==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 25-JAN-10 3LIS . COMPND 2 MOLECULE: CSP231I C PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER SP. RFL231; . AUTHOR J.E.MCGEEHAN,S.D.STREETER,S.J.THRESH,G.G.KNEALE . 192 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 70.3 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 4.2 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 0 2 0 0 4 4 0 2 0 0 0 0 0 0 0 0 0 0 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 1 A M 0 0 27 0, 0.0 2,-0.6 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 139.0 -10.2 5.4 -11.5 2 2 A L >> - 0 0 30 62,-3.3 4,-1.7 1,-0.2 3,-0.6 -0.672 360.0-152.9 -81.8 119.3 -12.4 7.8 -13.5 3 3 A I H 3> S+ 0 0 75 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.832 93.8 55.3 -63.0 -33.5 -16.0 7.7 -12.2 4 4 A R H 3> S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.820 105.1 53.9 -72.3 -29.2 -17.5 8.8 -15.5 5 5 A R H <> S+ 0 0 9 -3,-0.6 4,-2.2 59,-0.2 -2,-0.2 0.899 110.3 46.6 -64.1 -46.0 -15.8 5.9 -17.3 6 6 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 58,-0.2 -2,-0.2 0.964 115.3 45.6 -61.3 -51.6 -17.2 3.4 -14.8 7 7 A K H X S+ 0 0 91 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.927 113.1 49.7 -57.9 -48.4 -20.7 4.9 -15.0 8 8 A D H X S+ 0 0 71 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.924 111.2 49.0 -56.2 -47.2 -20.6 5.0 -18.9 9 9 A A H X S+ 0 0 6 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.878 112.6 48.2 -64.7 -36.7 -19.5 1.4 -19.2 10 10 A R H X>S+ 0 0 26 -4,-2.2 4,-1.4 2,-0.2 5,-1.4 0.942 112.0 48.4 -69.7 -44.8 -22.2 0.3 -16.8 11 11 A L H <5S+ 0 0 98 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 110.1 53.0 -59.8 -36.7 -24.9 2.3 -18.7 12 12 A R H <5S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.881 107.9 49.9 -69.1 -34.4 -23.7 0.8 -21.9 13 13 A A H <5S- 0 0 52 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.753 108.0-132.8 -70.7 -24.5 -24.0 -2.7 -20.5 14 14 A G T <5 + 0 0 64 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.741 58.9 130.5 78.5 26.8 -27.5 -1.8 -19.5 15 15 A I < - 0 0 33 -5,-1.4 -1,-0.3 1,-0.1 -2,-0.1 -0.822 56.1-111.0-116.0 152.8 -27.2 -3.2 -15.9 16 16 A S > - 0 0 64 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.224 30.4-108.2 -73.8 167.1 -28.1 -1.6 -12.5 17 17 A Q H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 121.1 50.7 -59.3 -40.6 -25.6 -0.6 -9.8 18 18 A E H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.934 109.6 48.5 -67.2 -44.3 -26.7 -3.6 -7.7 19 19 A K H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.872 111.5 50.2 -64.3 -38.3 -26.3 -6.1 -10.6 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.942 112.9 45.9 -62.8 -49.3 -22.8 -4.8 -11.4 21 21 A G H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.924 113.4 50.3 -58.6 -45.2 -21.7 -5.0 -7.8 22 22 A V H ><5S+ 0 0 57 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.958 110.5 47.0 -61.7 -51.2 -23.2 -8.5 -7.4 23 23 A L H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.767 