==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 07-APR-12 4EJW . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR TCAR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS RP62A; . AUTHOR Y.M.CHANG,C.K.M.CHEN,A.H.J.WANG . 273 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 82.4 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 . 9 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 0 2 0 0 1 1 0 0 0 0 0 1 2 0 0 1 1 0 0 0 0 1 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A R > 0 0 203 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -53.9 -16.3 17.8 -15.8 2 5 A I H > + 0 0 34 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.761 360.0 57.7 -80.4 -23.9 -14.2 20.9 -15.3 3 6 A E H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 107.7 50.0 -70.3 -32.6 -17.3 22.9 -15.2 4 7 A D H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.969 108.2 48.5 -66.3 -57.4 -18.3 20.7 -12.3 5 8 A H H X S+ 0 0 49 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.866 111.6 53.6 -52.4 -38.5 -15.1 21.0 -10.3 6 9 A I H X S+ 0 0 24 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.901 108.6 47.3 -63.6 -43.7 -15.4 24.8 -10.8 7 10 A S H X S+ 0 0 47 -4,-1.8 4,-2.9 -3,-0.3 -2,-0.2 0.922 114.5 47.2 -64.5 -44.5 -19.0 24.9 -9.4 8 11 A F H X S+ 0 0 19 -4,-2.6 4,-4.6 2,-0.2 5,-0.2 0.955 112.6 47.9 -62.3 -51.9 -18.0 22.7 -6.4 9 12 A L H X S+ 0 0 45 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.893 113.4 48.9 -56.3 -42.9 -14.9 24.8 -5.7 10 13 A E H X S+ 0 0 44 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.950 115.8 43.6 -61.1 -48.6 -16.9 28.0 -5.9 11 14 A K H X S+ 0 0 62 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.937 110.9 54.6 -62.9 -45.2 -19.5 26.4 -3.6 12 15 A F H X S+ 0 0 10 -4,-4.6 4,-1.6 1,-0.2 -1,-0.2 0.897 113.5 43.0 -55.1 -42.6 -16.8 25.1 -1.3 13 16 A I H X S+ 0 0 12 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.839 109.4 55.5 -73.9 -33.8 -15.4 28.6 -1.0 14 17 A N H X S+ 0 0 13 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.862 111.3 46.9 -66.6 -32.9 -18.8 30.2 -0.6 15 18 A D H X S+ 0 0 9 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.828 110.6 49.7 -75.4 -36.7 -19.4 27.8 2.3 16 19 A V H X S+ 0 0 15 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.879 112.8 48.7 -68.9 -38.8 -16.1 28.5 4.0 17 20 A N H X S+ 0 0 53 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.956 111.9 49.4 -65.9 -45.8 -16.8 32.1 3.6 18 21 A T H >X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 3,-0.7 0.956 112.2 47.2 -54.9 -56.6 -20.2 31.6 5.1 19 22 A L H 3X S+ 0 0 17 -4,-2.9 4,-2.6 1,-0.3 5,-0.2 0.863 108.8 53.1 -54.2 -44.9 -18.9 29.6 8.0 20 23 A T H 3X S+ 0 0 31 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.822 108.3 54.3 -63.1 -28.5 -16.1 32.0 8.9 21 24 A A H X S+ 0 0 58 -4,-1.8 3,-0.7 1,-0.2 4,-0.5 0.933 117.0 51.1 -68.9 -43.1 -21.1 33.1 11.5 23 26 A L H 3< S+ 0 0 23 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.767 117.2 38.1 -63.5 -31.4 -18.1 31.9 13.6 24 27 A L H 3X S+ 0 0 2 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.394 89.8 91.2-106.0 