==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 08-JUL-11 3SSX . COMPND 2 MOLECULE: TRP OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.BENOFF,J.CAREY,H.M.BERMAN,C.L.LAWSON . 201 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 77.1 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 . 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 . 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 0 0 4 0 0 1 1 1 0 0 0 0 0 2 0 0 0 2 0 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 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 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 5 R S 0 0 148 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.3 -21.0 -2.8 40.1 2 6 R P + 0 0 142 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.658 360.0 35.2 -66.5 -22.6 -20.9 -4.6 36.7 3 7 R Y - 0 0 162 4,-0.0 2,-0.7 5,-0.0 3,-0.1 -0.984 65.0-154.9-139.7 127.7 -19.4 -1.8 34.7 4 8 R S > + 0 0 52 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 -0.862 12.6 177.7-102.7 104.0 -16.8 0.8 35.6 5 9 R A H > S+ 0 0 66 -2,-0.7 4,-2.4 2,-0.2 5,-0.2 0.828 86.8 59.3 -67.1 -30.7 -16.9 4.1 33.6 6 10 R A H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 108.7 41.5 -61.8 -49.2 -14.0 5.3 35.9 7 11 R M H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.839 111.6 56.3 -66.7 -34.7 -11.8 2.4 34.8 8 12 R A H X S+ 0 0 40 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.932 110.4 44.7 -63.7 -45.1 -12.9 2.8 31.1 9 13 R E H X S+ 0 0 104 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.906 110.3 55.2 -67.5 -39.3 -11.8 6.5 31.2 10 14 R Q H X S+ 0 0 84 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.929 110.2 46.4 -56.3 -47.0 -8.5 5.6 32.9 11 15 R R H X S+ 0 0 76 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.886 111.2 51.5 -60.5 -42.3 -7.8 3.1 30.1 12 16 R H H X S+ 0 0 81 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.944 108.7 50.5 -66.1 -41.8 -8.7 5.6 27.5 13 17 R Q H X S+ 0 0 96 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.900 109.9 51.3 -58.9 -38.1 -6.4 8.3 29.0 14 18 R E H X S+ 0 0 19 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.904 110.9 49.0 -62.5 -43.0 -3.5 5.6 29.0 15 19 R W H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.915 109.8 50.3 -61.7 -49.3 -4.3 5.0 25.3 16 20 R L H X S+ 0 0 40 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.821 105.3 58.1 -59.4 -36.6 -4.2 8.7 24.5 17 21 R R H X S+ 0 0 83 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.911 109.0 44.3 -61.6 -44.0 -0.9 9.0 26.3 18 22 R F H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.905 111.9 52.8 -61.6 -48.6 0.6 6.4 23.9 19 23 R V H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.934 113.4 44.2 -55.2 -37.9 -1.1 8.1 20.9 20 24 R D H X S+ 0 0 73 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.865 110.9 53.6 -74.0 -38.5 0.5 11.5 22.0 21 25 R L H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.931 112.6 44.3 -58.9 -50.3 3.9 9.9 22.7 22 26 R L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.867 109.3 56.4 -64.7 -41.1 3.9 8.4 19.2 23 27 R K H X S+ 0 0 80 