==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 05-NOV-12 4HV5 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR MNTR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR A.GLASFELD,M.B.BROPHY,J.I.KLIEGMAN,S.L.GRINER . 253 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 79.1 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.6 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 0 0 1 1 0 2 2 0 2 0 4 0 0 0 0 0 0 0 1 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 2 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 . 2 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 A S > 0 0 104 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -23.2 12.6 10.8 35.5 2 6 A M H > + 0 0 42 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.908 360.0 43.8 -50.8 -44.5 15.2 13.5 35.1 3 7 A E H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 109.5 55.9 -71.5 -36.6 14.6 13.5 31.3 4 8 A D H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 109.9 46.7 -61.3 -42.3 10.8 13.3 31.7 5 9 A Y H X S+ 0 0 13 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.901 112.4 47.6 -65.7 -44.8 10.9 16.5 33.9 6 10 A I H X S+ 0 0 5 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.881 110.8 52.3 -68.0 -36.6 13.2 18.5 31.6 7 11 A E H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.952 114.9 43.8 -58.7 -48.6 11.0 17.5 28.6 8 12 A Q H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 113.1 48.3 -63.0 -50.7 8.0 18.8 30.5 9 13 A I H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.948 113.1 50.2 -58.3 -46.2 9.6 22.0 31.8 10 14 A Y H X S+ 0 0 32 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.940 110.4 49.2 -55.1 -50.8 10.9 22.7 28.3 11 15 A M H X S+ 0 0 69 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.871 111.6 48.7 -60.0 -40.6 7.4 22.2 26.7 12 16 A L H X>S+ 0 0 13 -4,-2.3 4,-3.8 2,-0.2 5,-1.0 0.933 109.1 51.1 -68.6 -45.6 5.7 24.4 29.2 13 17 A I H X5S+ 0 0 40 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.912 113.9 46.3 -57.7 -39.3 8.1 27.3 28.9 14 18 A E H <5S+ 0 0 125 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.854 118.7 42.6 -68.1 -36.0 7.5 27.0 25.1 15 19 A E H <5S+ 0 0 142 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.926 136.1 7.9 -75.6 -47.9 3.8 26.8 25.6 16 20 A K H <5S- 0 0 84 -4,-3.8 -3,-0.2 2,-0.4 -2,-0.1 0.682 97.5-107.7-112.6 -26.5 3.1 29.4 28.3 17 21 A G S <> - 0 0 124 -2,-0.5 4,-2.5 1,-0.1 3,-0.5 -0.533 23.4-127.9 -74.9 138.2 4.7 26.5 37.2 21 25 A V H 3> S+ 0 0 67 1,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.901 112.5 50.8 -50.7 -44.0 5.3 23.9 39.8 22 26 A S H 3> S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.838 108.8 51.6 -65.6 -33.0 1.6 22.9 39.7 23 27 A D H <> S+ 0 0 23 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.889 111.7 45.5 -70.9 -41.5 1.7 22.7 35.9 24 28 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.969 112.7 52.6 -60.1 -51.3 4.8 20.3 36.0 25 29 A A H X>S+ 0 0 0 -4,-2.9 5,-2.5 -5,-0.2 4,-0.7 0.864 113.5 43.4 -52.7 -41.8 3.0 18.4 38.8 26 30 A E H ><5S+ 0 0 141 -4,-2.0 3,-0.5 3,-0.2 -1,-0.2 0.909 110.8 52.4 -74.4 -42.9 -0.1 18.0 36.6 27 31 A A H 3<5S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.830 