==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 08-JUN-12 4FIL . COMPND 2 MOLECULE: FERRIC HYDROXAMATE RECEPTOR 2; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR L.K.BRIERE,D.E.HEINRICHS,B.H.SHILTON . 1024 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.1 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 . 4 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 . 4 0.4 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 . 67 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 324 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 14 0 7 9 0 0 0 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 12 12 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 8 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 4 4 4 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 47 A P 0 0 148 0, 0.0 2,-0.2 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 48.4 15.7 -13.0 33.2 2 48 A K - 0 0 169 1,-0.1 19,-0.7 57,-0.1 2,-0.6 -0.371 360.0-123.0 -61.3 124.3 18.9 -11.0 33.6 3 49 A R E -a 21 0A 73 -2,-0.2 56,-4.0 54,-0.1 57,-1.6 -0.577 30.8-170.1 -79.8 112.7 18.3 -7.9 35.6 4 50 A I E -ab 22 60A 7 17,-2.5 19,-2.0 -2,-0.6 20,-1.2 -0.861 14.6-157.1-105.8 134.2 19.3 -4.7 33.8 5 51 A A E -ab 24 61A 0 55,-3.5 57,-2.6 -2,-0.4 2,-1.0 -0.940 10.8-159.3-105.4 115.1 19.6 -1.2 35.2 6 52 A V E +ab 25 62A 0 18,-3.0 20,-1.5 -2,-0.6 39,-0.2 -0.767 25.6 159.5 -99.5 95.2 19.3 1.4 32.5 7 53 A V + 0 0 1 55,-1.6 56,-0.2 -2,-1.0 -1,-0.2 0.817 63.2 72.8 -82.1 -33.7 20.8 4.7 33.7 8 54 A A S > S- 0 0 0 54,-1.8 3,-1.4 -3,-0.2 4,-0.1 -0.769 74.2-154.1 -86.2 113.6 21.3 6.1 30.2 9 55 A P G >> S+ 0 0 9 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.623 83.2 75.4 -66.4 -17.4 17.8 7.0 28.9 10 56 A T G 34 S+ 0 0 17 1,-0.2 225,-0.3 2,-0.1 4,-0.3 0.834 102.0 39.7 -60.3 -33.1 18.8 6.5 25.2 11 57 A Y G <> S+ 0 0 4 -3,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.248 90.5 90.1-108.4 9.8 18.7 2.7 25.5 12 58 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.947 89.6 43.5 -72.2 -51.1 15.7 2.2 27.7 13 59 A G H X S+ 0 0 0 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.778 111.8 55.0 -68.4 -27.9 13.1 1.9 25.0 14 60 A G H > S+ 0 0 0 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.841 111.7 42.8 -74.1 -34.7 15.2 -0.3 22.9 15 61 A L H X>S+ 0 0 0 -4,-1.1 5,-2.9 2,-0.2 4,-0.5 0.887 113.5 51.2 -77.1 -42.3 15.7 -2.8 25.7 16 62 A K H ><5S+ 0 0 77 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.903 