==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 06-AUG-06 2HYG . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR MNTR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.GLASFELD,J.I.KLIEGMAN . 133 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 75.9 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 . 4 3.0 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 . 1 0.8 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 . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 0 0 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 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 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 . 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 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 3 D T > 0 0 104 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 143.8 -30.1 82.7 43.5 2 4 D P H > + 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.803 360.0 55.8 -52.5 -37.0 -28.0 79.5 43.0 3 5 D S H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.982 110.3 43.3 -56.9 -59.6 -30.4 78.4 40.2 4 6 D M H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.834 112.3 56.7 -52.2 -38.0 -29.8 81.7 38.3 5 7 D E H X S+ 0 0 49 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.938 101.2 52.8 -66.3 -51.3 -26.1 81.4 39.0 6 8 D D H X S+ 0 0 42 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.900 112.7 47.5 -47.6 -46.6 -25.6 78.0 37.4 7 9 D Y H X S+ 0 0 17 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.910 110.4 50.3 -63.6 -43.2 -27.3 79.3 34.3 8 10 D I H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.953 112.7 48.4 -62.1 -48.0 -25.1 82.5 34.3 9 11 D E H X S+ 0 0 5 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.932 113.6 45.6 -48.5 -56.5 -22.1 80.3 34.6 10 12 D Q H X S+ 0 0 28 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.831 114.2 48.9 -62.9 -35.5 -23.2 78.0 31.8 11 13 D I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.894 111.5 48.8 -68.6 -42.9 -24.1 81.0 29.6 12 14 D Y H X S+ 0 0 35 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.928 112.5 48.6 -66.1 -44.7 -20.8 82.8 30.2 13 15 D M H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 5,-0.3 0.944 110.9 49.1 -59.3 -54.7 -18.8 79.6 29.4 14 16 D L H X>S+ 0 0 12 -4,-2.2 4,-2.7 1,-0.2 5,-0.6 0.897 113.8 48.3 -50.7 -43.0 -20.7 78.9 26.2 15 17 D I H X5S+ 0 0 44 -4,-2.3 4,-1.6 3,-0.2 -2,-0.2 0.922 106.9 55.3 -62.6 -45.2 -20.1 82.5 25.2 16 18 D E H <5S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 121.3 28.5 -61.2 -37.8 -16.4 82.4 26.0 17 19 D E H <5S+ 0 0 135 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.900 135.3 25.4 -86.2 -46.6 -15.8 79.4 23.7 18 20 D K H <5S- 0 0 93 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.809 90.3-124.3 -96.2 -33.8 -18.5 79.8 21.1 19 21 D G S < - 0 0 103 -2,-0.3 4,-0.9 35,-0.2 -8,-0.1 -0.188 24.3-120.8 -69.4 168.7 -28.0 78.3 