117.6 39.2 -61.8 -31.6 1.6 17.1 33.4 28 32 A L H 3<5S- 0 0 41 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.534 106.9-122.8 -97.4 -8.7 3.6 14.4 35.1 29 33 A A T <<5 + 0 0 92 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.953 69.3 124.1 62.6 49.5 0.8 13.1 37.3 30 34 A V < - 0 0 51 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.893 67.4 -94.1-132.0 166.4 2.8 13.6 40.5 31 35 A H >> - 0 0 124 -2,-0.3 4,-1.4 1,-0.1 3,-1.3 -0.579 36.7-116.9 -79.3 144.0 2.4 15.5 43.8 32 36 A P H 3> S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.814 113.5 61.2 -47.4 -39.6 3.9 19.0 43.9 33 37 A S H 3> S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.860 101.4 52.9 -60.5 -37.3 6.4 18.0 46.7 34 38 A S H <> S+ 0 0 50 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.925 107.5 52.7 -60.1 -44.9 7.9 15.4 44.3 35 39 A V H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.944 106.2 53.2 -54.4 -53.3 8.3 18.3 41.8 36 40 A T H X S+ 0 0 81 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.957 107.8 50.3 -43.9 -62.8 10.1 20.4 44.4 37 41 A K H X S+ 0 0 124 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.882 113.7 44.8 -46.4 -49.6 12.6 17.6 45.1 38 42 A M H X S+ 0 0 24 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.909 109.3 55.3 -67.3 -42.3 13.4 17.1 41.5 39 43 A V H X S+ 0 0 25 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.918 106.6 50.9 -55.6 -44.9 13.7 20.8 40.7 40 44 A Q H X S+ 0 0 115 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.806 111.8 49.6 -63.6 -27.4 16.3 21.2 43.5 41 45 A K H X S+ 0 0 102 -4,-1.1 4,-2.0 -3,-0.4 -2,-0.2 0.865 109.8 48.4 -77.8 -39.8 18.2 18.3 41.8 42 46 A L H <>S+ 0 0 0 -4,-2.6 5,-3.5 2,-0.2 6,-1.0 0.776 112.0 51.5 -69.2 -27.7 18.0 19.8 38.3 43 47 A D H ><5S+ 0 0 52 -4,-1.9 3,-0.9 -5,-0.3 -2,-0.2 0.852 108.1 51.3 -75.1 -38.8 19.3 23.1 39.9 44 48 A K H 3<5S+ 0 0 136 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 111.7 46.5 -62.6 -42.7 22.2 21.2 41.5 45 49 A D T 3<5S- 0 0 71 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.312 118.5-115.8 -87.0 9.3 23.1 19.6 38.2 46 50 A E T < 5S+ 0 0 131 -3,-0.9 13,-0.3 2,-0.2 12,-0.3 0.763 78.9 125.7 68.8 29.2 22.8 23.1 36.6 47 51 A Y S - 0 0 33 -9,-1.5 4,-2.4 -2,-0.3 3,-0.2 -0.311 37.1 -95.1 -71.1 168.5 20.2 27.1 31.7 57 64 A S H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.836 130.2 55.4 -55.9 -31.6 21.7 26.7 28.2 58 65 A K H > S+ 0 0 85 -12,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.904 109.4 43.8 -69.1 -43.3 22.5 23.2 29.3 59 66 A G H > S+ 0 0 0 -13,-0.3 4,-2.1 -12,-0.3 -2,-0.2 0.784 111.6 55.5 -72.7 -29.4 18.9 22.4 30.2 60 67 A K H X S+ 0 0 104 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.966 105.0 50.4 -66.6 -54.7 17.7 24.1 27.0 61 68 A K H X S+ 0 0 141 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.885 114.9 45.0 -48.9 -43.1 19.8 21.9 24.7 62 69 A I H X S+ 0 0 48 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.911 111.4 51.5 -72.9 -43.6 18.5 18.8 26.4 63 70 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.924 111.4 48.5 -53.9 -47.3 14.9 19.9 26.4 64 71 A K H X S+ 0 0 141 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.886 