4.8 -16.5 35.3 13.8 25 28 A K H S+ 0 0 9 2,-0.3 4,-0.9 -4,-0.2 -1,-0.2 0.835 110.4 50.0 -74.7 -39.3 -16.0 38.4 18.2 28 31 A Q H <>S+ 0 0 16 -4,-2.0 5,-3.4 2,-0.2 -2,-0.2 0.828 116.5 44.4 -68.8 -31.0 -16.0 41.0 15.5 29 32 A T H ><5S+ 0 0 88 -4,-2.3 3,-2.6 3,-0.2 -2,-0.3 0.964 108.8 56.2 -73.1 -49.3 -18.9 42.5 17.4 30 33 A E H 3<5S+ 0 0 125 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.653 115.7 38.8 -54.1 -18.2 -17.0 41.9 20.7 31 34 A Y T 3<5S- 0 0 59 -4,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.382 115.2-118.6-111.2 -2.8 -14.2 44.0 19.2 32 35 A G T < 5 + 0 0 63 -3,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.830 68.8 119.4 71.7 35.5 -16.4 46.5 17.5 33 36 A I < - 0 0 14 -5,-3.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.899 57.4-117.6-131.7 163.6 -15.5 46.0 13.9 34 37 A S > - 0 0 37 -2,-0.3 4,-1.1 1,-0.1 3,-0.3 -0.285 36.4-102.2 -86.9 176.2 -17.1 44.9 10.6 35 38 A A H > S+ 0 0 25 161,-0.5 4,-2.2 1,-0.2 162,-0.1 0.866 122.2 51.2 -68.5 -36.2 -16.3 41.8 8.6 36 39 A E H > S+ 0 0 53 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.676 107.8 52.6 -74.9 -19.2 -14.3 43.9 6.0 37 40 A Q H > S+ 0 0 21 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.740 108.5 51.9 -83.7 -25.1 -12.3 45.5 8.8 38 41 A S H >X S+ 0 0 4 -4,-1.1 4,-1.3 2,-0.2 3,-0.9 0.910 105.9 53.8 -73.7 -43.8 -11.6 42.0 10.0 39 42 A H H >X S+ 0 0 74 -4,-2.2 3,-1.0 1,-0.3 4,-1.0 0.943 104.4 55.3 -55.3 -49.4 -10.4 41.0 6.6 40 43 A V H 3X S+ 0 0 9 -4,-1.3 4,-0.7 1,-0.3 -1,-0.3 0.733 106.4 51.1 -57.1 -27.6 -8.0 43.9 6.5 41 44 A L H << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.749 101.5 63.1 -83.8 -23.3 -6.4 42.7 9.8 42 45 A N H << S+ 0 0 16 -4,-1.3 4,-0.3 -3,-1.0 -2,-0.2 0.736 103.7 43.5 -76.3 -22.8 -5.9 39.2 8.6 43 46 A M H >X S+ 0 0 3 -4,-1.0 4,-2.7 1,-0.2 3,-0.8 0.786 113.7 52.1 -86.2 -29.0 -3.5 39.9 5.7 44 47 A L T 3< S+ 0 0 10 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.2 0.455 96.3 71.0 -78.1 -1.3 -1.7 42.3 8.1 45 48 A S T 34 S+ 0 0 45 1,-0.0 -1,-0.3 48,-0.0 -2,-0.2 0.772 109.4 33.0 -81.3 -26.7 -1.7 39.2 10.3 46 49 A I T <4 S- 0 0 123 -3,-0.8 -2,-0.2 -4,-0.3 2,-0.1 0.931 137.2 -24.8 -84.1 -61.9 0.8 37.9 7.9 47 50 A E < - 0 0 107 -4,-2.7 2,-0.3 37,-0.0 -1,-0.1 -0.296 61.1 -98.3-129.6-154.9 2.5 41.2 6.9 48 51 A A + 0 0 48 -2,-0.1 2,-0.4 36,-0.1 36,-0.2 -0.948 39.1 171.4-143.5 115.3 2.2 44.9 6.6 49 52 A L - 0 0 21 34,-0.4 34,-0.1 -2,-0.3 -6,-0.0 -0.955 22.8-135.9-138.7 121.6 1.4 46.4 3.2 50 53 A T >> - 0 0 67 -2,-0.4 3,-1.2 32,-0.1 4,-0.7 -0.287 42.0 -73.4 -73.9 156.5 0.6 50.0 2.4 51 54 A V T >4 S+ 0 0 72 1,-0.2 3,-6.8 2,-0.2 2,-0.6 0.626 111.6 60.8 -8.2-123.0 -2.2 51.2 0.0 52 55 A G T 3> S+ 0 0 52 1,-0.3 4,-1.1 2,-0.2 3,-0.4 0.281 118.1 36.0 17.0 -61.0 -1.6 50.7 -3.7 53 56 A Q H <> S+ 0 0 103 -3,-1.2 4,-2.9 -2,-0.6 -1,-0.3 0.767 103.2 77.2 -78.6 -26.8 -1.4 46.9 -3.2 54 57 A I H S+ 0 0 43 -3,-0.4 4,-2.3 -4,-0.2 5,-0.3 0.741 112.8 65.8 -99.3 -30.9 -6.8 47.4 -3.2 56 59 A E H < S+ 0 0 96 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.957 105.7 42.9 -54.4 -54.2 -4.9 45.4 -5.8 57 60 A K H < S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.1 0.949 119.8 44.7 -57.4 -50.7 -5.2 42.2 -3.7 58 61 A Q H < S- 0 0 36 -4,-0.6 -2,-0.2 -5,-0.3 100,-0.1 0.983 84.1-146.2 -57.7 -71.7 -8.8 42.9 -2.8 59 62 A G < + 0 0 24 -4,-2.3 2,-0.8 1,-0.4 113,-0.2 0.296 60.5 124.4 110.1 -2.1 -10.4 44.0 -6.1 60 63 A V - 0 0 50 -5,-0.3 -1,-0.4 1,-0.1 5,-0.3 -0.837 62.9-118.1 -94.4 112.2 -12.7 46.3 -4.1 61 64 A N > - 0 0 103 -2,-0.8 3,-1.2 -3,-0.1 4,-0.4 0.354 52.8 -7.1 -51.6 174.8 -12.1 49.7 -5.7 62 65 A K T 3 S- 0 0 187 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.469 110.1 -31.7 -10.6 113.9 -10.9 53.2 -4.8 63 66 A A T 3> S+ 0 0 64 1,-0.2 4,-2.4 -3,-0.1 -1,-0.2 0.359 99.3 109.3 52.0 2.5 -9.9 54.3 -1.2 64 67 A A H <> S+ 0 0 26 -3,-1.2 4,-2.7 1,-0.2 5,-0.3 0.939 81.6 52.3 -65.5 -40.5 -12.5 52.1 0.5 65 68 A V H > S+ 0 0 10 -4,-0.4 4,-1.0 -5,-0.3 -1,-0.2 0.754 112.2 44.7 -61.5 -24.7 -9.4 50.1 1.6 66 69 A S H > S+ 0 0 34 2,-0.2 4,-2.1 3,-0.1 5,-0.3 0.785 107.5 59.8 -87.3 -30.3 -8.0 53.4 2.9 67 70 A R H X S+ 0 0 164 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.927 111.3 39.9 -58.8 -47.8 -11.4 54.2 4.4 68 71 A R H X S+ 0 0 64 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.838 108.2 66.0 -70.6 -34.5 -11.1 51.1 6.5 69 72 A V H X S+ 0 0 8 -4,-1.0 4,-1.8 -5,-0.3 -2,-0.2 0.925 109.9 33.0 -55.1 -53.4 -7.5 51.8 7.1 70 73 A K H X S+ 0 0 111 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.805 113.5 63.7 -73.6 -28.3 -8.0 54.9 9.2 71 74 A K H X S+ 0 0 95 -4,-1.3 4,-1.0 -5,-0.3 -2,-0.2 0.936 113.4 34.1 -56.2 -46.0 -11.2 53.4 10.5 72 75 A L H X>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 6,-0.9 0.749 110.3 63.3 -80.0 -30.4 -9.0 50.7 12.1 73 76 A L H <5S+ 0 0 37 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.857 102.5 54.6 -60.9 -35.8 -6.1 53.1 12.8 74 77 A N H <5S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 105.1 47.0 -65.6 -46.3 -8.6 54.8 15.0 75 78 A A H <5S- 0 0 32 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.676 113.9-127.2 -70.4 -11.6 -9.5 51.7 17.1 76 79 A E T <5S+ 0 0 133 -4,-0.8 12,-0.4 -6,-0.2 -3,-0.2 0.867 77.0 125.0 70.1 37.2 -5.7 51.5 17.1 77 80 A L S - 0 0 3 -9,-0.9 4,-1.6 -2,-0.4 5,-0.1 -0.034 29.4-101.5 -75.8 178.0 -0.6 46.8 16.5 87 101 A N H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.863 121.9 62.6 -65.9 -33.1 -0.5 44.6 19.7 88 102 A K H > S+ 0 0 93 -12,-0.4 4,-1.3 1,-0.2 3,-0.5 0.942 106.0 40.6 -57.7 -51.8 -4.2 45.3 19.8 89 103 A G H > S+ 0 0 0 -12,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.808 105.9 65.8 -69.7 -28.5 -5.0 43.5 16.5 90 104 A K H X S+ 0 0 141 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.877 100.8 50.5 -59.2 -39.3 -2.6 40.7 17.3 91 105 A K H X S+ 0 0 131 -4,-1.5 4,-2.1 -3,-0.5 -1,-0.2 0.942 108.5 52.4 -63.8 -48.2 -4.8 39.7 20.2 92 106 A Y H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 3,-0.3 0.954 108.2 50.7 -50.7 -58.5 -7.8 39.7 17.9 93 107 A I H X S+ 0 0 24 -4,-2.6 4,-4.0 1,-0.3 5,-0.2 0.815 105.8 54.6 -49.5 -42.7 -6.1 37.5 15.4 94 108 A K H X S+ 0 0 156 -4,-1.7 4,-3.0 1,-0.2 -1,-0.3 0.927 111.2 47.0 -59.4 -44.1 -5.1 34.9 18.0 95 