-0.2 -0.796 29.5-120.8-102.9 137.3 0.2 26.7 31.5 122 234 D C > - 0 0 1 5,-2.7 4,-2.3 -2,-0.4 14,-0.0 -0.665 19.3-145.5 -71.8 123.8 3.6 25.6 32.8 123 235 D D T 4 S+ 0 0 119 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.632 93.3 51.3 -69.4 -12.8 4.9 23.1 30.3 124 236 D I T 4 S+ 0 0 80 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.917 130.6 6.8 -91.1 -50.4 6.7 21.2 33.0 125 237 D C T 4 S- 0 0 73 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.533 92.5-123.1-111.6 -6.2 4.0 20.6 35.6 126 238 D G < + 0 0 42 -4,-2.3 -3,-0.1 1,-0.2 0, 0.0 0.383 52.8 155.1 83.5 -4.9 0.9 21.9 33.8 127 239 D R - 0 0 155 -6,-0.1 -5,-2.7 1,-0.1 2,-0.3 -0.280 37.2-131.6 -58.2 139.1 -0.1 24.5 36.5 128 240 D K E -D 121 0D 97 -7,-0.2 2,-0.3 2,-0.0 -7,-0.2 -0.752 22.6-171.3 -98.2 147.9 -2.1 27.4 34.9 129 241 D F E -D 120 0D 23 -9,-2.3 -9,-2.3 -2,-0.3 6,-0.0 -0.953 30.8-133.3-136.1 151.5 -1.5 31.2 35.4 130 242 D A S S+ 0 0 19 -2,-0.3 2,-0.3 -12,-0.2 -1,-0.1 0.790 93.3 32.5 -72.4 -28.3 -3.4 34.3 34.5 131 243 D R S > S- 0 0 96 -11,-0.1 4,-1.7 1,-0.1 3,-0.1 -0.936 73.8-127.0-132.8 154.6 -0.2 36.0 33.1 132 244 D S H > S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 -1,-0.1 0.869 110.7 55.1 -66.6 -38.1 3.0 34.9 31.3 133 245 D D H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.822 106.3 52.4 -66.1 -31.8 5.2 36.6 33.9 134 246 D E H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 111.1 47.2 -67.4 -42.7 3.5 34.6 36.7 135 247 D R H X S+ 0 0 77 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.909 111.4 52.7 -63.0 -42.2 4.2 31.4 34.7 136 248 D K H X S+ 0 0 103 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.918 107.1 48.5 -60.5 -50.5 7.8 32.5 34.2 137 249 D R H X S+ 0 0 139 -4,-2.4 4,-1.6 1,-0.2 5,-0.4 0.915 116.0 47.1 -58.8 -39.0 8.7 33.2 37.9 138 250 D H H X S+ 0 0 31 -4,-1.8 4,-2.6 -5,-0.2 5,-0.5 0.962 117.3 39.8 -64.2 -56.2 7.2 29.8 38.8 139 251 D R H X>S+ 0 0 73 -4,-2.9 5,-2.6 3,-0.2 4,-2.0 0.920 113.4 53.9 -61.8 -46.1 8.9 27.8 36.0 140 252 D D H <>S+ 0 0 14 -4,-3.0 5,-2.2 -5,-0.2 -1,-0.2 0.931 122.2 27.2 -55.2 -50.9 12.3 29.6 36.3 141 253 D I H <5S+ 0 0 21 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.924 125.1 44.3 -84.1 -42.3 12.7 29.0 40.0 142 254 D Q H <5S+ 0 0 119 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.826 135.2 6.2 -75.1 -30.9 10.7 25.8 40.6 143 255 D H T X5S+ 0 0 33 -4,-2.0 4,-1.6 -5,-0.5 -3,-0.2 0.803 123.6 51.7-118.1 -49.2 11.9 23.9 37.5 144 256 D I H > S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.903 113.3 51.3 -60.0 -39.0 17.2 22.9 39.7 147 259 D I H X S+ 0 0 86 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.938 110.3 47.5 -61.6 -46.5 17.6 21.6 36.1 148 260 D L H X S+ 0 0 22 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.898 109.3 54.1 -62.9 -42.4 20.5 23.9 35.4 149 261 D E H X S+ 0 0 111 