111.5 50.0 -64.2 -37.5 15.1 20.6 22.7 65 72 A R H X S+ 0 0 151 -4,-1.8 4,-2.9 -5,-0.3 -2,-0.2 0.933 111.1 49.0 -64.3 -46.5 16.7 17.2 22.1 66 73 A L H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.864 110.8 48.3 -65.8 -39.6 14.0 15.4 24.1 67 74 A V H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.901 113.0 50.8 -66.1 -37.9 11.2 17.2 22.3 68 75 A Y H X S+ 0 0 109 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.930 109.7 48.8 -64.8 -43.6 12.9 16.3 19.1 69 76 A R H X S+ 0 0 14 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.898 112.5 49.3 -62.0 -40.4 13.2 12.5 20.1 70 77 A H H X S+ 0 0 11 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.952 113.3 44.2 -64.6 -50.1 9.6 12.4 21.0 71 78 A E H X S+ 0 0 100 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.878 113.0 51.8 -64.6 -39.4 8.3 14.0 17.9 72 79 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.907 110.5 48.6 -63.3 -42.3 10.6 11.9 15.7 73 80 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.884 110.9 49.8 -67.9 -38.2 9.4 8.7 17.4 74 81 A E H X S+ 0 0 23 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.948 112.4 48.5 -59.2 -47.9 5.7 9.6 17.0 75 82 A Q H X S+ 0 0 71 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.901 110.7 50.9 -59.8 -44.6 6.4 10.3 13.3 76 83 A F H X S+ 0 0 7 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.948 113.1 44.1 -59.1 -49.8 8.2 7.0 12.8 77 84 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 4,-0.3 0.890 114.3 51.6 -66.2 -33.1 5.4 5.0 14.4 78 85 A R H ><5S+ 0 0 101 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.949 108.7 50.0 -67.1 -47.3 2.8 7.0 12.4 79 86 A I H 3<5S+ 0 0 28 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.897 107.5 52.5 -58.1 -42.7 4.6 6.4 9.1 80 87 A I T 3<5S- 0 0 1 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.475 124.2-104.7 -79.8 1.4 4.9 2.6 9.6 81 88 A G T < 5 + 0 0 21 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.690 57.9 164.7 92.7 23.5 1.1 2.6 10.3 82 89 A V < - 0 0 7 -5,-2.7 -1,-0.2 1,-0.1 2,-0.1 -0.458 53.9 -91.4 -66.9 142.7 0.7 2.2 14.0 83 90 A D >> - 0 0 90 1,-0.1 3,-2.4 -2,-0.1 4,-0.9 -0.381 34.9-129.2 -54.6 125.1 -2.8 3.0 15.2 84 91 A E H >> S+ 0 0 91 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.840 106.4 58.9 -49.6 -39.8 -2.7 6.7 16.2 85 92 A E H 34 S+ 0 0 168 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.749 107.7 46.1 -62.2 -24.2 -4.2 6.0 19.6 86 93 A K H <> S+ 0 0 97 -3,-2.4 4,-1.7 1,-0.1 -1,-0.2 0.609 93.5 81.3 -93.6 -13.3 -1.3 3.6 20.5 87 94 A I H S+ 0 0 118 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.847 113.2 52.5 -64.9 -35.2 2.1 5.4 24.9 90 97 A D H X S+ 0 0 10 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.929 112.2 45.5 -63.2 -44.0 4.5 3.4 22.7 91 98 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 3,-0.2 0.940 110.2 52.2 -65.2 -48.9 6.8 6.5 22.3 92 99 A E H < S+ 0 0 61 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.841 111.6 50.0 -53.8 -36.0 6.8 7.4 26.0 93 100 A G H < S+ 0 0 19 -4,-1.3 -1,-0.2 133,-0.2 -2,-0.2 0.844 123.1 25.7 -76.8 -35.9 7.8 3.9 26.9 94 101 A I H >< S+ 0 0 6 -4,-1.7 3,-2.0 -3,-0.2 4,-0.3 0.696 96.4 89.8 -97.9 -21.9 10.7 3.5 24.5 95 102 A E G >< S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.3 -3,-0.1 0.748 92.1 40.0 -60.0 -34.0 11.9 7.1 23.9 96 103 A H G 3 S+ 0 0 35 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.460 108.7 63.5 -95.3 1.8 14.5 7.4 26.8 97 104 A H G < S+ 0 0 92 -3,-2.0 2,-0.4 2,-0.1 125,-0.2 0.246 82.1 94.8-107.6 7.3 15.8 3.8 26.3 98 105 A L S < S- 0 0 11 -3,-0.5 2,-0.0 -4,-0.3 121,-0.0 -0.838 72.9-123.2-104.9 139.6 17.2 4.2 22.8 99 106 A S > - 0 0 18 -2,-0.4 4,-2.2 116,-0.2 3,-0.2 -0.361 28.9-112.2 -68.1 159.3 20.8 5.1 21.9 100 107 A W H > S+ 0 0 100 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.850 118.3 62.5 -61.5 -34.1 21.4 8.1 19.8 101 108 A N H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 106.0 43.8 -54.9 -50.0 22.6 5.8 17.1 102 109 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 113.1 52.0 -60.9 -46.1 19.1 4.2 16.9 103 110 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.948 111.9 45.8 -55.9 -49.4 17.4 7.6 17.1 104 111 A D H X S+ 0 0 77 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.874 112.3 50.1 -66.9 -33.9 19.5 8.9 14.2 105 112 A R H X S+ 0 0 59 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.868 110.7 49.5 -70.9 -36.1 18.9 5.8 12.1 106 113 A I H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.902 107.6 56.8 -63.4 -39.7 15.2 6.1 12.8 107 114 A G H X S+ 0 0 12 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.908 108.4 45.7 -54.5 -44.1 15.7 9.7 11.7 108 115 A D H X S+ 0 0 37 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.864 110.9 52.4 -69.8 -37.6 17.1 8.5 8.4 109 116 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.943 108.4 50.7 -63.2 -49.1 14.3 5.9 7.9 110 117 A V H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.925 110.9 49.1 -50.2 -48.1 11.7 8.6 8.5 111 118 A Q H X S+ 0 0 87 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.899 104.6 61.3 -61.6 -39.1 13.4 10.7 5.9 112 119 A Y H < S+ 0 0 2 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.930 110.9 37.3 -49.2 -52.0 13.5 7.7 3.6 113 120 A F H >< S+ 0 0 2 -4,-1.9 3,-1.0 1,-0.2 7,-0.4 0.858 114.4 54.9 -74.0 -33.7 9.7 7.5 3.5 114 121 A E H 3< S+ 0 0 94 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.738 99.1 64.6 -70.5 -23.0 9.1 11.2 3.5 115 122 A E T 3< S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.3 2,-0.2 0.521 115.7 17.9 -80.9 -8.3 11.3 11.6 0.4 116 123 A D X> - 0 0 78 -3,-1.0 3,-2.0 -4,-0.2 4,-0.8 -0.677 61.1-152.1-168.0 106.3 9.1 9.6 -1.9 117 124 A D H 3> S+ 0 0 85 1,-0.3 4,-2.3 -3,-0.2 3,-0.2 0.741 92.7 72.3 -54.1 -26.0 5.4 8.8 -1.3 118 125 A A H 3> S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.822 93.3 55.2 -61.1 -32.8 5.8 5.6 -3.4 119 126 A R H <> S+ 0 0 39 -3,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.887 106.5 50.2 -66.6 -39.7 7.8 4.1 -0.6 120 127 A K H X S+ 0 0 66 -4,-0.8 4,-2.2 -7,-0.4 -2,-0.2 0.937 111.2 50.2 -62.0 -43.9 5.0 4.8 1.7 121 128 A K H X S+ 0 0 122 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.900 109.1 50.3 -60.5 -44.0 2.6 3.1 -0.8 122 129 A D H X S+ 0 0 65 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.867 109.5 50.7 -65.3 -38.1 4.8 0.0 -1.1 123 130 A L