109 A E H X S+ 0 0 74 -4,-2.1 4,-1.8 -3,-0.3 -2,-0.2 0.885 113.0 48.5 -65.6 -37.3 -8.8 34.8 19.0 96 110 A R H X S+ 0 0 19 -4,-2.3 4,-2.7 -5,-0.2 3,-0.3 0.980 113.8 46.1 -65.1 -54.3 -9.7 34.5 15.3 97 111 A K H X S+ 0 0 42 -4,-4.0 4,-2.8 1,-0.2 5,-0.3 0.871 109.1 56.4 -55.2 -40.1 -7.1 31.7 14.8 98 112 A A H X S+ 0 0 55 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 0.915 111.8 41.5 -60.6 -42.7 -8.3 29.9 18.0 99 113 A I H X S+ 0 0 50 -4,-1.8 4,-1.4 -3,-0.3 -2,-0.2 0.956 117.7 47.3 -68.4 -50.6 -11.9 29.7 16.8 100 114 A M H X S+ 0 0 15 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.940 112.8 47.2 -54.8 -56.8 -10.9 28.8 13.2 101 115 A S H X S+ 0 0 19 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.874 108.8 51.1 -58.2 -46.5 -8.4 26.1 14.1 102 116 A H H X S+ 0 0 135 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.837 114.1 46.0 -64.8 -29.2 -10.4 24.2 16.7 103 117 A I H X S+ 0 0 21 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.956 115.7 44.5 -73.9 -51.6 -13.4 24.0 14.2 104 118 A A H < S+ 0 0 30 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.804 114.5 51.7 -61.2 -31.4 -11.2 22.9 11.3 105 119 A S H >X S+ 0 0 60 -4,-2.5 4,-2.6 -5,-0.2 3,-1.7 0.961 108.3 50.0 -69.3 -51.3 -9.4 20.5 13.6 106 120 A D H 3< S+ 0 0 119 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.798 113.3 47.3 -55.5 -31.2 -12.7 19.0 14.7 107 121 A M T 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.473 120.6 36.6 -91.7 -2.2 -13.8 18.6 11.1 108 122 A T T X4 S+ 0 0 48 -3,-1.7 3,-2.1 -4,-0.3 -2,-0.2 0.613 83.6 99.0-122.9 -18.6 -10.5 17.0 10.0 109 123 A S T 3< S+ 0 0 94 -4,-2.6 -3,-0.1 1,-0.3 -2,-0.1 0.541 82.0 53.9 -50.5 -14.8 -9.5 14.9 12.9 110 124 A D T 3 S+ 0 0 95 -4,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.164 88.6 99.4-109.3 17.5 -10.7 11.6 11.5 111 125 A F S < S- 0 0 31 -3,-2.1 2,-0.6 2,-0.0 -3,-0.0 -0.764 82.0-107.4-104.0 150.8 -8.9 11.9 8.2 112 126 A D >> - 0 0 108 -2,-0.3 3,-2.7 1,-0.2 4,-1.3 -0.679 25.5-130.1 -80.6 118.4 -5.7 10.1 7.4 113 127 A S H 3> S+ 0 0 81 -2,-0.6 4,-1.9 1,-0.3 5,-0.2 0.736 109.1 62.5 -34.0 -32.5 -3.0 12.7 7.3 114 128 A K H 3> S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.918 102.5 48.2 -65.2 -43.6 -2.0 11.3 4.0 115 129 A E H <> S+ 0 0 52 -3,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.934 111.9 48.2 -63.3 -47.7 -5.4 12.2 2.5 116 130 A I H X S+ 0 0 23 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.833 109.4 52.8 -61.6 -36.5 -5.2 15.8 3.8 117 131 A E H X S+ 0 0 101 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.2 0.865 106.3 52.8 -68.1 -38.8 -1.7 16.4 2.6 118 132 A K H X S+ 0 0 46 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.828 110.1 49.2 -66.6 -31.8 -2.6 15.3 -0.9 119 133 A V H X S+ 0 0 13 -4,-1.3 4,-2.4 2,-0.2 3,-0.3 0.948 111.9 48.1 -68.9 -48.7 -5.5 17.8 -0.8 120 134 A R H X S+ 0 0 33 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.905 110.5 52.8 -54.8 -48.0 -3.0 20.5 0.4 121 135 A Q H X S+ 0 0 112 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.808 110.3 47.1 -62.9 -32.8 -0.6 19.5 -2.4 122 136 A V H X S+ 0 0 14 