108.0 59.4 -61.3 -23.1 -21.5 -9.9 -10.6 24 24 A A T 3<5S- 0 0 4 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.483 126.4-101.3 -84.1 -1.7 -18.4 -8.3 -9.3 25 25 A G T < 5S+ 0 0 59 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.559 73.4 141.4 99.1 9.3 -18.6 -10.5 -6.1 26 26 A I < - 0 0 23 -5,-2.5 -1,-0.3 -6,-0.2 5,-0.2 -0.659 64.6 -96.5 -86.6 139.4 -20.0 -8.0 -3.6 27 27 A D >> - 0 0 104 -2,-0.3 3,-2.3 1,-0.2 4,-1.3 -0.323 33.8-130.2 -51.1 125.2 -22.6 -9.1 -1.0 28 28 A E H 3> S+ 0 0 131 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.760 105.5 66.3 -59.1 -23.9 -25.9 -8.2 -2.6 29 29 A A H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.823 118.6 23.8 -61.6 -29.8 -27.0 -6.5 0.6 30 30 A S H <> S+ 0 0 38 -3,-2.3 4,-2.6 2,-0.1 5,-0.2 0.431 97.1 102.3-113.1 -6.1 -24.2 -3.9 0.0 31 31 A A H X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.913 83.8 39.7 -52.0 -61.5 -23.8 -4.2 -3.8 32 32 A S H X S+ 0 0 49 -4,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.899 116.3 50.8 -59.6 -43.4 -25.6 -1.1 -5.0 33 33 A A H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 111.6 48.6 -59.0 -43.7 -24.3 1.1 -2.2 34 34 A R H X S+ 0 0 87 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.917 114.0 45.4 -64.1 -43.2 -20.7 0.0 -2.9 35 35 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.914 111.8 52.1 -67.0 -40.5 -21.1 0.7 -6.6 36 36 A N H X S+ 0 0 53 -4,-3.0 4,-1.8 1,-0.2 6,-0.2 0.905 107.0 53.8 -63.2 -39.3 -22.8 4.0 -6.0 37 37 A Q H X>S+ 0 0 49 -4,-2.5 5,-1.9 2,-0.2 6,-1.1 0.901 110.7 45.9 -59.6 -44.2 -19.9 5.0 -3.8 38 38 A Y H ><5S+ 0 0 24 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.930 114.3 48.3 -62.2 -46.5 -17.4 4.2 -6.6 39 39 A E H 3<5S+ 0 0 9 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.704 113.2 46.8 -70.8 -21.4 -19.6 6.0 -9.2 40 40 A K H 3<5S- 0 0 119 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.519 114.3-115.8 -96.3 -8.7 -19.9 9.1 -6.9 41 41 A G T <<5S+ 0 0 47 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.595 78.9 125.2 87.5 12.3 -16.2 9.2 -6.1 42 42 A K S - 0 0 96 1,-0.1 4,-2.7 -2,-0.1 3,-0.4 -0.449 36.1 -96.8 -82.0 169.8 -8.2 -0.9 -5.9 47 47 A F H > S+ 0 0 23 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.835 124.9 55.4 -59.4 -34.4 -6.8 -2.3 -9.2 48 48 A E H > S+ 0 0 118 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.925 111.5 43.3 -64.6 -43.2 -7.9 -5.8 -8.4 49 49 A M H > S+ 0 0 17 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.889 111.0 54.8 -69.2 -40.8 -11.5 -4.7 -7.9 50 50 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.919 106.3 53.0 -59.5 -41.4 -11.3 -2.4 -11.0 51 51 A N H X S+ 0 0 56 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.856 108.3 50.2 -59.8 -38.2 -10.2 -5.5 -13.0 52 52 A R H X S+ 0 0 112 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.924 111.4 48.0 -64.7 -43.8 -13.2 -7.4 -11.7 53 53 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.924 111.1 51.0 -62.7 -42.9 -15.6 -4.6 -12.7 