H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.925 107.4 53.5 -62.9 -44.9 5.0 -0.5 2.6 124 131 A K H < S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 105.2 56.8 -59.3 -32.3 1.2 -0.2 2.8 125 132 A S H < S+ 0 0 92 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.910 102.3 52.8 -64.1 -45.2 1.1 -2.9 0.2 126 133 A I H < 0 0 41 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.928 360.0 360.0 -57.3 -45.6 3.2 -5.3 2.4 127 134 A Q < 0 0 75 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.920 360.0 360.0 -60.5 360.0 0.7 -4.7 5.1 128 !* 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 0.0 129 4 B P 0 0 75 0, 0.0 2,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 170.3 13.5 -7.5 36.0 130 5 B S > - 0 0 51 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.304 360.0-101.9 -81.3 170.0 9.8 -7.7 34.8 131 6 B M H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 124.2 52.0 -54.4 -43.5 7.7 -10.8 34.5 132 7 B E H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.860 103.3 56.8 -65.3 -38.5 8.3 -10.9 30.8 133 8 B D H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 110.2 46.3 -56.0 -46.6 12.1 -10.7 31.2 134 9 B Y H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.946 112.0 47.7 -64.0 -51.0 11.9 -13.8 33.3 135 10 B I H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.915 111.6 54.4 -55.3 -40.7 9.6 -15.7 31.0 136 11 B E H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.921 113.2 39.2 -59.8 -49.7 12.0 -14.7 28.1 137 12 B Q H X S+ 0 0 21 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.840 115.3 52.7 -69.3 -37.1 15.1 -16.0 29.8 138 13 B I H X S+ 0 0 1 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.890 110.0 47.9 -67.8 -39.1 13.4 -19.2 31.2 139 14 B Y H X S+ 0 0 25 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.932 113.3 49.0 -66.0 -44.8 12.1 -20.1 27.8 140 15 B M H X S+ 0 0 81 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.933 108.8 51.9 -61.1 -47.1 15.5 -19.5 26.3 141 16 B L H X>S+ 0 0 14 -4,-2.8 4,-3.0 2,-0.2 6,-0.8 0.862 110.3 48.8 -57.3 -37.4 17.3 -21.6 28.9 142 17 B I H X5S+ 0 0 35 -4,-1.7 4,-1.5 4,-0.2 -1,-0.2 0.921 112.1 49.0 -70.8 -40.2 14.9 -24.5 28.3 143 18 B E H <5S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.825 118.7 40.5 -64.6 -31.5 15.5 -24.2 24.6 144 19 B E H <5S+ 0 0 148 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.908 136.7 9.8 -83.5 -46.1 19.3 -24.1 25.1 145 20 B K H <5S- 0 0 82 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.643 95.0-112.9-112.7 -24.8 19.7 -26.8 27.8 146 21 B G S < - 0 0 126 -2,-0.5 4,-2.1 1,-0.1 3,-0.4 -0.533 25.8-128.8 -74.8 139.5 18.1 -23.8 36.8 150 25 B V H > S+ 0 0 53 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.891 111.9 55.3 -50.4 -42.3 17.5 -21.0 39.3 151 26 B S H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 107.3 48.5 -61.8 -38.4 21.2 -20.4 39.2 152 27 B D H > S+ 0 0 17 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.833 111.5 49.7 -72.8 -32.7 21.2 -20.0 35.5 153 28 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.927 110.1 50.4 -68.7 -44.1 18.3 -17.6 35.6 154 29 B A H <>S+ 0 0 7 -4,-2.6 5,-2.2 1,-0.2 4,-0.4 0.939 114.0 44.8 -59.6 -47.6 20.0 -15.4 