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.921 110.2 47.2 -57.3 -45.3 22.3 22.9 38.6 150 262 D D H X S+ 0 0 96 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.877 111.7 50.9 -62.2 -40.5 22.0 19.2 37.6 151 263 D K H X S+ 0 0 73 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.925 110.4 48.0 -65.1 -45.0 23.3 20.0 34.2 152 264 D V H X S+ 0 0 17 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.926 111.5 51.3 -62.0 -43.5 26.3 21.8 35.5 153 265 D E H X S+ 0 0 131 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.937 112.2 46.9 -58.1 -47.3 27.0 18.9 37.9 154 266 D E H X S+ 0 0 82 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.941 114.5 45.3 -59.4 -51.8 26.8 16.5 35.1 155 267 D L H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.837 110.5 54.5 -63.6 -35.6 29.1 18.5 32.8 156 268 D L H X S+ 0 0 84 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.816 108.0 51.1 -65.4 -34.3 31.6 19.2 35.6 157 269 D S H X S+ 0 0 63 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.940 111.2 45.5 -68.9 -47.6 31.7 15.5 36.1 158 270 D K H X S+ 0 0 95 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.897 113.3 52.4 -61.0 -40.1 32.5 14.8 32.3 159 271 D N H >X S+ 0 0 13 -4,-2.5 4,-3.2 1,-0.2 3,-1.4 0.956 106.5 51.5 -59.9 -54.3 35.0 17.7 32.4 160 272 D Y H 3< S+ 0 0 163 -4,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.832 110.8 49.1 -54.2 -33.6 36.8 16.1 35.4 161 273 D H H 3< S+ 0 0 128 -4,-1.7 4,-0.3 2,-0.2 -1,-0.3 0.612 113.8 46.3 -78.2 -21.8 37.0 12.8 33.6 162 274 D L H XX S+ 0 0 27 -3,-1.4 4,-1.9 -4,-0.8 3,-0.9 0.826 104.7 56.7 -88.1 -40.8 38.4 14.5 30.4 163 275 D E H 3X S+ 0 0 99 -4,-3.2 4,-1.4 1,-0.3 -2,-0.2 0.735 112.0 50.8 -62.4 -11.5 40.9 16.7 32.2 164 276 D N H 3> S+ 0 0 81 -4,-0.4 4,-0.7 -5,-0.3 -1,-0.3 0.608 102.9 52.5 -95.4 -31.9 42.0 13.1 33.4 165 277 D E H <> S+ 0 0 66 -3,-0.9 4,-2.2 -4,-0.3 -2,-0.2 0.804 114.5 48.6 -76.5 -22.6 42.2 11.4 30.1 166 278 D V H X S+ 0 0 11 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.933 108.2 47.0 -79.4 -51.1 44.5 14.4 29.1 167 279 D A H < S+ 0 0 73 -4,-1.4 -1,-0.2 1,-0.2 -3,-0.1 0.860 119.7 48.2 -60.6 -27.6 47.0 14.5 32.0 168 280 D R H >X S+ 0 0 69 -4,-0.7 4,-1.8 2,-0.2 3,-1.5 0.913 108.6 46.0 -77.3 -53.1 47.2 10.8 31.5 169 281 D L H 3X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.907 108.9 58.8 -61.7 -35.7 47.7 10.5 27.7 170 282 D K H 3< S+ 0 0 118 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.538 103.5 53.5 -67.2 -11.2 50.3 13.2 28.0 171 283 D K H <4 S+ 0 0 127 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.859 105.7 50.7 -87.0 -46.5 52.1 10.9 30.4 172 284 D L H < 0 0 88 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.941 360.0 360.0 -52.5 -43.3 52.0 8.1 27.9 173 285 D V < 0 0 97 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.743 360.0 360.0 -63.4 360.0 53.5 10.6 25.5