54 54 A A H <>S+ 0 0 3 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.828 108.3 52.5 -63.9 -35.4 -14.0 -4.3 -16.1 55 55 A K H ><5S+ 0 0 157 -4,-1.6 3,-0.9 2,-0.2 -1,-0.2 0.923 111.1 46.2 -66.9 -45.2 -14.4 -8.1 -16.6 56 56 A V H 3<5S+ 0 0 27 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.895 115.7 46.4 -62.1 -39.1 -18.1 -7.9 -15.8 57 57 A L T 3<5S- 0 0 12 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.416 108.2-126.6 -85.7 1.3 -18.5 -4.8 -18.1 58 58 A K T < 5 + 0 0 177 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.894 66.9 122.6 53.2 49.0 -16.6 -6.5 -20.9 59 59 A I S - 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.491 39.5-128.6 -60.6 134.9 -10.3 -3.3 -21.1 61 61 A V G > S+ 0 0 4 1,-0.3 3,-1.7 -2,-0.2 4,-0.3 0.873 104.1 66.3 -59.5 -33.5 -9.6 -2.3 -17.5 62 62 A S G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.680 82.1 77.0 -66.6 -14.7 -7.5 0.6 -18.6 63 63 A Y G X S+ 0 0 13 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.895 89.8 57.5 -54.2 -40.3 -10.6 2.3 -20.1 64 64 A L G < S+ 0 0 0 -3,-1.7 -62,-3.3 -4,-0.4 -1,-0.3 0.591 109.9 43.6 -68.3 -13.4 -11.5 3.2 -16.5 65 65 A Y G < S+ 0 0 7 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.215 86.2 108.3-115.3 14.5 -8.2 5.0 -16.1 66 66 A T < - 0 0 0 -3,-1.4 6,-0.1 1,-0.2 -3,-0.0 -0.817 39.0-179.3-102.6 107.4 -8.1 6.9 -19.4 67 67 A P + 0 0 43 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.829 61.6 86.1 -73.2 -29.9 -8.7 10.7 -19.0 68 68 A E > - 0 0 58 1,-0.2 4,-2.9 2,-0.0 5,-0.2 -0.589 67.0-153.7 -78.9 119.7 -8.4 11.4 -22.7 69 69 A D H > S+ 0 0 100 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.852 93.6 50.9 -63.4 -37.3 -11.8 10.9 -24.5 70 70 A D H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 114.5 43.3 -65.6 -44.0 -10.3 10.2 -27.9 71 71 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.872 111.0 55.8 -67.8 -37.9 -8.0 7.5 -26.4 72 72 A A H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.928 108.0 48.9 -59.0 -41.8 -10.8 6.2 -24.3 73 73 A Q H X S+ 0 0 91 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.891 109.5 51.4 -67.9 -39.3 -12.8 5.7 -27.5 74 74 A I H X S+ 0 0 7 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.927 111.7 48.1 -60.8 -43.6 -10.0 3.9 -29.2 75 75 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.960 112.7 47.2 -62.8 -49.9 -9.6 1.6 -26.2 76 76 A L H < S+ 0 0 13 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.880 117.8 43.7 -57.8 -39.5 -13.4 0.9 -26.1 77 77 A T H >< S+ 0 0 6 -4,-2.4 3,-2.5 -5,-0.2 4,-0.5 0.930 106.2 56.7 -75.0 -48.2 -13.4 0.2 -29.9 78 78 A W H >< S+ 0 0 14 -4,-3.2 3,-1.9 1,-0.3 -1,-0.2 0.904 98.4 67.9 -44.8 -44.3 -10.2 -1.8 -30.1 79 79 A N T 3< S+ 0 0 44 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.737 109.8 31.8 -46.4 -32.8 -12.0 -4.0 -27.6 80 80 A E T < S+ 0 0 113 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.194 87.7 122.6-116.5 8.1 -14.6 -5.0 -30.3 81 81 A L < - 0 0 12 -3,-1.9 2,-0.0 -4,-0.5 -3,-0.0 -0.489 64.9-114.6 -73.1 146.4 -12.6 -4.9 -33.6 82 82 A N > - 0 0 87 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.301 36.2 -99.0 -71.2 168.1 -12.4 -8.1 -35.6 83 83 A E H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.779 122.7 52.7 -64.6 -27.0 -9.0 -9.7 -36.0 84 84 A Q H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 108.3 49.8 -74.7 -40.1 -8.4 -8.2 -39.4 85 85 A E H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.916 110.6 50.4 -62.4 -43.4 -9.1 -4.7 -38.2 86 86 A R H X S+ 0 0 47 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.924 108.5 53.0 -60.3 -46.3 -6.7 -5.2 -35.2 87 87 A K H X S+ 0 0 109 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.921 107.5 51.1 -51.7 -48.3 -4.1 -6.4 -37.6 88 88 A R H X S+ 0 0 136 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.907 113.8 43.8 -62.2 -41.0 -4.4 -3.3 -39.8 89 89 A I H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.931 113.0 51.7 -69.8 -45.0 -4.0 -1.0 -36.7 90 90 A N H X S+ 0 0 59 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.927 113.0 45.4 -53.7 -47.8 -1.2 -3.1 -35.3 91 91 A F H < S+ 0 0 131 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.945 110.7 52.5 -64.6 -46.5 0.7 -2.9 -38.7 92 92 A Y H < S+ 0 0 74 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.880 113.5 45.8 -54.1 -37.7 -0.1 0.9 -39.0 93 93 A I H >< S+ 0 0 10 -4,-2.3 3,-2.3 -5,-0.1 -1,-0.2 0.784 86.4 114.4 -79.7 -28.5 1.4 1.3 -35.5 94 94 A R T 3< S+ 0 0 168 -4,-1.9 -3,-0.0 1,-0.3 -4,-0.0 -0.098 89.0 1.3 -46.6 135.2 4.5 -0.8 -36.1 95 95 A K T 3 0 0 214 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.373 360.0 360.0 66.8 -5.6 7.8 1.0 -36.0 96 96 A K < 0 0 92 -3,-2.3 -1,-0.2 -4,-0.0 82,-0.1 -0.263 360.0 360.0 -77.1 360.0 6.0 4.3 -35.2 97 !* 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 98 1 B M 0 0 28 0, 0.0 2,-0.6 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0 140.3 -1.0 -0.2 -11.5 99 2 B L >> - 0 0 30 62,-3.2 4,-1.7 1,-0.1 3,-0.6 -0.694 360.0-152.4 -82.6 119.6 1.2 -2.6 -13.4 100 3 B I H 3> S+ 0 0 75 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.840 94.4 54.9 -63.0 -33.5 4.7 -2.5 -12.1 101 4 B R H 3> S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.822 105.0 53.7 -71.7 -30.6 6.3 -3.5 -15.4 102 5 B R H <> S+ 0 0 9 -3,-0.6 4,-2.2 59,-0.2 -1,-0.2 0.906 110.8 46.5 -63.7 -46.2 4.5 -0.6 -17.2 103 6 B L H X S+ 0 0 0 -4,-1.7 4,-2.1 58,-0.2 -2,-0.2 0.953 115.1 46.1 -61.2 -48.5 6.0 1.9 -14.6 104 7 B K H X S+ 0 0 92 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.927 113.0 49.3 -61.9 -47.0 9.5 0.3 -14.9 105 8 B D H X S+ 0 0 71 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.904 110.9 49.6 -57.9 -44.2 9.4 0.2 -18.7 106 9 B A H X S+ 0 0 6 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.889 112.2 48.1 -67.8 -35.8 8.3 3.9 -19.0 107 10 B R H X>S+ 0 0 27 -4,-2.1 4,-1.5 2,-0.2 5,-1.4 0.940 112.0 48.6 -68.1 -45.5 11.0 5.0 -16.6 108 11 B L H <5S+ 0 0 100 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 110.1 52.9 -60.5 -36.3 13.7 3.0 -18.5 109 12 B