38.3 155 30 B E H <5S+ 0 0 157 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.837 111.6 52.9 -64.5 -36.4 23.2 -15.3 36.2 156 31 B A H <5S+ 0 0 47 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.878 120.7 32.2 -69.0 -38.2 21.3 -14.5 33.0 157 32 B L T <5S- 0 0 28 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.314 105.9-127.9 -97.6 5.2 19.4 -11.6 34.6 158 33 B A T 5 + 0 0 90 -4,-0.4 2,-0.3 -3,-0.2 -3,-0.2 0.897 65.1 131.3 45.1 48.0 22.3 -10.7 36.9 159 34 B V < - 0 0 36 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.795 67.1 -92.5-118.1 165.6 20.0 -10.8 39.9 160 35 B H >> - 0 0 128 -2,-0.3 4,-1.1 1,-0.1 3,-0.7 -0.477 39.4-115.6 -69.0 148.3 20.3 -12.4 43.3 161 36 B P H >> S+ 0 0 57 0, 0.0 4,-3.0 0, 0.0 3,-0.8 0.888 114.7 64.0 -53.8 -36.4 18.7 -15.9 43.3 162 37 B S H 3> S+ 0 0 59 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.868 98.0 52.7 -56.9 -39.9 16.1 -14.5 45.8 163 38 B S H <> S+ 0 0 56 -3,-0.7 4,-1.1 1,-0.2 -1,-0.3 0.845 115.2 45.1 -61.8 -31.1 14.8 -12.1 43.3 164 39 B V H S+ 0 0 0 -4,-2.6 5,-3.1 2,-0.2 6,-0.8 0.868 112.4 48.2 -61.4 -35.7 5.0 -17.0 37.7 172 47 B D H ><5S+ 0 0 56 -4,-2.2 3,-1.5 3,-0.2 -2,-0.2 0.901 108.5 53.2 -71.8 -42.6 3.6 -20.2 39.2 173 48 B K H 3<5S+ 0 0 142 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.935 110.3 47.9 -54.5 -47.9 0.8 -18.3 40.9 174 49 B D T 3<5S- 0 0 59 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.290 117.8-116.5 -82.6 10.6 -0.2 -16.8 37.5 175 50 B E T < 5S+ 0 0 136 -3,-1.5 12,-0.3 2,-0.2 13,-0.3 0.779 79.1 126.0 64.0 30.4 0.1 -20.3 36.0 176 51 B Y S - 0 0 39 -9,-1.6 4,-2.7 -2,-0.2 5,-0.3 -0.394 36.7 -95.8 -80.2 169.0 2.8 -24.4 31.2 186 64 B S H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 131.5 54.5 -56.3 -33.8 1.3 -24.1 27.7 187 65 B K H > S+ 0 0 92 -12,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.890 109.1 46.9 -63.0 -43.5 0.5 -20.5 28.7 188 66 B G H > S+ 0 0 0 -13,-0.3 4,-2.9 -3,-0.3 -2,-0.2 0.884 112.0 49.1 -65.1 -41.5 4.2 -20.0 29.6 189 67 B K H X S+ 0 0 118 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.867 109.1 54.2 -66.5 -39.5 5.5 -21.6 26.4 190 68 B K H X S+ 0 0 148 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.967 114.8 39.1 -54.5 -55.1 3.1 -19.4 24.4 191 69 B I H X S+ 0 0 59 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.916 113.6 53.3 -65.2 -47.9 4.4 -16.2 26.0 192 70 B G H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.909 109.7 49.7 -54.9 -43.7 8.0 -17.2 26.0 193 71 B K H X S+ 0 0 132 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.901 110.0 49.9 -64.4 -44.3 7.9 -18.0 22.4 194 72 B R H X S+ 0 0 150 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.857 110.9 51.4 -58.8 -38.4 6.2 -14.6 21.6 195 73 B L H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.890 108.9 47.8 -71.8 -38.5 9.0 -12.9 23.6 196 74 B V H X S+ 0 0 37 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.892 112.5 51.3 -67.7 -38.7 11.9 -14.5 21.8 197 75 B Y H X S+ 0 0 108 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.956 110.2 48.8 -57.2 -54.3 10.1 -13.7 18.5 198 76 B R H X S+ 0 0 18 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.931 111.8 49.4 -51.4 -51.6 