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.948 111.3 44.5 -52.0 -49.8 2.7 11.7 17.6 24 28 R N H X S+ 0 0 69 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.855 110.1 55.3 -65.5 -38.4 5.7 13.5 19.2 25 29 R A H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 6,-1.0 0.878 105.8 50.7 -59.7 -41.2 8.0 10.7 18.1 26 30 R Y H ><5S+ 0 0 20 -4,-2.4 3,-0.9 4,-0.2 -1,-0.2 0.914 109.0 53.7 -62.3 -40.2 7.0 11.1 14.5 27 31 R Q H 3<5S+ 0 0 143 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.813 116.9 36.4 -66.1 -29.6 7.7 14.9 14.8 28 32 R N T 3<5S- 0 0 65 -4,-1.6 -1,-0.2 0, 0.0 -2,-0.2 0.278 113.7-112.3-112.5 19.7 11.2 14.3 16.0 29 33 R D T < 5S+ 0 0 127 -3,-0.9 3,-0.2 -4,-0.5 -3,-0.2 0.661 87.8 112.5 65.0 22.0 12.0 11.2 13.9 30 34 R L >< + 0 0 27 -5,-2.2 4,-2.4 -6,-0.2 -4,-0.2 0.252 41.2 105.2-100.8 15.5 12.2 8.8 16.8 31 35 R H H > S+ 0 0 17 -6,-1.0 4,-2.6 1,-0.2 5,-0.2 0.896 74.6 53.3 -65.0 -41.5 9.0 6.9 15.6 32 36 R L H > S+ 0 0 64 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.969 114.2 39.6 -62.6 -46.4 10.8 3.8 14.3 33 37 R P H > S+ 0 0 24 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.895 114.1 54.7 -73.2 -27.4 12.8 3.1 17.4 34 38 R L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.937 110.0 47.0 -65.3 -43.6 9.8 3.9 19.7 35 39 R L H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.827 109.2 54.9 -68.7 -28.6 7.6 1.4 17.7 36 40 R N H < S+ 0 0 74 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.890 113.7 42.1 -70.2 -32.0 10.4 -1.2 18.0 37 41 R L H < S+ 0 0 18 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.881 119.4 42.4 -75.9 -44.6 10.3 -0.7 21.8 38 42 R M H < S+ 0 0 5 -4,-2.6 2,-0.4 -5,-0.1 -2,-0.2 0.670 111.9 49.7 -77.4 -28.6 6.5 -0.6 22.2 39 43 R L S < S- 0 0 10 -4,-1.9 -1,-0.0 -5,-0.2 108,-0.0 -0.942 80.4-120.2-118.1 148.0 5.4 -3.4 19.9 40 44 R T > - 0 0 28 -2,-0.4 4,-2.7 1,-0.1 3,-0.3 -0.348 32.3-107.8 -75.8 161.2 6.6 -7.0 19.7 41 45 R P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.881 122.4 51.2 -57.3 -39.6 8.1 -8.4 16.5 42 46 R D H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.842 109.7 49.5 -62.9 -37.7 4.9 -10.4 16.0 43 47 R E H > S+ 0 0 30 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.906 110.5 49.8 -71.5 -38.1 2.7 -7.4 16.5 44 48 R R H X S+ 0 0 49 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.922 112.0 48.4 -66.3 -37.8 4.8 -5.3 14.0 45 49 R E H X S+ 0 0 86 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.942 110.4 52.1 -65.1 -40.9 4.5 -8.2 11.5 46 50 R A H X S+ 0 0 24 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.887 109.4 48.9 -58.0 -43.5 0.7 -8.3 12.1 47 51 R L H X S+ 0 0 2 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.909 110.2 50.7 -67.3 -40.7 0.4 -4.6 11.5 48 52 R G H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 3,-0.3 0.921 114.0 45.4 -62.1 -39.7 2.4 -4.9 8.2 49 53 R T H X S+ 0 0 28 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.878 106.0 59.9 -70.0 -37.6 0.1 -7.8 7.1 50 54 R R H X S+ 0 0 23 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.787 98.4 58.4 -66.1 -23.6 -3.0 -5.9 8.2 51 55 R V H X