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.887 115.1 43.5 -77.9 -39.1 -3.3 19.8 -5.1 123 137 A L H X S+ 0 0 12 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.843 112.1 57.1 -71.3 -33.3 -4.6 23.2 -3.9 124 138 A E H X S+ 0 0 86 -4,-2.6 4,-1.1 -5,-0.3 -2,-0.2 0.871 109.4 42.9 -64.4 -39.8 -0.9 24.2 -3.5 125 139 A I H X S+ 0 0 63 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.818 114.6 50.9 -76.4 -30.3 -0.2 23.5 -7.1 126 140 A I H X S+ 0 0 35 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.891 109.4 50.6 -71.4 -36.7 -3.4 25.1 -8.2 127 141 A D H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.802 107.1 56.4 -68.6 -28.3 -2.5 28.2 -6.1 128 142 A Y H X S+ 0 0 168 -4,-1.1 4,-2.2 2,-0.2 5,-0.2 0.961 109.1 43.2 -67.5 -53.8 0.9 28.2 -7.8 129 143 A R H X S+ 0 0 48 -4,-1.8 4,-3.4 2,-0.2 5,-0.2 0.917 112.9 55.5 -57.1 -43.6 -0.6 28.4 -11.3 130 144 A I H X S+ 0 0 10 -4,-2.2 4,-3.4 2,-0.2 -2,-0.2 0.962 109.3 44.3 -54.1 -58.7 -3.1 31.0 -10.1 131 145 A Q H X S+ 0 0 75 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.943 115.5 47.6 -51.4 -55.8 -0.5 33.4 -8.7 132 146 A S H X S+ 0 0 42 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.940 113.5 48.1 -53.7 -50.7 1.7 33.0 -11.8 133 147 A Y H >< S+ 0 0 78 -4,-3.4 3,-1.1 -5,-0.2 -1,-0.2 0.927 111.0 51.4 -57.6 -45.2 -1.2 33.6 -14.1 134 148 A T H 3< S+ 0 0 20 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.985 102.8 58.5 -52.6 -62.1 -2.3 36.6 -12.1 135 149 A S H 3< S+ 0 0 83 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.681 84.2 77.0 -41.9 -26.0 1.2 38.0 -12.4 136 150 A K << 0 0 161 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.1 0.044 360.0 360.0 -74.0 32.4 0.7 37.9 -16.1 137 151 A L 0 0 157 -5,-0.1 -2,-0.2 0, 0.0 -3,-0.2 0.790 360.0 360.0 29.0 360.0 -1.2 40.9 -14.9 138 !* 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 0.0 139 5 B I 0 0 154 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.6 -2.0 22.0 11.3 140 6 B E + 0 0 107 2,-0.1 4,-0.4 3,-0.1 -39,-0.1 -0.103 360.0 79.2-134.5 18.3 -3.1 25.7 11.4 141 7 B D S >> S+ 0 0 92 2,-0.2 4,-2.9 3,-0.1 3,-0.5 0.832 89.9 52.1 -87.5 -51.8 -0.8 26.0 8.5 142 8 B H H 3> S+ 0 0 62 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.869 105.8 53.0 -52.2 -44.6 -3.6 24.5 6.4 143 9 B I H 3> S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.865 112.1 45.4 -63.2 -35.1 -6.0 27.1 7.7 144 10 B S H <> S+ 0 0 53 -3,-0.5 4,-2.7 -4,-0.4 -2,-0.2 0.911 112.1 51.4 -74.1 -40.1 -3.6 29.8 6.7 145 11 B F H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.933 110.1 49.9 -59.5 -46.7 -3.0 28.2 3.3 146 12 B L H X S+ 0 0 30 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.910 110.9 48.1 -59.0 -46.4 -6.7 28.0 2.6 147 13 B E H X S+ 0 0 35 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.958 114.4 46.3 -59.8 -48.8 -7.3 31.6 3.5 148 14 B K H X S+ 0 0 93 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.821 112.4 52.1 -59.2 -36.1 -4.4 32.6 1.3 149 15 B F H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.831 109.2 48.2 -69.0 -40.8 -5.7 30.3 -1.5 150 16 B I H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.878 