107.7 54.6 -56.6 -45.4 12.1 -2.7 26.8 17 63 A K H 3<5S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.879 109.1 47.3 -54.5 -42.1 11.1 -3.3 23.1 18 64 A L H 3<5S- 0 0 5 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.497 122.7-107.1 -83.1 -4.7 13.3 -6.5 23.1 19 65 A G T <<5 + 0 0 59 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.741 55.1 172.9 90.4 24.2 11.8 -7.6 26.4 20 66 A A < - 0 0 14 -5,-2.9 2,-1.9 1,-0.1 -1,-0.2 -0.285 43.2-111.7 -65.9 150.4 14.7 -6.9 28.7 21 67 A N E -a 3 0A 64 -19,-0.7 -17,-2.5 2,-0.0 2,-0.9 -0.540 41.3-174.0 -82.7 74.4 14.3 -7.3 32.5 22 68 A I E +a 4 0A 16 -2,-1.9 -17,-0.2 -19,-0.2 3,-0.1 -0.615 15.9 168.1 -76.8 105.7 14.6 -3.6 33.3 23 69 A V E S+ 0 0 13 -19,-2.0 20,-0.7 -2,-0.9 2,-0.3 0.622 71.3 25.4 -93.2 -17.9 14.6 -3.4 37.1 24 70 A A E +ac 5 43A 0 -20,-1.2 -18,-3.0 18,-0.1 2,-0.3 -0.992 68.1 179.3-146.2 144.9 15.7 0.2 37.1 25 71 A V E -ac 6 44A 0 18,-2.6 20,-2.5 -2,-0.3 -18,-0.2 -0.989 38.4 -90.1-147.2 147.5 15.3 3.0 34.5 26 72 A N E > - c 0 45A 4 -20,-1.5 3,-1.6 -2,-0.3 20,-0.2 -0.354 34.3-127.4 -60.1 135.5 16.3 6.7 34.2 27 73 A Q G > S+ 0 0 96 18,-3.4 3,-2.0 1,-0.3 4,-0.2 0.751 98.9 78.5 -52.8 -28.6 13.5 9.0 35.6 28 74 A Q G > S+ 0 0 75 17,-0.3 3,-1.2 1,-0.3 4,-0.3 0.549 71.4 78.0 -68.0 -9.5 13.6 10.9 32.3 29 75 A V G X S+ 0 0 0 -3,-1.6 3,-0.9 1,-0.2 -1,-0.3 0.690 80.5 72.9 -68.6 -17.9 11.5 8.3 30.4 30 76 A D G < S+ 0 0 69 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.681 86.9 62.2 -70.6 -18.1 8.5 9.8 32.2 31 77 A Q G < S+ 0 0 117 -3,-1.2 2,-0.5 -4,-0.2 200,-0.3 0.710 87.3 83.8 -79.3 -21.2 8.7 12.9 30.0 32 78 A S <> - 0 0 0 -3,-0.9 4,-2.8 -4,-0.3 5,-0.3 -0.740 69.8-152.1 -86.9 124.3 8.0 10.8 26.9 33 79 A K T 4 S+ 0 0 114 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.545 100.0 47.0 -72.5 -6.1 4.3 10.2 26.4 34 80 A V T 4 S+ 0 0 22 -5,-0.1 4,-0.5 2,-0.1 -1,-0.2 0.798 119.2 35.7 -95.1 -40.3 5.3 7.0 24.6 35 81 A L T > S+ 0 0 0 -6,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.744 101.3 71.0 -92.2 -27.3 7.8 5.7 27.2 36 82 A K T >< S+ 0 0 84 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.899 101.6 48.0 -55.5 -43.9 6.2 6.8 30.5 37 83 A D G >4 S+ 0 0 58 -5,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.827 107.2 57.3 -65.2 -34.0 3.5 4.2 30.0 38 84 A K G 34 S+ 0 0 74 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.678 111.1 42.0 -72.9 -17.3 6.0 1.5 29.2 39 85 A F G X< S+ 0 0 0 -4,-0.9 3,-1.4 -3,-0.7 2,-0.5 0.045 73.5 134.2-125.0 25.4 7.9 2.0 32.5 40 86 A K T < S+ 0 0 118 -3,-0.9 3,-0.1 1,-0.2 -3,-0.0 -0.665 77.8 25.5 -77.1 126.6 5.2 2.3 35.1 41 87 A G T 3 S+ 0 0 86 -2,-0.5 2,-0.4 1,-0.4 -1,-0.2 0.313 98.4 115.0 98.8 -4.9 6.0 0.1 38.1 42 88 A V S < S- 0 0 28 -3,-1.4 -1,-0.4 1,-0.0 -18,-0.1 -0.849 77.6-102.8-100.7 133.5 9.7 0.3 37.2 43 89 A T E -c 24 0A 45 -20,-0.7 -18,-2.6 -2,-0.4 2,-0.5 -0.282 33.3-139.0 -59.1 128.8 12.0 2.1 39.7 44 90 A K E +c 25 0A 46 -20,-0.2 2,-0.3 -17,-0.1 -18,-0.2 -0.800 24.2 178.4 -94.0 123.4 13.1 5.6 38.6 45 91 A I E -c 26 0A 0 -20,-2.5 -18,-3.4 -2,-0.5 -17,-0.3 -0.885 10.2-161.4-117.9 154.6 16.6 6.7 39.0 46 92 A G > - 0 0 4 -2,-0.3 3,-1.5 -20,-0.2 2,-0.2 -0.593 48.1 -58.2-114.2-176.1 18.4 9.9 38.2 47 93 A D T 3 S+ 0 0 102 1,-0.2 -1,-0.1 -2,-0.2 3,-0.0 -0.480 125.9 22.5 -65.4 133.3 22.1 10.7 37.8 48 94 A G T 3 S+ 0 0 38 -2,-0.2 2,-2.9 1,-0.1 3,-0.4 0.147 82.4 124.9 96.3 -17.9 24.0 9.9 41.0 49 95 A D <> + 0 0 52 -3,-1.5 4,-1.8 1,-0.2 5,-0.1 -0.310 22.7 146.5 -73.6 61.2 21.4 7.5 42.3 50 96 A V H > S+ 0 0 27 -2,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.897 72.0 45.2 -66.8 -41.2 24.0 4.7 42.7 51 97 A E H > S+ 0 0 130 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.853 108.9 56.2 -73.0 -33.5 22.3 3.2 45.7 52 98 A K H > S+ 0 0 108 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.898 114.2 41.2 -61.2 -40.2 18.9 3.4 44.1 53 99 A V H >< S+ 0 0 1 -4,-1.8 3,-0.5 2,-0.2 -2,-0.2 0.934 115.7 50.5 -69.0 -48.4 20.4 1.4 41.3 54 100 A A H >< S+ 0 0 21 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.880 103.8 58.6 -55.6 -44.9 22.2 -0.9 43.7 55 101 A K H 3< S+ 0 0 145 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.800 99.4 55.9 -62.3 -33.3 19.1 -1.7 45.8 56 102 A E T << S- 0 0 76 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.382 109.8-129.1 -80.1 5.4 17.2 -3.1 42.9 57 103 A K < - 0 0 154 -3,-1.9 2,-0.2 1,-0.1 -3,-0.1 0.934 28.0-158.8 50.4 73.8 20.1 -5.5 42.4 58 104 A P - 0 0 10 0, 0.0 -54,-0.2 0, 0.0 3,-0.1 -0.511 23.0-159.4 -81.7 148.9 21.0 -5.3 38.7 59 105 A D S S+ 0 0 86 -56,-4.0 2,-0.3 1,-0.3 -55,-0.2 0.505 87.8 24.3 -92.2 -11.5 23.0 -8.0 36.9 60 106 A L E -b 4 0A 32 -57,-1.6 -55,-3.5 17,-0.1 2,-0.4 -0.974 66.8-158.2-157.1 134.1 23.9 -5.3 34.3 61 107 A I E -bd 5 79A 0 17,-2.4 19,-2.8 -2,-0.3 2,-0.6 -0.969 5.7-159.6-119.9 133.0 24.2 -1.6 34.3 62 108 A I E +bd 6 80A 0 -57,-2.6 -54,-1.8 -2,-0.4 -55,-1.6 -0.942 24.2 158.3-114.9 116.6 