9.8 -10.0 19.6 199 77 B H H X S+ 0 0 14 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.964 113.2 45.5 -54.8 -54.5 13.5 -9.9 20.7 200 78 B E H X S+ 0 0 117 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.905 112.8 50.9 -55.9 -45.2 14.7 -11.4 17.4 201 79 B L H X S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.903 110.5 48.0 -60.6 -44.5 12.5 -9.1 15.3 202 80 B L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.904 110.8 50.1 -68.6 -41.3 13.6 -5.9 17.0 203 81 B E H X S+ 0 0 27 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.920 112.0 50.0 -58.1 -44.1 17.3 -6.8 16.7 204 82 B Q H X S+ 0 0 70 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.895 109.1 52.2 -60.2 -41.2 16.6 -7.5 13.0 205 83 B F H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.953 112.7 42.1 -60.4 -52.8 14.9 -4.1 12.6 206 84 B L H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.6 0.893 114.4 54.1 -68.0 -35.1 17.7 -2.1 14.1 207 85 B R H ><5S+ 0 0 103 -4,-2.6 3,-1.6 -5,-0.3 -2,-0.2 0.977 109.0 48.1 -58.0 -55.6 20.2 -4.2 12.2 208 86 B I H 3<5S+ 0 0 32 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.890 109.3 50.7 -54.4 -45.7 18.4 -3.5 8.9 209 87 B I H 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.494 123.3-102.9 -78.4 -1.1 18.2 0.3 9.4 210 88 B G T <<5 + 0 0 26 -3,-1.6 -3,-0.2 -4,-0.6 -2,-0.1 0.637 58.8 162.1 100.1 17.4 21.9 0.4 10.2 211 89 B V < - 0 0 7 -5,-2.3 -1,-0.2 1,-0.1 5,-0.1 -0.451 55.4 -93.5 -65.9 138.9 22.4 0.7 14.0 212 90 B D >> - 0 0 74 1,-0.2 3,-2.2 -2,-0.1 4,-0.9 -0.358 33.5-127.7 -53.0 130.0 25.9 -0.3 15.0 213 91 B E H >> S+ 0 0 105 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.832 106.7 62.8 -54.0 -36.2 25.7 -3.9 16.0 214 92 B E H 34 S+ 0 0 151 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.771 106.0 45.0 -59.9 -29.5 27.3 -3.2 19.4 215 93 B K H <> S+ 0 0 92 -3,-2.2 4,-1.8 1,-0.1 -1,-0.3 0.651 93.9 81.7 -86.9 -21.0 24.4 -1.0 20.3 216 94 B I H S+ 0 0 118 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.887 112.7 51.5 -61.8 -37.6 20.9 -3.1 24.8 219 97 B D H X S+ 0 0 10 -4,-1.8 4,-1.2 2,-0.2 5,-0.2 0.937 110.8 47.6 -64.1 -46.1 18.4 -1.0 22.8 220 98 B V H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.7 0.926 110.0 53.3 -60.5 -42.1 16.2 -4.0 22.2 221 99 B E H 3< S+ 0 0 50 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.867 109.8 50.2 -61.1 -34.9 16.3 -4.9 25.9 222 100 B G H 3< S+ 0 0 19 -4,-1.7 -1,-0.2 -125,-0.2 -2,-0.2 0.713 123.0 24.7 -76.6 -22.3 15.2 -1.4 26.7 223 101 B I H X< S+ 0 0 6 -4,-1.2 3,-2.7 -3,-0.7 4,-0.3 0.642 92.8 90.5-114.4 -20.0 12.2 -1.2 24.4 224 102 B E G >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.3 -3,-0.1 0.839 93.9 42.8 -58.9 -37.0 10.9 -4.7 23.8 225 103 B H G 3 S+ 0 0 31 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.180 108.1 60.5 -98.6 20.9 8.6 -4.8 26.6 226 104 B H G < S+ 0 0 91 -3,-2.7 2,-0.4 2,-0.1 -133,-0.2 0.163 84.0 95.3-125.0 13.6 7.2 -1.2 26.1 227 105 B L S < S- 0 0 11 -3,-0.8 -137,-0.0 -4,-0.3 -136,-0.0 -0.924 71.9-125.0-110.5 131.8 5.8 -1.7 22.6 228 106 B S > - 0 0 24 -2,-0.4 4,-2.2 -142,-0.2 3,-0.2 -0.232 29.7-111.4 -59.1 154.7 2.2 -2.5 21.8 229 107 B W H > S+ 0 0 100 