110.4 52.9 -68.8 -39.8 -9.2 31.8 -1.3 151 17 B N H X S+ 0 0 31 -4,-2.2 4,-2.9 -5,-0.2 3,-0.3 0.950 109.9 47.9 -59.5 -50.6 -7.7 35.3 -1.4 152 18 B D H X S+ 0 0 25 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.888 110.5 51.7 -58.4 -42.7 -5.7 34.3 -4.6 153 19 B V H X S+ 0 0 21 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.820 111.7 46.7 -64.5 -32.8 -8.8 32.9 -6.2 154 20 B N H X S+ 0 0 64 -4,-1.8 4,-2.9 -3,-0.3 5,-0.2 0.940 109.7 53.4 -75.1 -47.3 -10.8 36.0 -5.5 155 21 B T H X S+ 0 0 17 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.879 112.6 44.9 -54.4 -38.0 -8.0 38.2 -6.8 156 22 B L H X S+ 0 0 14 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.865 113.4 49.6 -73.6 -36.6 -7.9 36.2 -10.1 157 23 B T H X S+ 0 0 20 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.890 107.2 54.9 -69.1 -41.0 -11.7 36.2 -10.4 158 24 B A H < S+ 0 0 25 -4,-2.9 3,-0.3 2,-0.2 -2,-0.2 0.961 115.1 38.5 -56.8 -55.7 -11.9 40.0 -9.9 159 25 B K H >< S+ 0 0 67 -4,-1.5 3,-1.8 1,-0.2 4,-0.4 0.934 113.8 53.2 -62.5 -51.1 -9.5 40.7 -12.7 160 26 B L H 3< S+ 0 0 39 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.725 116.9 41.6 -56.8 -23.9 -10.7 38.0 -15.1 161 27 B L T 3X S+ 0 0 0 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.3 0.287 80.0 108.1-109.0 10.4 -14.2 39.4 -14.7 162 28 B K H <> S+ 0 0 107 -3,-1.8 4,-1.6 1,-0.2 -1,-0.1 0.893 84.5 41.5 -54.6 -43.4 -13.4 43.1 -14.8 163 29 B D H > S+ 0 0 126 -4,-0.4 4,-3.5 2,-0.2 5,-0.3 0.975 110.0 51.0 -73.3 -55.6 -14.9 43.6 -18.2 164 30 B L H > S+ 0 0 13 -4,-0.3 4,-0.9 1,-0.2 6,-0.2 0.837 113.2 50.6 -51.1 -36.1 -18.1 41.5 -18.1 165 31 B Q H X>S+ 0 0 18 -4,-1.7 4,-0.7 2,-0.2 5,-0.6 0.929 113.4 43.7 -65.5 -47.9 -18.9 43.4 -14.9 166 32 B T H ><5S+ 0 0 78 -4,-1.6 3,-1.6 -5,-0.2 -2,-0.2 0.953 109.4 56.1 -59.8 -53.3 -18.3 46.7 -16.5 167 33 B E H 3<5S+ 0 0 131 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.746 114.4 43.3 -51.8 -26.2 -20.2 45.7 -19.7 168 34 B Y H 3<5S- 0 0 58 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.535 107.1-118.4-101.1 -8.4 -23.1 45.0 -17.3 169 35 B G T <<5S+ 0 0 71 -3,-1.6 -3,-0.2 -4,-0.7 -4,-0.1 0.086 71.0 140.6 91.1 -25.5 -23.1 48.0 -14.9 170 36 B I < - 0 0 14 -5,-0.6 -1,-0.3 -6,-0.2 2,-0.2 0.006 46.1-140.3 -49.4 149.6 -22.4 45.4 -12.2 171 37 B S >> - 0 0 31 1,-0.1 4,-1.6 -3,-0.1 3,-0.7 -0.642 27.1-109.8-106.5 168.9 -20.1 45.8 -9.3 172 38 B A H >> S+ 0 0 28 1,-0.2 4,-2.1 -2,-0.2 3,-1.1 0.986 120.1 51.7 -63.5 -54.7 -17.8 43.1 -8.0 173 39 B E H 3> S+ 0 0 52 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.588 112.2 50.4 -57.4 -9.6 -19.8 42.6 -4.7 174 40 B Q H <> S+ 0 0 19 -3,-0.7 4,-1.9 2,-0.2 -1,-0.3 0.724 103.0 55.9 -99.0 -30.7 -22.8 42.3 -7.0 175 41 B S H < S+ 0 0 25 -4,-1.0 3,-1.0 -3,-0.3 4,-0.5 0.775 107.8 56.8 -89.5 -28.6 -23.1 34.0 -8.3 180 46 B M H >X S+ 0 0 6 -4,-2.3 4,-1.6 1,-0.3 3,-1.0 0.866 108.1 49.0 -67.1 -35.3 -24.5 33.1 -4.8 181 47 B L T 3< S+ 0 0 11 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.437 92.8 79.5 -80.9 -1.7 -27.9 33.0 -6.4 182 48 B S T <4 S+ 0 0 46 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.776 