22.0 23 25 D V H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.1 3,-0.4 0.910 113.1 53.4 -75.9 -47.0 -30.9 77.0 24.1 24 26 D S H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.894 103.0 60.3 -52.4 -43.0 -30.3 73.4 23.4 25 27 D D H > S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.894 108.7 42.2 -52.0 -47.9 -26.7 74.0 24.5 26 28 D I H < S+ 0 0 0 -4,-0.9 3,-0.4 -3,-0.4 6,-0.3 0.937 109.6 59.4 -62.6 -48.6 -28.0 75.0 28.0 27 29 D A H X S+ 0 0 12 -4,-2.6 4,-0.6 1,-0.3 5,-0.4 0.831 116.7 31.0 -50.9 -41.5 -30.5 72.1 28.0 28 30 D E H < S+ 0 0 154 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.598 110.5 65.2 -98.5 -13.3 -27.9 69.5 27.7 29 31 D A T < S+ 0 0 36 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.224 117.2 29.1 -91.1 13.3 -25.1 71.3 29.6 30 32 D L T 4 S- 0 0 46 -3,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.411 104.7-124.3-137.4 -23.2 -27.1 71.1 32.7 31 33 D A < + 0 0 94 -4,-0.6 2,-0.4 -5,-0.3 -3,-0.2 0.474 69.8 127.0 81.7 9.1 -29.0 67.9 32.0 32 34 D V - 0 0 49 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.1 -0.814 69.7 -95.5-100.4 136.3 -32.4 69.7 32.5 33 35 D H >> - 0 0 138 -2,-0.4 4,-1.6 1,-0.1 3,-1.2 -0.103 28.3-121.6 -46.1 136.8 -35.2 69.6 29.9 34 36 D P H 3> S+ 0 0 59 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.683 110.0 71.8 -56.3 -20.4 -35.3 72.6 27.5 35 37 D S H 3> S+ 0 0 85 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.937 103.2 38.7 -58.0 -49.9 -38.8 73.2 28.7 36 38 D S H <> S+ 0 0 62 -3,-1.2 4,-2.1 2,-0.2 5,-0.2 0.915 112.2 58.2 -66.8 -45.1 -37.4 74.4 32.1 37 39 D V H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.913 103.4 53.2 -49.6 -50.6 -34.5 76.2 30.4 38 40 D T H X S+ 0 0 55 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.897 109.0 48.6 -53.0 -47.3 -37.0 78.3 28.3 39 41 D K H X S+ 0 0 138 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.896 117.4 40.8 -60.5 -44.6 -38.9 79.5 31.5 40 42 D M H X S+ 0 0 46 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.865 110.5 57.8 -72.7 -39.7 -35.7 80.4 33.3 41 43 D V H X S+ 0 0 1 -4,-3.1 4,-0.6 -5,-0.2 -1,-0.2 0.775 110.6 42.0 -67.8 -29.0 -34.0 82.0 30.3 42 44 D Q H X S+ 0 0 76 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.718 112.7 55.7 -87.5 -24.5 -36.9 84.5 29.7 43 45 D K H X S+ 0 0 107 -4,-1.0 4,-1.0 -5,-0.2 -2,-0.2 0.923 108.1 47.2 -66.9 -46.4 -37.0 85.1 33.5 44 46 D L H <>S+ 0 0 1 -4,-2.8 5,-2.4 1,-0.2 6,-1.0 0.733 109.0 55.7 -69.0 -27.0 -33.3 86.0 33.5 45 47 D D H ><5S+ 0 0 50 -4,-0.6 3,-2.1 -5,-0.2 -1,-0.2 0.934 105.1 51.7 -65.4 -51.8 -34.0 88.3 30.5 46 48 D K H 3<5S+ 0 0 154 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.739 107.6 54.3 -55.8 -27.7 -36.7 90.1 32.5 47 49 D D T 3<5S- 0 0 63 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.253 116.4-113.7 -95.2 9.0 -34.1 90.6 35.3 48 50 D E T < 5S+ 0 0 141 -3,-2.1 15,-0.4 2,-0.2 -3,-0.2 0.763 86.2 113.1 65.5 30.6 -31.5 92.2 33.0 49 51 D Y S - 0 0 39 4,-1.7 3,-1.8 -2,-0.7 4,-0.3 -0.970 32.8-125.1-124.3 108.6 -33.1 86.4 20.8 54 56 D K T 3 S+ 0 0 122 -2,-0.5 -32,-0.0 1,-0.3 4,-0.0 -0.222 93.3 10.0 -60.2 146.3 -34.4 83.3 19.0 55 57 D Y T 3 S+ 0 0 206 1,-0.1 -1,-0.3 0, 0.0 -33,-0.1 0.309 123.8 72.5 72.1 -8.5 -32.2 81.8 16.3 56 58 D R S < S- 0 0 172 -3,-1.8 -2,-0.2 1,-0.3 -35,-0.2 0.265 93.8-138.6-127.2 1.5 -29.6 84.2 17.7 57 59 D G - 0 0 7 -4,-0.3 -4,-1.7 -37,-0.1 2,-0.4 -0.281 36.3 -42.1 74.5-149.8 -28.7 82.6 20.9 58 60 D L E -A 52 0A 0 -37,-0.2 2,-0.5 -6,-0.2 -37,-0.2 -0.959 44.6-167.1-134.9 126.2 -28.1 84.2 24.2 59 61 D V E -A 51 0A 52 -8,-1.5 -8,-1.2 -2,-0.4 -39,-0.1 -0.962 15.8-135.1-123.2 128.4 -26.2 87.3 25.2 60 62 D L E -A 50 0A 5 -2,-0.5 -10,-0.3 -10,-0.2 2,-0.1 -0.354 18.1-139.4 -67.4 154.7 -25.1 88.5 28.6 61 63 D T > - 0 0 31 -12,-2.5 4,-2.2 -13,-0.1 5,-0.1 -0.271 39.2 -88.4 -94.7-170.0 -25.6 92.1 29.7 62 64 D S H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -13,-0.1 0.795 134.5 50.3 -68.0 -29.0 -23.1 94.2 31.7 63 65 D K H > S+ 0 0 82 -15,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.689 111.7 46.9 -82.5 -24.4 -24.8 92.8 34.8 64 66 D G H > S+ 0 0 0 -15,-0.3 4,-3.0 2,-0.2 5,-0.2 0.825 111.8 49.8 -82.6 -36.6 -24.5 89.3 33.4 65 67 D K H X S+ 0 0 100 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.871 109.0 53.7 -70.4 -38.1 -20.8 89.7 32.4 66 68 D K H X S+ 0 0 126 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.976 118.5 33.2 -55.6 -58.7 -20.1 91.0 35.9 67 69 D I H X S+ 0 0 32 -4,-1.2 4,-3.2 2,-0.2 5,-0.2 0.902 117.1 54.6 -68.5 -44.6 -21.6 88.0 37.7 68 70 D G H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.924 107.7 49.3 -55.2 -49.2 -20.6 85.4 35.0 69 71 D K H X S+ 0 0 134 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.869 114.9 46.2 -59.0 -39.4 -16.9 86.4 35.1 70 72 D R H X S+ 0 0 95 -4,-1.3 4,-1.9 -5,-0.2 5,-0.2 0.965 113.8 46.1 -67.0 -56.7 -17.0 86.1 38.9 71 73 D L H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.883 114.4 47.8 -55.2 -46.9 -18.9 82.8 39.1 72 74 D V H X S+ 0 0 2 -4,-2.8 4,-3.3 -5,-0.2 5,-0.2 0.870 107.0 57.8 -66.2 -38.6 -16.7 81.2 36.5 73 75 D Y H X S+ 0 0 106 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.963 111.7 39.1 -55.7 -56.3 -13.5 82.4 38.1 74 76 D R H X S+ 0 0 17 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.915 116.1 53.3 -63.7 -40.8 -14.2 80.7 41.5 75 77 D H H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.953 111.9 44.3 -54.8 -53.9 -15.6 77.6 39.6 76 78 D E H X S+ 0 0 87 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.849 115.3 49.7 -61.1 -36.0 -12.4 77.3 37.5 77 79 D L H X S+ 0 0 14 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.920 110.5 47.1 -71.3 -46.5 -10.2 77.9 40.6 78 80 D L H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.857 115.1 48.8 -61.5 -37.4 -12.0 75.3 42.8 79 81 D E H X S+ 0 0 51 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.887 