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.884 120.3 63.2 -53.6 -37.1 1.5 -5.6 19.7 230 108 B N H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 104.8 43.1 -52.8 -49.9 0.4 -3.0 17.1 231 109 B S H > S+ 0 0 0 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 112.8 53.2 -66.3 -40.0 3.9 -1.5 16.9 232 110 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 3,-0.2 0.959 111.1 45.7 -56.7 -53.3 5.6 -4.9 16.9 233 111 B D H X S+ 0 0 67 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.888 111.9 50.4 -61.6 -39.5 3.5 -6.2 14.0 234 112 B R H X S+ 0 0 57 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.808 110.4 50.7 -70.3 -26.4 4.0 -3.0 11.9 235 113 B I H X S+ 0 0 3 -4,-1.7 4,-2.5 -3,-0.2 -2,-0.2 0.869 106.9 55.3 -74.5 -36.2 7.7 -3.3 12.6 236 114 B G H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.918 108.4 47.5 -54.0 -45.7 7.4 -6.9 11.4 237 115 B D H X S+ 0 0 32 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.834 109.2 53.9 -67.4 -36.8 5.9 -5.5 8.2 238 116 B L H X S+ 0 0 1 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.901 107.6 49.6 -65.2 -41.4 8.6 -3.0 7.8 239 117 B V H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.912 110.4 50.7 -64.0 -41.1 11.3 -5.7 8.1 240 118 B Q H X S+ 0 0 94 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.918 105.2 59.5 -61.3 -42.5 9.4 -7.7 5.4 241 119 B Y H < S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.2 4,-0.2 0.928 111.5 37.1 -48.9 -54.7 9.4 -4.5 3.3 242 120 B F H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 7,-0.4 0.843 111.2 63.1 -71.4 -30.3 13.2 -4.2 3.2 243 121 B E H 3< S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.803 98.7 53.6 -64.1 -30.2 13.7 -8.0 3.0 244 122 B E T 3< S+ 0 0 108 -4,-1.6 -1,-0.2 -3,-0.4 2,-0.2 0.416 115.8 31.2 -96.3 4.3 11.9 -8.4 -0.3 245 123 B D X> - 0 0 76 -3,-1.1 3,-2.0 -4,-0.2 4,-0.9 -0.676 56.8-163.4-157.9 106.8 13.9 -5.8 -2.3 246 124 B D H 3> S+ 0 0 82 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.792 89.8 72.6 -57.9 -28.8 17.6 -5.1 -1.7 247 125 B A H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.814 94.2 53.2 -53.4 -34.2 17.2 -1.9 -3.7 248 126 B R H <> S+ 0 0 28 -3,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.906 107.9 50.2 -68.9 -42.3 15.1 -0.5 -0.8 249 127 B K H X S+ 0 0 55 -4,-0.9 4,-2.0 -7,-0.4 -2,-0.2 0.910 111.9 48.1 -57.5 -46.3 18.0 -1.3 1.6 250 128 B K H X S+ 0 0 109 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.926 110.3 50.5 -62.0 -47.2 20.4 0.4 -0.8 251 129 B D H X S+ 0 0 69 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.871 108.2 53.7 -59.7 -37.3 18.2 3.5 -1.1 252 130 B L H X S+ 0 0 3 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.920 107.8 50.7 -63.6 -42.0 18.0 3.6 2.7 253 131 B K H < S+ 0 0 156 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.844 103.9 59.3 -59.8 -36.5 21.8 3.6 2.8 254 132 B S H < S+ 0 0 97 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.880 103.1 50.9 -63.3 -38.9 22.0 6.5 0.3 255 133 B I H < 0 0 31 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.855 360.0 360.0 -66.0 -33.2 20.0 8.7 2.6 256 134 B Q < 0 0 74 -4,-1.2 -3,-0.0 -5,-0.1 -151,-0.0 0.101 360.0 360.0 -66.8 360.0 22.3 7.9 5.5