S+ 0 0 1 -4,-1.2 4,-2.5 -3,-0.3 -1,-0.3 0.908 107.2 48.2 -65.3 -41.1 -2.1 -3.1 5.7 52 56 R R H X S+ 0 0 49 -4,-1.0 4,-2.8 -3,-0.5 -2,-0.2 0.873 109.5 53.3 -65.8 -40.1 -2.2 -5.8 2.9 53 57 R I H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.940 110.9 44.5 -62.7 -47.6 -5.5 -7.0 4.3 54 58 R V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.950 114.0 51.0 -59.9 -46.7 -7.1 -3.5 4.1 55 59 R E H X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.933 113.2 44.6 -56.6 -48.7 -5.6 -3.0 0.6 56 60 R E H X S+ 0 0 33 -4,-2.8 4,-1.8 1,-0.2 6,-0.5 0.861 111.6 52.8 -69.1 -34.0 -7.0 -6.3 -0.7 57 61 R L H < S+ 0 0 48 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.926 114.1 42.8 -67.6 -42.0 -10.4 -5.8 0.8 58 62 R L H < S+ 0 0 42 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.848 110.0 56.2 -66.4 -39.6 -10.6 -2.4 -0.9 59 63 R R H < S- 0 0 83 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.848 89.0-155.8 -67.3 -31.0 -9.2 -3.6 -4.2 60 64 R G < + 0 0 60 -4,-1.8 -3,-0.1 -5,-0.2 -1,-0.1 0.538 59.5 112.4 71.2 3.2 -12.0 -6.3 -4.3 61 65 R E + 0 0 152 -5,-0.3 2,-0.2 2,-0.1 -4,-0.1 0.883 56.3 78.3 -71.1 -43.2 -10.0 -8.6 -6.6 62 66 R M S S- 0 0 40 -6,-0.5 2,-0.1 4,-0.1 -2,-0.0 -0.514 78.3-131.3 -73.0 138.3 -9.5 -11.4 -4.1 63 67 R S > - 0 0 52 -2,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.318 29.6-103.0 -73.6 167.9 -12.4 -13.8 -3.5 64 68 R Q H > S+ 0 0 175 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 125.8 50.4 -57.4 -44.4 -13.5 -14.7 0.0 65 69 R R H > S+ 0 0 178 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 110.9 47.5 -60.3 -41.5 -11.7 -18.1 -0.4 66 70 R E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 110.6 53.1 -67.5 -39.9 -8.5 -16.3 -1.6 67 71 R L H X S+ 0 0 21 -4,-2.6 4,-3.0 2,-0.2 5,-0.5 0.937 111.8 44.9 -56.8 -48.9 -8.7 -13.9 1.3 68 72 R K H X S+ 0 0 152 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 112.8 50.7 -67.3 -42.5 -8.9 -16.7 3.8 69 73 R N H < S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.882 118.5 38.4 -57.1 -43.4 -6.1 -18.7 2.1 70 74 R E H < S+ 0 0 100 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.888 134.5 18.0 -77.2 -41.5 -3.8 -15.7 2.1 71 75 R F H >< S- 0 0 18 -4,-3.0 3,-0.8 -5,-0.2 4,-0.3 0.637 82.5-175.6-116.5 -17.3 -4.7 -14.2 5.5 72 76 R G G >< - 0 0 26 -4,-2.3 3,-1.3 -5,-0.5 -1,-0.2 -0.169 66.1 -13.9 61.7-143.6 -6.4 -16.8 7.5 73 77 R A G > S+ 0 0 97 1,-0.3 3,-1.9 2,-0.1 4,-0.3 0.785 123.9 77.3 -69.2 -25.9 -7.8 -16.1 11.0 74 78 R G G X S+ 0 0 39 -3,-0.8 3,-1.4 1,-0.3 4,-0.3 0.757 78.3 72.5 -52.8 -29.6 -5.9 -12.8 11.0 75 79 R I G X> S+ 0 0 25 -3,-1.3 4,-2.1 1,-0.3 3,-1.9 0.704 77.7 74.5 -66.2 -23.1 -8.4 -11.2 8.7 76 80 R A H <> S+ 0 0 39 -3,-1.9 4,-2.0 1,-0.3 -1,-0.3 0.738 83.7 67.9 -68.6 -20.0 -11.1 -10.9 11.4 77 81 R T H <4 S+ 0 0 39 -3,-1.4 -1,-0.3 -4,-0.3 6,-0.2 0.767 113.0 31.4 -64.7 -27.5 -9.3 -8.1 13.0 78 82 R I H <4 S+ 0 0 0 -3,-1.9 7,-2.8 -4,-0.3 8,-0.2 0.758 128.7 35.2 -97.0 -34.5 -10.1 -6.1 10.0 79 83 R T H < S+ 0 0 47 -4,-2.1 2,-0.2 5,-0.2 -3,-0.2 0.657 120.9 28.7-100.4 -18.4 -13.4 -7.5 8.8 80 84 R R S < S+ 0 0 182 -4,-2.0 3,-0.4 -5,-0.2 5,-0.1 -0.630 85.0 52.8-127.9-174.2 -15.2 -8.3 12.1 81 85 R G S > S- 0 0 66 -2,-0.2 3,-0.5 1,-0.2 -4,-0.0 -0.233 100.4 -38.4 80.8-168.3 -15.2 -7.1 15.7 82 86 R S T 3 S+ 0 0 84 1,-0.3 2,-0.3 54,-0.0 -1,-0.2 0.725 134.1 31.5 -76.3 -25.0 -15.8 -3.6 17.2 83 87 R N T 3 S+ 0 0 59 -3,-0.4 -1,-0.3 -6,-0.2 -3,-0.1 -0.585 81.1 164.7-131.8 74.7 -13.9 -1.5 14.7 84 88 R S <> - 0 0 15 -3,-0.5 4,-0.7 -2,-0.3 -5,-0.2 -0.395 51.8-108.7 -87.9 170.5 -14.2 -3.3 11.3 85 89 R L T >4 S+ 0 0 17 -7,-2.8 3,-1.2 1,-0.2 -6,-0.1 0.919 121.4 54.7 -63.2 -45.3 -13.4 -1.8 7.9 86 90 R K T 34 S+ 0 0 186 -8,-0.2 -1,-0.2 1,-0.2 -7,-0.1 0.884 110.5 46.9 -47.9 -46.5 -17.2 -1.8 7.1 87 91 R A T 34 S+ 0 0 67 -8,-0.0 -1,-0.2 50,-0.0 -2,-0.2 0.561 87.8 115.5 -75.3 -9.5 -17.7 0.3 10.3 88 92 R A S << S- 0 0 8 -3,-1.2 46,-0.0 -4,-0.7 -3,-0.0 -0.205 79.2 -90.0 -67.0 153.4 -14.9 2.8 9.7 89 93 R P >> - 0 0 53 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.306 35.8-121.6 -52.7 138.6 -15.6 6.6 9.1 90 94 R V H 3> S+ 0 0 67 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.869 112.3 59.1 -52.0 -40.3 -16.1 7.3 5.4 91 95 R E H 3> S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.806 107.7 46.2 -60.7 -32.2 -13.3 9.8 5.5 92 96 R L H <> S+ 0 0 0 -3,-1.0 4,-3.6 2,-0.2 5,-0.3 0.951 112.2 49.0 -73.0 -48.8 -10.9 7.0 6.6 93 97 R R H X S+ 0 0 72 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.922 114.6 47.1 -57.6 -42.1 -12.1 4.5 4.0 94 98 R Q H X S+ 0 0 99 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.952 112.5 46.9 -66.8 -44.8 -11.8 7.1 1.3 95 99 R W H X S+ 0 0 16 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.924 112.5 51.8 -62.9 -41.7 -8.3 8.2 2.4 96 100 R L H X>S+ 0 0 0 -4,-3.6 4,-3.1 2,-0.2 5,-0.5 0.911 108.8 50.2 -60.5 -43.9 -7.3 4.5 2.6 97 101 R E H X5S+ 0 0 92 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.962 113.3 47.7 -55.9 -46.1 -8.6 3.9 -0.9 98 102 R E H <5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.908 121.1 33.5 -60.8 -52.3 -6.6 6.9 -2.1 99 103 R V H ><5S+ 0 0 40 -4,-2.8 3,-0.9 1,-0.1 -2,-0.2 0.925 122.7 42.2 -73.7 -49.3 -3.3 6.0 -0.4 100 104 R L H 3<5S+ 0 0 6 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.764 118.0 44.9 -77.8 -26.4 -3.4 2.1 -0.6 101 105 R L T 3<< 0 0 64 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.1 -0.111 360.0 360.0-106.1 35.1 -4.6 1.9 -4.2 102 106 R K < 0 0 230 -3,-0.9 -3,-0.1 0, 0.0 -4,-0.0 -0.496 360.0 360.0 -77.7 360.0 -2.4 4.6 -5.8 103 !* 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 0.0 104 8 N S > 0 0 131 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.1 15.5 -16.2 4.6 105 9 N A H > + 0 0 84 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.617 360.0 59.8 -94.5 -21.7 17.0 -12.6 4.1 106 10 N A H > S+ 0 0 82 2,-0.2 4,-1.8 3,-0.1 -1,-0.1 0.745 108.7 45.7 -72.9 -29.6 14.6 -11.9 1.1 107 11 N M H > S+ 0 0 73 2,-0.2 4,-3.4 3,-0.2 5,-0.4 0.907 109.4 55.0 -73.9 -46.4 11.7 -12.4 3.4 108 12 N A H X S+ 0 0 56 -4,-0.9 4,-2.1 1,-0.2 -2,-0.2 0.937 110.2 46.5 -48.4 -55.7 13.4 -10.3 6.0 109 13 N E H X S+ 0 0 104 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.933 