R H <5S+ 0 0 134 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.883 108.1 49.5 -69.3 -35.2 12.4 4.5 -21.7 110 13 B A H <5S- 0 0 52 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.770 108.3-132.0 -70.6 -25.6 12.7 8.0 -20.3 111 14 B G T <5 + 0 0 65 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.763 59.3 130.1 80.9 28.7 16.3 7.1 -19.2 112 15 B I < - 0 0 31 -5,-1.4 -1,-0.3 1,-0.1 -2,-0.1 -0.853 55.6-110.8-119.1 152.8 16.0 8.4 -15.7 113 16 B S > - 0 0 62 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.197 30.1-108.2 -73.7 165.4 16.8 6.9 -12.3 114 17 B Q H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 121.0 50.3 -58.1 -41.8 14.3 5.8 -9.6 115 18 B E H > S+ 0 0 100 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.931 110.0 48.0 -64.1 -46.7 15.4 8.8 -7.5 116 19 B K H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.852 112.0 50.2 -64.1 -36.9 15.0 11.3 -10.3 117 20 B L H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.957 112.8 46.0 -64.7 -51.4 11.6 10.0 -11.1 118 21 B G H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 4,-0.2 0.922 113.9 49.9 -54.2 -46.8 10.5 10.2 -7.5 119 22 B V H ><5S+ 0 0 41 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.952 110.6 47.0 -60.9 -51.8 11.9 13.7 -7.1 120 23 B L H 3<5S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.724 108.0 59.7 -62.1 -20.1 10.3 15.1 -10.3 121 24 B A T 3<5S- 0 0 4 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.466 126.4-101.3 -88.7 -1.3 7.1 13.5 -9.0 122 25 B G T < 5S+ 0 0 58 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.593 73.3 141.6 99.3 12.8 7.3 15.6 -5.8 123 26 B I < - 0 0 20 -5,-2.5 -1,-0.3 -6,-0.2 5,-0.2 -0.699 64.4 -95.8 -89.7 137.6 8.7 13.1 -3.3 124 27 B D >> - 0 0 104 -2,-0.3 3,-2.3 1,-0.2 4,-1.2 -0.291 34.8-129.8 -49.5 127.0 11.2 14.2 -0.7 125 28 B E H 3> S+ 0 0 115 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.774 105.5 65.1 -59.9 -28.6 14.6 13.3 -2.3 126 29 B A H 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.816 118.3 25.9 -59.6 -30.7 15.7 11.6 0.9 127 30 B S H <> S+ 0 0 38 -3,-2.3 4,-2.6 2,-0.1 5,-0.2 0.431 96.0 101.9-110.9 -5.6 12.8 9.0 0.3 128 31 B A H X S+ 0 0 0 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.920 83.7 39.6 -52.1 -61.4 12.5 9.3 -3.5 129 32 B S H X S+ 0 0 48 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.910 116.2 51.0 -62.2 -41.7 14.3 6.2 -4.7 130 33 B A H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 111.6 48.4 -58.7 -44.1 13.0 4.0 -2.0 131 34 B R H X S+ 0 0 86 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.923 114.1 45.7 -63.9 -44.2 9.4 5.1 -2.7 132 35 B M H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.909 111.5 52.2 -66.0 -40.4 9.9 4.5 -6.4 133 36 B N H X S+ 0 0 52 -4,-3.0 4,-1.8 -5,-0.2 6,-0.2 0.906 106.9 53.6 -63.7 -38.9 11.5 1.1 -5.8 134 37 B Q H X>S+ 0 0 49 -4,-2.3 5,-1.9 -5,-0.2 6,-1.0 0.908 110.8 45.8 -60.3 -43.3 8.6 0.1 -3.6 135 38 B Y H ><5S+ 0 0 24 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.930 114.6 