24.0 0.6 31.2 63 109 A V E - d 0 81A 0 17,-1.7 19,-2.7 -2,-0.6 2,-0.1 -0.889 41.5 -95.9-133.1 161.9 25.5 4.1 31.4 64 110 A Y E > - d 0 82A 59 -2,-0.3 3,-1.3 17,-0.2 19,-0.2 -0.337 34.4-117.0 -70.5 158.0 26.9 6.8 29.1 65 111 A S T 3 S+ 0 0 33 17,-1.3 18,-0.1 1,-0.3 -1,-0.1 0.583 117.1 53.1 -72.5 -10.5 30.6 7.1 28.5 66 112 A T T 3 S+ 0 0 106 16,-0.2 -1,-0.3 4,-0.0 2,-0.2 0.285 78.7 126.3-105.2 6.9 30.6 10.5 30.2 67 113 A D X - 0 0 12 -3,-1.3 3,-0.7 1,-0.1 -4,-0.1 -0.491 50.9-153.2 -68.3 132.5 28.9 9.2 33.3 68 114 A K T 3 S+ 0 0 124 1,-0.2 3,-0.3 -2,-0.2 -1,-0.1 0.635 86.7 59.9 -85.0 -15.8 30.9 10.2 36.4 69 115 A D T 3> + 0 0 48 1,-0.2 4,-1.9 2,-0.1 3,-0.3 0.056 66.1 119.0-102.4 26.3 29.8 7.4 38.7 70 116 A I H <> S+ 0 0 34 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.901 75.0 49.4 -59.1 -45.3 31.1 4.6 36.4 71 117 A A H > S+ 0 0 71 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.792 109.6 54.3 -66.9 -27.3 33.5 3.2 39.0 72 118 A A H > S+ 0 0 38 -3,-0.3 4,-0.7 2,-0.2 3,-0.3 0.872 109.8 45.5 -71.2 -39.3 30.7 3.2 41.5 73 119 A Y H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.3 0.803 104.1 63.7 -73.3 -30.0 28.5 1.1 39.2 74 120 A Q H < S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.792 102.0 51.0 -63.1 -28.8 31.4 -1.2 38.5 75 121 A A H < S+ 0 0 90 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.758 114.2 44.2 -77.7 -27.5 31.4 -2.1 42.2 76 122 A V H < S- 0 0 54 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.1 0.942 128.0 -24.7 -82.2 -54.3 27.6 -2.8 42.1 77 123 A A S < S- 0 0 7 -4,-2.8 -1,-0.3 -20,-0.0 2,-0.1 -0.950 84.1 -63.5-153.5 165.5 27.3 -4.8 38.9 78 124 A P - 0 0 90 0, 0.0 -17,-2.4 0, 0.0 2,-0.6 -0.425 57.3-145.9 -56.9 127.8 28.9 -5.4 35.5 79 125 A T E -d 61 0A 27 -19,-0.2 2,-0.8 -2,-0.1 -17,-0.2 -0.884 12.1-157.0-111.1 114.4 28.8 -2.1 33.7 80 126 A V E -d 62 0A 53 -19,-2.8 -17,-1.7 -2,-0.6 2,-0.6 -0.783 16.4-155.9 -85.3 112.1 28.3 -1.7 30.0 81 127 A V E -d 63 0A 64 -2,-0.8 2,-0.5 -19,-0.2 -17,-0.2 -0.805 9.2-162.7 -94.4 121.3 29.7 1.7 29.1 82 128 A V E -d 64 0A 27 -19,-2.7 -17,-1.3 -2,-0.6 2,-0.7 -0.906 15.2-148.3-114.7 121.8 28.2 3.1 25.9 83 129 A D > - 0 0 49 -2,-0.5 3,-1.0 -19,-0.2 4,-0.5 -0.764 11.7-155.8 -80.1 115.0 29.6 6.0 23.8 84 130 A Y G > S+ 0 0 35 -2,-0.7 3,-0.9 1,-0.2 -1,-0.2 0.900 89.4 56.4 -57.0 -45.1 26.5 7.6 22.3 85 131 A N G 3 S+ 0 0 111 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.638 91.4 75.0 -63.7 -17.1 28.5 9.1 19.3 86 