105.0 31.4 -75.6 -24.7 -26.3 30.9 -9.0 183 49 B I T <4 S+ 0 0 80 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.834 131.3 0.4-100.3 -43.1 -26.6 28.0 -6.6 184 50 B E < - 0 0 85 -4,-1.6 -1,-0.3 39,-0.1 2,-0.1 -0.996 69.3-103.5-151.0 155.8 -29.7 28.8 -4.5 185 51 B A + 0 0 47 -2,-0.3 2,-0.2 -3,-0.1 38,-0.2 -0.389 47.3 177.6 -70.3 152.0 -32.5 31.4 -4.1 186 52 B L B -B 222 0B 2 36,-0.9 36,-1.9 -2,-0.1 2,-0.3 -0.685 29.9-125.6-141.5-166.9 -32.2 33.8 -1.2 187 53 B T > - 0 0 53 -2,-0.2 4,-2.4 34,-0.2 5,-0.3 -0.920 43.0-104.1-140.1 156.2 -33.5 36.7 0.9 188 54 B V H > S+ 0 0 26 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.878 125.4 54.6 -53.9 -33.0 -31.5 39.8 1.8 189 55 B G H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.952 107.1 46.4 -64.7 -49.2 -31.3 38.2 5.2 190 56 B Q H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.886 113.0 49.7 -61.5 -40.0 -29.8 35.0 4.0 191 57 B I H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.818 111.0 51.0 -66.7 -31.9 -27.3 36.7 1.7 192 58 B T H X S+ 0 0 24 -4,-1.5 4,-1.0 -5,-0.3 -1,-0.2 0.683 112.0 46.1 -79.8 -21.7 -26.3 38.9 4.7 193 59 B E H < S+ 0 0 111 -4,-1.4 3,-0.4 -3,-0.2 -2,-0.2 0.920 114.1 47.0 -79.8 -56.3 -25.8 35.9 7.0 194 60 B K T < S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.1 0.559 123.9 35.3 -60.5 -8.6 -23.9 34.0 4.4 195 61 B Q T 4 S- 0 0 38 -4,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 0.548 90.0-141.2-124.4 -16.7 -21.8 37.1 3.7 196 62 B G < + 0 0 14 -4,-1.0 -161,-0.5 -3,-0.4 2,-0.4 0.658 55.9 125.1 62.4 22.3 -21.4 38.9 7.1 197 63 B V S S- 0 0 24 -5,-0.2 5,-0.2 -162,-0.1 -1,-0.2 -0.893 74.7 -76.9-114.5 143.8 -21.7 42.5 5.8 198 64 B N >> - 0 0 126 -2,-0.4 3,-1.9 1,-0.1 4,-0.9 -0.072 42.8-123.7 -42.6 120.7 -24.2 45.0 7.1 199 65 B K H 3> S+ 0 0 119 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.661 104.8 64.1 -34.6 -41.4 -27.7 44.3 5.7 200 66 B A H 3> S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.900 101.3 51.4 -55.8 -45.1 -28.2 47.8 4.2 201 67 B A H <> S+ 0 0 22 -3,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.899 110.4 47.5 -58.5 -45.6 -25.3 47.2 1.8 202 68 B V H X S+ 0 0 1 -4,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.796 113.0 51.9 -65.1 -29.7 -26.8 43.9 0.7 203 69 B S H X S+ 0 0 35 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.851 103.7 56.0 -76.1 -36.8 -30.1 45.8 0.3 204 70 B R H X S+ 0 0 122 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.929 116.6 35.4 -63.6 -40.1 -28.5 48.5 -1.8 205 71 B R H X S+ 0 0 45 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.800 107.7 65.5 -83.9 -32.7 -27.3 46.0 -4.3 206 72 B V H X S+ 0 0 11 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.909 110.6 37.2 -57.4 -44.5 -30.2 43.6 -4.1 207 73 B K H X S+ 0 0 134 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.627 108.9 62.1 -83.7 -12.3 -32.5 46.2 -5.5 208 74 B K H X S+ 0 0 107 -4,-0.5 4,-0.7 -3,-0.2 -1,-0.2 0.801 106.9 49.4 -77.8 -24.1 -30.0 47.7 -8.0 209 75 B L H <>S+ 0 0 3 -4,-1.7 5,-2.2 2,-0.2 6,-0.8 0.809 107.8 50.6 -83.3 -28.7 -30.0 44.3 -9.4 210 76 B L H ><5S+ 0 0 61 -4,-0.8 