48.3 -63.3 -44.9 6.1 1.0 -6.5 136 39 B E H 3<5S+ 0 0 9 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.716 113.3 46.6 -72.5 -21.3 8.3 -0.8 -9.0 137 40 B K H 3<5S- 0 0 117 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.533 114.1-116.0 -96.5 -9.9 8.6 -3.9 -6.8 138 41 B G T <<5S+ 0 0 46 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.601 78.9 124.9 89.1 12.4 4.9 -4.0 -6.0 139 42 B K S - 0 0 95 1,-0.1 4,-2.8 -2,-0.1 3,-0.3 -0.432 35.8 -96.4 -82.9 170.6 -3.1 6.1 -5.8 144 47 B F H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.834 125.1 55.3 -58.9 -34.2 -4.5 7.4 -9.1 145 48 B E H > S+ 0 0 118 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.930 111.3 43.3 -65.4 -43.4 -3.4 11.0 -8.2 146 49 B M H > S+ 0 0 17 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.892 111.3 55.1 -69.2 -38.9 0.2 9.8 -7.7 147 50 B A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.928 105.6 52.7 -60.1 -43.0 0.0 7.7 -10.9 148 51 B N H X S+ 0 0 59 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.838 108.8 50.4 -58.3 -35.5 -1.0 10.7 -12.8 149 52 B R H X S+ 0 0 112 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.937 111.0 47.8 -68.0 -45.9 2.0 12.6 -11.5 150 53 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.925 111.5 50.8 -58.0 -45.6 4.3 9.7 -12.5 151 54 B A H <>S+ 0 0 3 -4,-2.8 5,-2.4 1,-0.2 4,-0.3 0.820 108.5 52.2 -64.2 -34.4 2.7 9.6 -16.0 152 55 B K H ><5S+ 0 0 156 -4,-1.6 3,-1.0 -5,-0.2 -1,-0.2 0.934 111.2 46.3 -67.3 -45.4 3.2 13.3 -16.4 153 56 B V H 3<5S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.905 115.6 46.6 -62.4 -38.5 6.9 13.1 -15.5 154 57 B L T 3<5S- 0 0 12 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.450 108.0-126.7 -85.1 1.1 7.3 10.1 -17.9 155 58 B K T < 5 + 0 0 176 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.898 67.0 123.0 52.4 47.9 5.4 11.8 -20.7 156 59 B I S - 0 0 3 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.503 39.8-128.6 -61.0 136.0 -0.9 8.6 -21.0 158 61 B V G > S+ 0 0 4 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.861 103.9 66.9 -62.8 -34.5 -1.6 7.6 -17.5 159 62 B S G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.679 81.9 77.2 -63.7 -15.2 -3.7 4.6 -18.5 160 63 B Y G X S+ 0 0 13 -3,-1.7 3,-1.4 1,-0.2 -1,-0.3 0.895 89.5 57.8 -53.0 -39.0 -0.6 3.0 -20.0 161 64 B L G < S+ 0 0 0 -3,-1.9 -62,-3.2 -4,-0.4 -1,-0.2 0.641 110.1 43.1 -69.8 -14.0 0.2 2.1 -16.4 162 65 B Y G < S+ 0 0 7 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.177 85.8 108.7-115.0 14.4 -3.0 0.3 -16.0 163 66 B T < - 0 0 0 -3,-1.4 6,-0.1 1,-0.2 -3,-0.0 -0.840 39.1-178.8-102.1 106.8 -3.1 -1.6 -19.3 164 67 B P + 0 0 42 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.836 61.8 85.9 -70.5 -31.2 -2.5 -5.4 -18.9 165 68 B E > - 0 0 59 1,-0.1 4,-3.0 2,-0.0 5,-0.2 -0.584 67.3-153.3 -80.3 119.2 -2.7 -6.1 -22.7 166 69 B D H > S+ 0 0 99 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.859 93.8 50.7 -61.0 -39.6 0.6 -5.6 -24.4 167 70 B D H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 