111.8 48.3 -65.4 -43.2 -11.7 73.0 39.8 80 82 D Q H X S+ 0 0 71 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 111.3 52.5 -62.4 -41.7 -8.0 73.8 39.4 81 83 D F H X S+ 0 0 36 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.935 106.5 49.6 -62.6 -52.6 -7.6 73.2 43.2 82 84 D L H X>S+ 0 0 16 -4,-2.2 5,-2.4 1,-0.2 4,-0.9 0.841 110.7 52.7 -57.4 -34.5 -9.1 69.8 43.2 83 85 D R H <5S+ 0 0 118 -4,-1.5 3,-0.4 3,-0.2 -1,-0.2 0.922 108.1 50.2 -65.9 -45.5 -6.9 68.8 40.3 84 86 D I H <5S+ 0 0 17 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.942 108.6 50.2 -59.0 -52.3 -3.7 69.9 42.1 85 87 D I H <5S- 0 0 65 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.684 124.3-106.0 -65.6 -18.4 -4.5 68.0 45.3 86 88 D G T <5 + 0 0 31 -4,-0.9 -3,-0.2 -3,-0.4 -2,-0.1 0.625 57.6 162.6 110.6 18.5 -5.1 65.0 43.1 87 89 D V < - 0 0 40 -5,-2.4 -1,-0.2 1,-0.1 5,-0.1 -0.337 51.7 -85.9 -67.5 144.3 -8.8 64.2 42.8 88 90 D D >> - 0 0 101 1,-0.1 3,-1.7 2,-0.1 4,-0.7 -0.218 33.6-127.9 -47.6 134.0 -10.2 62.0 40.0 89 91 D E H >> S+ 0 0 158 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.825 107.8 55.6 -53.8 -35.5 -10.9 64.0 36.9 90 92 D E H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.433 107.1 48.1 -81.9 -5.4 -14.5 62.6 36.8 91 93 D K H <> S+ 0 0 100 -3,-1.7 4,-1.6 2,-0.1 -1,-0.2 0.465 89.8 83.5-112.3 -8.3 -15.4 63.7 40.3 92 94 D I H S+ 0 0 108 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.890 115.1 46.2 -61.0 -41.6 -19.8 67.4 40.7 95 97 D D H X S+ 0 0 84 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.891 113.2 47.9 -68.2 -42.6 -17.9 68.3 43.8 96 98 D V H >X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 3,-0.9 0.918 108.7 54.9 -68.2 -41.8 -17.1 71.9 42.7 97 99 D E H 3X S+ 0 0 38 -4,-2.9 4,-0.6 -5,-0.3 -2,-0.2 0.957 110.6 46.6 -51.0 -52.6 -20.8 72.5 41.8 98 100 D G H 3< S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.535 121.0 34.7 -73.0 -9.3 -21.9 71.4 45.3 99 101 D I H X< S+ 0 0 65 -3,-0.9 3,-1.7 -4,-0.7 -1,-0.2 0.571 95.0 82.1-116.5 -17.4 -19.3 73.5 47.2 100 102 D E H 3< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.3 -2,-0.1 0.789 96.3 45.1 -64.1 -28.1 -19.0 76.7 45.1 101 103 D H T 3< S+ 0 0 45 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.385 111.7 55.4 -93.7 3.9 -22.1 78.2 46.5 102 104 D H S < S+ 0 0 157 -3,-1.7 2,-0.4 2,-0.1 -1,-0.2 0.043 87.5 88.4-126.4 25.4 -21.1 77.3 50.1 103 105 D L S S- 0 0 60 -3,-0.5 2,-0.1 -4,-0.1 -4,-0.0 -0.977 71.5-122.4-127.0 140.6 -17.7 78.9 50.5 104 106 D S > - 0 0 69 -2,-0.4 4,-2.7 1,-0.1 3,-0.3 -0.406 25.4-115.7 -77.7 154.5 -16.8 82.3 51.7 105 107 D W H > S+ 0 0 103 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.814 116.8 60.8 -61.7 -30.0 -14.7 84.6 49.5 106 108 D N H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 107.9 43.1 -58.8 -45.6 -12.0 84.5 52.1 107 109 D S H > S+ 0 0 31 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.965 