3,-1.8 1,-0.2 -2,-0.2 0.890 106.5 55.0 -74.1 -42.6 -33.8 44.0 -9.6 211 77 B N H 3<5S+ 0 0 143 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 109.7 48.9 -60.0 -26.8 -33.9 47.3 -11.4 212 78 B A T 3<5S- 0 0 43 -4,-0.7 -1,-0.3 -5,-0.1 -2,-0.2 0.390 112.0-122.5 -94.2 1.5 -31.5 45.8 -13.9 213 79 B E T < 5S+ 0 0 124 -3,-1.8 15,-0.2 2,-0.1 -3,-0.2 0.936 77.6 121.1 56.4 50.0 -33.6 42.7 -14.3 214 80 B L S > - 0 0 13 -11,-2.0 4,-2.6 -2,-0.3 3,-0.7 -0.604 40.5 -99.9-105.7 170.2 -33.5 36.1 -15.1 226 101 B N H 3>>S+ 0 0 117 1,-0.3 4,-4.0 2,-0.3 5,-0.7 0.969 125.0 59.1 -54.0 -55.7 -31.7 35.1 -18.3 227 102 B K H 3>5S+ 0 0 110 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.842 113.2 41.2 -42.3 -34.0 -29.8 38.3 -18.3 228 103 B G H <>5S+ 0 0 0 -3,-0.7 4,-1.6 -14,-0.2 -1,-0.3 0.860 118.8 44.6 -82.2 -36.6 -28.6 37.1 -14.9 229 104 B K H X5S+ 0 0 135 -4,-2.6 4,-2.5 2,-0.2 3,-0.3 0.966 111.4 52.2 -67.7 -53.5 -28.2 33.5 -16.1 230 105 B K H X5S+ 0 0 128 -4,-4.0 4,-1.7 1,-0.3 -1,-0.2 0.775 109.4 51.9 -53.4 -31.2 -26.5 34.5 -19.3 231 106 B Y H XX S+ 0 0 50 -4,-1.4 4,-1.5 2,-0.2 3,-0.7 0.968 118.1 49.7 -66.9 -52.3 -14.1 32.6 -18.8 239 114 B M H 3X S+ 0 0 20 -4,-1.9 4,-1.9 1,-0.3 3,-0.3 0.915 110.6 47.8 -51.7 -51.8 -13.7 30.6 -15.6 240 115 B S H 3X S+ 0 0 47 -4,-3.2 4,-1.1 1,-0.2 -1,-0.3 0.758 107.9 61.1 -64.7 -22.8 -13.8 27.2 -17.4 241 116 B H H X S+ 0 0 53 -4,-1.1 3,-2.9 -5,-0.2 4,-0.6 0.983 103.6 61.2 -67.4 -57.8 -8.6 24.2 -18.0 245 120 B D H 3< S+ 0 0 91 -4,-1.5 3,-0.3 1,-0.3 -2,-0.2 0.771 111.8 39.8 -36.6 -41.1 -5.4 25.9 -19.2 246 121 B M T 3< S+ 0 0 23 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.094 115.7 47.0-105.1 24.4 -3.8 25.1 -15.8 247 122 B T T X4 S+ 0 0 31 -3,-2.9 3,-1.0 -5,-0.1 -2,-0.2 0.147 73.4 110.0-143.5 13.7 -5.1 21.6 -15.1 248 123 B S T 3< S+ 0 0 100 -4,-0.6 -2,-0.1 -3,-0.3 -3,-0.1 0.799 83.7 45.2 -64.3 -28.1 -4.5 20.1 -18.5 249 124 B D T 3 S+ 0 0 108 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.454 88.3 113.7 -97.1 -0.7 -1.8 17.9 -17.0 250 125 B F S < S- 0 0 48 -3,-1.0 2,-0.6 1,-0.1 -3,-0.1 -0.288 70.7-115.1 -70.2 156.0 -3.6 16.8 -13.9 251 126 B D > - 0 0 88 1,-0.1 4,-2.0 -2,-0.0 3,-0.2 -0.832 16.9-143.2 -94.2 117.8 -4.6 13.1 -13.3 252 127 B S H > S+ 0 0 77 -2,-0.6 4,-1.5 1,-0.2 -1,-0.1 0.773 100.0 48.7 -52.5 -30.6 -8.4 12.8 -13.2 253 128 B K H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.893 106.1 53.8 -78.7 -41.0 -8.2 10.1 -10.5 254 129 B E H > S+ 0 0 97 -3,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.859 112.9 47.9 -58.9 -32.8 -5.9 12.1 -8.2 255 130 B I H X S+ 0 0 27 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.866 105.0 59.0 -74.8 -36.3 -8.5 14.8 -8.6 256 131 B E H X S+ 0 0 95 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.930 107.9 43.1 -60.3 -47.7 -11.4 12.4 -7.8 257 132 B K H X S+ 0 0 80 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.872 114.2 52.4 -66.0 -35.4 -10.1 11.4 -4.4 258 133 B V H X S+ 0 0 10 -4,-1.1 4,-2.1 -5,-0.3 3,-0.3 0.931 108.4 52.3 -62.7 -44.9 -9.2 15.0 -3.6 259 134 B R H X S+ 0 0 41 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