114.1 46.7 -51.5 -53.4 13.6 -7.6 3.4 110 14 N Q H X S+ 0 0 91 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.923 112.6 48.7 -62.2 -47.8 9.9 -8.1 2.3 111 15 N R H X S+ 0 0 72 -4,-3.4 4,-2.1 2,-0.2 -1,-0.2 0.870 111.8 52.7 -50.9 -40.5 8.6 -8.1 6.0 112 16 N H H X S+ 0 0 89 -4,-2.1 4,-3.0 -5,-0.4 -2,-0.2 0.929 108.7 47.6 -66.3 -44.6 10.7 -4.9 6.6 113 17 N Q H X S+ 0 0 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110.7 47.2 -55.0 -50.2 2.6 8.9 9.8 124 28 N N H X S+ 0 0 48 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.901 109.6 54.3 -60.7 -39.0 0.4 10.1 7.0 125 29 N A H <>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 6,-0.7 0.915 106.6 50.4 -59.8 -45.4 -2.8 9.5 9.1 126 30 N Y H ><5S+ 0 0 25 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.926 108.4 53.3 -61.1 -41.7 -1.4 11.7 11.9 127 31 N Q H 3<5S+ 0 0 146 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.826 115.3 40.9 -58.8 -29.4 -0.7 14.4 9.4 128 32 N N T 3<5S- 0 0 86 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.273 113.5-115.2-104.4 7.8 -4.4 14.1 8.2 129 33 N D T < 5S+ 0 0 119 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.791 88.2 112.4 59.5 30.5 -5.8 13.8 11.7 130 34 N L >< + 0 0 19 -5,-2.9 4,-2.1 -6,-0.2 -4,-0.2 0.239 37.6 103.9-111.5 15.6 -7.0 10.3 10.9 131 35 N H H > S+ 0 0 17 -6,-0.7 4,-3.0 1,-0.2 5,-0.2 0.872 75.9 55.2 -65.9 -38.8 -4.7 8.5 13.3 132 36 N L H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 113.2 39.0 -62.3 -49.0 -7.4 7.7 15.9 133 37 N P H > S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.857 116.2 53.4 -69.2 -32.1 -9.8 5.9 13.5 134 38 N L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.943 110.5 46.7 -63.4 -46.1 -6.8 4.2 11.7 135 39 N L H X S+ 0 0 4 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.868 110.8 53.2 -66.1 -33.3 -5.5 2.9 15.1 136 40 N N H < S+ 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.902 114.3 41.8 -64.6 -38.6 -9.0 1.7 16.1 137 41 N L H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 119.5 41.6 -72.1 -44.2 -9.3 -0.2 12.9 138 42 N M H < S+ 0 0 1 -4,-2.6 2,-0.4 -5,-0.1 -2,-0.2 0.627 109.6 56.9 -84.3 -23.6 -5.7 -1.7 12.8 139 43 N L S < S- 0 0 7 -4,-1.9 -56,-0.0 -5,-0.2 -92,-0.0 -0.926 79.4-123.6-112.4 144.5 -5.3 -2.7 16.4 140 44 N T > - 0 0 34 -2,-0.4 4,-2.3 1,-0.1 3,-0.2 -0.419 31.7-108.2 -74.6 160.0 -7.4 -5.0 18.5 141 45 N P H > S+ 0 0 64 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.895 122.2 50.0 -54.4 -45.4 -8.8 -3.6 21.8 142 46 N D H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.847 109.1 51.4 -63.7 -38.1 -6.4 -5.8 23.8 143 47 N E H > S+ 0 0 30 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.916 110.8 48.4 -67.0 -37.1 -3.4 -4.5 21.7 144 48 N R H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.934 112.3 48.5 -67.3 -41.6 -4.5 -0.9 22.4 145 49 N E H X S+ 0 0 93 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.898 109.5 53.1 -60.0 -46.7 -4.8 -1.6 26.0 146 50 N A H X S+ 0 0 28 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.903 108.2 51.2 -53.0 -47.8 -1.4 -3.3 26.0 147 51 N L H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.939 