113.2 51.2 -68.5 -48.4 -11.7 80.8 51.7 108 110 D I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.916 111.8 50.0 -48.1 -46.2 -11.9 81.2 47.9 109 111 D D H X S+ 0 0 76 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.897 110.9 47.4 -59.6 -44.1 -9.1 83.7 48.3 110 112 D R H X S+ 0 0 130 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.867 108.0 53.6 -69.0 -40.6 -6.9 81.4 50.5 111 113 D I H X S+ 0 0 27 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.878 103.4 61.0 -57.3 -40.0 -7.3 78.5 48.1 112 114 D G H X S+ 0 0 14 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.914 104.6 45.9 -53.2 -48.2 -6.1 80.9 45.5 113 115 D D H X S+ 0 0 73 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.895 111.1 54.6 -59.6 -42.0 -2.8 81.3 47.4 114 116 D L H X S+ 0 0 71 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.888 110.9 43.6 -60.7 -43.5 -2.7 77.5 47.7 115 117 D V H >X S+ 0 0 9 -4,-2.8 4,-2.7 2,-0.2 3,-0.5 0.948 113.9 51.1 -65.5 -48.0 -3.0 77.0 43.9 116 118 D Q H 3X S+ 0 0 105 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.846 105.5 59.0 -54.5 -36.9 -0.5 79.8 43.4 117 119 D Y H 3< S+ 0 0 119 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.856 112.2 36.1 -63.7 -40.8 1.8 78.0 45.8 118 120 D F H X< S+ 0 0 26 -4,-1.2 3,-0.9 -3,-0.5 6,-0.3 0.827 115.5 54.1 -83.5 -35.2 2.0 74.8 43.8 119 121 D E H 3< S+ 0 0 76 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.893 100.3 62.4 -64.0 -38.4 1.9 76.5 40.4 120 122 D E T 3< S+ 0 0 145 -4,-2.3 -1,-0.2 1,-0.3 2,-0.2 0.653 118.9 25.0 -60.6 -18.2 5.0 78.6 41.5 121 123 D D X - 0 0 82 -3,-0.9 3,-1.0 -4,-0.2 4,-0.3 -0.735 57.5-178.0-152.8 97.2 7.0 75.4 41.8 122 124 D D T 3 S+ 0 0 113 -3,-0.4 3,-0.3 1,-0.3 4,-0.2 0.544 84.3 75.4 -70.9 -8.7 6.0 72.3 39.8 123 125 D A T 3 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.076 93.5 53.7 -85.1 20.7 8.9 70.6 41.7 124 126 D R S <> S+ 0 0 109 -3,-1.0 4,-1.1 -6,-0.3 -2,-0.2 0.402 86.1 73.3-130.5 -12.8 6.5 70.5 44.7 125 127 D K H > S+ 0 0 59 -4,-0.3 4,-1.8 -3,-0.3 -2,-0.1 0.613 92.0 71.3 -64.1 -15.5 3.6 68.8 42.9 126 128 D K H 4 S+ 0 0 140 2,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.981 94.5 42.5 -64.7 -64.4 6.2 66.0 43.4 127 129 D D H >> S+ 0 0 63 1,-0.2 3,-0.9 -4,-0.2 4,-0.7 0.887 115.3 50.8 -55.6 -45.8 6.0 65.5 47.2 128 130 D L H >< S+ 0 0 41 -4,-1.1 2,-1.7 1,-0.3 3,-1.6 0.961 104.9 58.0 -54.6 -52.4 2.2 65.7 47.2 129 131 D K T 3< S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 -0.131 106.9 49.4 -76.6 42.6 2.1 63.1 44.4 130 132 D S T <4 S+ 0 0 70 -2,-1.7 -1,-0.2 -3,-0.9 -2,-0.2 0.331 86.5 77.7-149.4 -14.1 4.0 60.6 46.6 131 133 D I << + 0 0 127 -3,-1.6 2,-1.8 -4,-0.7 -2,-0.1 0.526 66.5 98.2 -77.7 -6.0 2.0 60.7 49.8 132 134 D Q 0 0 107 -4,-0.4 -1,-0.2 0, 0.0 -3,-0.1 -0.167 360.0 360.0 -74.5 44.1 -0.6 58.5 48.0 133 135 D K 0 0 237 -2,-1.8 -2,-0.1 -3,-0.0 -3,-0.0 -0.569 360.0 360.0-141.4 360.0 1.1 55.6 49.8