114.4 43.6 -64.7 -44.6 -0.9 -4.8 -27.8 168 71 B L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.894 110.9 55.8 -66.5 -41.1 -3.2 -2.2 -26.4 169 72 B A H X S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.920 108.2 48.4 -54.6 -43.1 -0.4 -0.8 -24.2 170 73 B Q H X S+ 0 0 94 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 109.7 51.5 -69.2 -38.4 1.7 -0.3 -27.4 171 74 B I H X S+ 0 0 7 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.932 112.1 47.5 -61.4 -44.9 -1.2 1.4 -29.1 172 75 B I H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.954 112.9 47.4 -60.2 -50.7 -1.5 3.7 -26.1 173 76 B L H < S+ 0 0 12 -4,-3.0 4,-0.3 -5,-0.2 -1,-0.2 0.868 117.8 43.5 -59.7 -35.4 2.2 4.4 -26.0 174 77 B T H >< S+ 0 0 6 -4,-2.3 3,-2.2 -5,-0.2 4,-0.5 0.921 106.3 56.4 -78.9 -46.4 2.2 5.1 -29.8 175 78 B W H >< S+ 0 0 13 -4,-3.2 3,-1.7 1,-0.3 -1,-0.2 0.901 98.5 68.1 -46.5 -42.6 -1.0 7.2 -30.0 176 79 B N T 3< S+ 0 0 44 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.765 109.9 31.6 -46.1 -33.7 0.8 9.3 -27.5 177 80 B E T < S+ 0 0 114 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.208 87.9 122.4-116.6 7.9 3.4 10.3 -30.2 178 81 B L < - 0 0 12 -3,-1.7 2,-0.0 -4,-0.5 -3,-0.0 -0.485 64.8-114.5 -73.1 146.8 1.4 10.3 -33.4 179 82 B N > - 0 0 88 -2,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.311 36.2 -99.0 -72.0 167.6 1.3 13.5 -35.5 180 83 B E H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.760 122.6 52.7 -64.6 -25.4 -2.1 15.1 -35.8 181 84 B Q H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 108.6 49.2 -76.1 -39.5 -2.7 13.6 -39.2 182 85 B E H > S+ 0 0 46 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.909 110.7 51.0 -63.5 -43.4 -2.0 10.1 -38.1 183 86 B R H X S+ 0 0 47 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.920 108.5 52.6 -60.2 -45.1 -4.4 10.6 -35.1 184 87 B K H X S+ 0 0 110 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.905 107.9 50.9 -53.6 -46.5 -7.1 11.8 -37.5 185 88 B R H X S+ 0 0 138 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.906 113.5 44.2 -63.2 -41.8 -6.7 8.7 -39.6 186 89 B I H X S+ 0 0 11 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.933 113.0 51.7 -68.4 -44.9 -7.1 6.4 -36.7 187 90 B N H X S+ 0 0 57 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.925 112.8 45.4 -54.5 -46.7 -10.0 8.5 -35.3 188 91 B F H < S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.927 110.4 52.8 -66.5 -44.7 -11.8 8.3 -38.6 189 92 B Y H < S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.896 112.4 47.4 -54.6 -39.9 -11.0 4.5 -39.0 190 93 B I H >< S+ 0 0 9 -4,-2.4 3,-2.1 -5,-0.1 -1,-0.2 0.792 86.1 114.3 -76.7 -29.3 -12.6 4.0 -35.5 191 94 B R T 3< S+ 0 0 169 -4,-1.9 -3,-0.0 1,-0.3 -4,-0.0 -0.114 89.5 0.2 -47.0 133.1 -15.7 6.1 -36.1 192 95 B K T 3 0 0 211 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.286 360.0 360.0 68.9 -6.1 -18.9 4.3 -36.1 193 96 B K < 0 0 90 -3,-2.1 -1,-0.2 -4,-0.1 -112,-0.1 -0.234 360.0 360.0 -77.6 360.0 -17.1 1.0 -35.4