109.2 49.1 -59.0 -45.8 0.1 -0.2 24.4 148 52 N G H X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.922 115.0 45.2 -60.0 -37.4 -1.4 2.1 27.0 149 53 N T H X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.902 106.9 58.7 -74.7 -35.3 -0.0 -0.2 29.8 150 54 N R H X S+ 0 0 49 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.842 98.4 59.0 -67.0 -25.4 3.4 -0.5 28.2 151 55 N V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.951 109.5 45.2 -61.7 -44.8 3.9 3.2 28.3 152 56 N R H X S+ 0 0 49 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.877 111.4 51.2 -65.1 -41.4 3.5 3.0 32.1 153 57 N I H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.926 112.4 46.9 -58.2 -52.7 5.7 -0.1 32.3 154 58 N V H X S+ 0 0 7 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.943 111.1 52.1 -56.3 -43.7 8.5 1.8 30.4 155 59 N E H X S+ 0 0 22 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.948 113.7 43.9 -58.2 -44.5 8.0 4.8 32.6 156 60 N E H X S+ 0 0 20 -4,-2.8 4,-2.1 1,-0.2 5,-0.5 0.835 110.9 53.7 -72.7 -31.1 8.4 2.7 35.8 157 61 N L H < S+ 0 0 43 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.945 113.0 44.2 -65.1 -45.1 11.4 0.8 34.3 158 62 N L H < S+ 0 0 31 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 111.2 53.9 -64.2 -40.1 13.2 4.1 33.6 159 63 N R H < S- 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.899 92.1-155.9 -61.7 -41.9 12.1 5.5 37.1 160 64 N G < + 0 0 61 -4,-2.1 -3,-0.1 -5,-0.2 -1,-0.1 0.675 59.8 107.2 76.5 18.3 13.7 2.4 38.7 161 65 N E + 0 0 147 -5,-0.5 2,-0.2 2,-0.1 -4,-0.1 0.874 57.8 78.0 -89.4 -46.5 11.6 2.5 41.9 162 66 N M S S- 0 0 49 -6,-0.4 2,-0.1 4,-0.1 -2,-0.1 -0.433 72.8-138.2 -70.9 130.5 9.3 -0.4 41.4 163 67 N S > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.356 33.7 -97.3 -75.6 164.0 10.6 -4.0 42.0 164 68 N Q H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 128.0 50.1 -41.2 -47.4 9.7 -7.0 39.7 165 69 N R H > S+ 0 0 173 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 108.8 49.5 -68.0 -38.1 7.0 -7.9 42.2 166 70 N E H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 110.0 52.1 -67.8 -35.8 5.5 -4.4 42.3 167 71 N L H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 6,-1.0 0.888 109.9 48.6 -66.7 -40.5 5.4 -4.2 38.5 168 72 N K H X S+ 0 0 111 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.929 113.6 48.9 -59.7 -47.9 3.6 -7.6 38.4 169 73 N N H < S+ 0 0 102 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.892 119.0 36.3 -59.2 -40.6 1.1 -6.2 41.1 170 74 N E H < S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.884 134.3 18.0 -86.7 -36.5 0.4 -3.0 39.3 171 75 N F H < S- 0 0 29 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.422 91.5-119.6-115.6 -6.4 0.5 -4.0 35.6 172 76 N G < + 0 0 58 -4,-2.0 2,-0.6 -5,-0.3 -4,-0.2 0.591 63.5 150.0 70.0 15.9 0.0 -7.8 35.6 173 77 N A - 0 0 5 -6,-1.0 -1,-0.2 -9,-0.1 -2,-0.1 -0.653 31.0-157.2 -92.0 117.5 3.5 -7.8 33.8 174 78 N G > - 0 0 16 -2,-0.6 4,-2.4 -3,-0.1 5,-0.3 -0.174 37.1 -83.2 -82.6-175.1 5.4 -11.1 34.6 175 79 N I H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 126.0 52.5 -60.0 -43.3 9.2 -11.6 34.4 176 80 N A H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 111.2 45.5 -57.9 -50.3 9.2 -12.3 30.7 177 81 N T H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.923 114.3 48.1 -59.5 -43.9 7.4 -9.2 29.8 178 82 N I H X S+ 0 0 18 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.900 111.9 51.2 -63.5 -41.0 9.5 -7.1 32.1 179 83 N T H X S+ 0 0 65 -4,-2.7 4,-3.1 -5,-0.3 5,-0.2 0.920 107.2 51.9 -62.7 -39.7 12.6 -8.7 30.6 180 84 N R H X S+ 0 0 102 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.921 110.8 49.4 -60.1 -44.9 11.5 -8.0 27.1 181 85 N G H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.932 113.0 46.1 -57.7 -47.6 11.0 -4.3 28.2 182 86 N S H X S+ 0 0 39 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.933 113.3 49.1 -62.2 -49.4 14.5 -4.1 29.8 183 87 N N H X S+ 0 0 94 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.895 110.6 50.4 -54.4 -42.3 16.1 -5.8 26.8 184 88 N S H X S+ 0 0 32 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.880 108.5 52.2 -68.4 -37.3 14.3 -3.4 24.4 185 89 N L H < S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.894 111.8 47.6 -66.7 -36.2 15.5 -0.3 26.4 186 90 N K H < S+ 0 0 157 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.841 114.4 45.8 -67.9 -35.2 19.0 -1.7 26.1 187 91 N A H < S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.616 94.6 100.8 -80.8 -20.5 18.7 -2.3 22.4 188 92 N A S < S- 0 0 18 -4,-1.1 2,-0.0 -5,-0.2 -154,-0.0 -0.341 88.5 -95.2 -67.1 148.3 17.1 1.1 21.8 189 93 N P >> - 0 0 66 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.402 36.2-119.5 -55.6 141.4 19.2 4.0 20.4 190 94 N V H 3> S+ 0 0 82 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.894 112.6 60.9 -56.8 -35.0 20.5 6.1 23.3 191 95 N E H 3> S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 104.6 49.6 -61.1 -35.1 18.6 9.2 22.0 192 96 N L H <> S+ 0 0 0 -3,-0.8 4,-3.0 2,-0.2 -1,-0.2 0.933 112.0 47.1 -65.8 -50.3 15.3 7.3 22.4 193 97 N R H X S+ 0 0 86 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.929 115.6 45.2 -59.7 -46.5 16.1 6.2 25.9 194 98 N Q H X S+ 0 0 77 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.905 113.2 50.0 -63.7 -39.4 17.1 9.8 26.9 195 99 N W H X S+ 0 0 40 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.942 110.1 51.2 -64.5 -40.6 14.1 11.3 25.2 196 100 N L H X>S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.2 5,-0.5 0.885 106.4 53.8 -65.2 -37.1 11.8 8.9 27.0 197 101 N E H X5S+ 0 0 68 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.884 113.2 45.3 -63.9 -35.6 13.3 9.8 30.4 198 102 N E H X5S+ 0 0 140 -4,-1.7 4,-0.6 -3,-0.2 -2,-0.2 0.920 122.1 34.3 -69.0 -46.1 12.6 13.5 29.5 199 103 N V H <5S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.776 123.1 40.5 -84.8 -30.5 9.0 13.0 28.3 200 104 N L H <5S+ 0 0 6 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.671 120.8 39.6 -92.4 -23.3 7.8 10.2 30.5 201 105 N L H << 0 0 58 -4,-0.9 -2,-0.2 -5,-0.5 -3,-0.1 0.552 360.0 360.0-105.4 -6.7 9.3 11.2 33.8 202 106 N K < 0 0 193 -4,-0.6 -3,-0.0 -5,-0.1 -4,-0.0 -0.118 360.0 360.0 -54.0 360.0 8.6 15.0 33.4