132 A K G < S+ 0 0 143 -3,-1.0 2,-0.4 1,-0.1 -1,-0.2 0.835 98.2 33.8 -73.3 -33.6 29.8 5.7 18.2 87 133 A H S < S- 0 0 41 -3,-0.9 2,-0.1 -4,-0.5 -1,-0.1 -0.948 71.7-130.5-128.5 144.8 26.6 4.3 16.6 88 134 A K >> - 0 0 93 -2,-0.4 4,-2.7 1,-0.1 3,-0.6 -0.457 47.9 -85.1 -85.3 166.2 23.6 5.7 14.7 89 135 A Y H 3> S+ 0 0 5 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.667 127.5 42.5 -51.3 -29.7 20.0 4.9 15.6 90 136 A L H 3> S+ 0 0 18 2,-0.2 4,-1.3 1,-0.1 -1,-0.3 0.885 116.9 45.7 -82.7 -42.5 19.8 1.6 13.7 91 137 A E H <> S+ 0 0 91 -3,-0.6 4,-1.5 1,-0.2 -2,-0.2 0.790 107.8 61.2 -67.4 -29.1 23.3 0.3 14.7 92 138 A Q H X S+ 0 0 9 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.857 104.0 47.1 -65.8 -37.5 22.4 1.3 18.2 93 139 A Q H X S+ 0 0 4 -4,-0.8 4,-1.4 -5,-0.3 -1,-0.2 0.799 106.4 59.0 -74.5 -29.9 19.5 -1.1 18.3 94 140 A E H X S+ 0 0 54 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.870 104.7 51.4 -61.5 -38.4 21.7 -3.8 16.8 95 141 A M H >X S+ 0 0 66 -4,-1.5 4,-1.9 1,-0.2 3,-0.9 0.912 107.3 50.4 -66.1 -45.5 23.9 -3.3 19.9 96 142 A L H 3X S+ 0 0 4 -4,-1.5 4,-1.5 1,-0.3 6,-0.3 0.783 104.4 60.4 -62.3 -28.4 21.0 -3.7 22.3 97 143 A G H 3<>S+ 0 0 0 -4,-1.4 5,-1.0 1,-0.2 6,-0.3 0.764 105.3 48.3 -69.3 -26.0 20.2 -6.9 20.4 98 144 A K H X<5S+ 0 0 114 -3,-0.9 3,-0.7 -4,-0.7 -2,-0.2 0.890 104.8 58.3 -77.3 -44.5 23.6 -8.2 21.4 99 145 A I H 3<5S+ 0 0 52 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.877 120.3 28.3 -51.0 -42.9 23.1 -7.3 25.0 100 146 A V T 3<5S- 0 0 42 -4,-1.5 -1,-0.3 -80,-0.0 -2,-0.2 0.333 110.5-117.1-106.1 5.3 20.0 -9.4 25.3 101 147 A G T < 5S+ 0 0 61 -3,-0.7 2,-0.3 -4,-0.1 3,-0.3 0.636 80.7 120.8 71.0 14.9 21.0 -11.9 22.6 102 148 A K >< + 0 0 88 -5,-1.0 4,-0.9 -6,-0.3 3,-0.3 -0.369 22.7 137.8-102.1 52.0 18.1 -11.0 20.4 103 149 A E H > S+ 0 0 75 -6,-0.3 4,-1.3 -2,-0.3 -1,-0.2 0.787 70.2 52.3 -68.2 -28.7 20.3 -10.0 17.5 104 150 A D H > S+ 0 0 118 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.744 102.8 58.2 -81.4 -24.6 18.0 -11.7 14.9 105 151 A K H > S+ 0 0 97 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.763 106.5 49.9 -73.4 -26.5 14.9 -10.0 16.2 106 152 A V H X S+ 0 0 1 -4,-0.9 4,-3.5 2,-0.2 5,-0.2 0.862 102.5 58.6 -78.9 -38.7 16.6 -6.6 15.5 107 153 A K H X S+ 0 0 110 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.759 110.1 45.6 -62.6 -24.7 17.5 -7.6 11.9 108 154 A A H X S+ 0 0 62 -4,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.801 113.0 48.8 -86.6 -34.3 13.8 -8.2 11.3 109 155 A W H X S+ 0 0 44 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.921 112.4 49.0 -67.2 -46.2 12.8 -4.9 13.0 110 156 A K H X S+ 0 0 53 -4,-3.5 4,-2.9 1,-0.2 5,-0.2 0.915 110.7 50.2 -58.4 -47.8 15.4 -3.0 11.0 111 157 A K H X S+ 0 0 138 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.898 114.8 42.5 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1,-0.3 -55,-0.2 0.548 87.1 23.6 -91.2 -12.5 13.7 29.2 88.5 831 106 D L E -c 775 0J 29 -57,-1.5 -55,-3.1 17,-0.1 2,-0.4 -0.976 65.5-157.4-157.7 134.2 11.6 30.4 85.6 832 107 D I E -ce 776 850J 0 17,-2.5 19,-2.8 -2,-0.3 2,-0.5 -0.960 8.2-155.5-119.8 135.0 8.0 31.6 85.0 833 108 D I E +ce 777 851J 0 -57,-2.4 -54,-1.5 -2,-0.4 -55,-1.5 -0.933 23.4 159.7-114.2 118.4 6.1 31.6 81.7 834 109 D V E - e 0 852J 0 17,-1.9 19,-3.3 -2,-0.5 2,-0.1 -0.901 40.7-102.1-132.7 160.6 3.2 34.0 81.1 835 110 D Y E > - e 0 853J 57 -2,-0.3 3,-1.3 17,-0.2 19,-0.2 -0.410 34.8-116.9 -72.2 157.6 1.3 35.5 78.2 836 111 D S T 3 S+ 0 0 52 17,-1.4 18,-0.1 1,-0.3 -1,-0.1 0.607 117.1 53.5 -72.3 -10.6 2.1 39.0 77.2 837 112 D T T 3 S+ 0 0 124 16,-0.3 -1,-0.3 4,-0.0 2,-0.2 0.316 79.1 122.1-104.6 5.5 -1.4 40.0 78.1 838 113 D D X - 0 0 23 -3,-1.3 3,-0.7 1,-0.1 -4,-0.1 -0.520 53.3-152.2 -69.9 133.3 -1.2 38.5 81.6 839 114 D K T 3 S+ 0 0 200 -2,-0.2 3,-0.4 1,-0.2 -1,-0.1 0.639 86.9 62.2 -84.2 -15.2 -1.9 41.1 84.2 840 115 D D T 3> + 0 0 57 1,-0.2 4,-1.9 2,-0.1 3,-0.3 0.043 64.9 117.8-101.0 27.0 0.2 39.6 87.1 841 116 D I H <> S+ 0 0 33 -3,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.909 75.8 49.6 -59.2 -45.1 3.5 39.9 85.2 842 117 D A H > S+ 0 0 73 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.785 109.0 54.7 -66.9 -27.3 5.0 42.3 87.8 843 118 D A H > S+ 0 0 40 -3,-0.3 4,-0.5 1,-0.2 3,-0.4 0.879 110.0 44.4 -71.5 -40.2 3.9 39.9 90.5 844 119 D Y H >X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.6 0.776 101.6 68.8 -74.4 -28.3 5.7 37.0 88.9 845 120 D Q H 3< S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.790 97.0 53.5 -61.6 -28.7 8.8 39.1 88.3 846 121 D A H 3< S+ 0 0 94 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.772 110.9 46.3 -76.8 -27.0 9.4 39.2 92.0 847 122 D V H << S- 0 0 50 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.1 0.949 127.4 -23.5 -80.9 -53.7 9.3 35.5 92.4 848 123 D A S < S- 0 0 7 -4,-2.1 -1,-0.3 -20,-0.0 -17,-0.1 -0.944 85.5 -64.1-152.5 165.1 11.5 34.3 89.5 849 124 D P - 0 0 89 0, 0.0 -17,-2.5 0, 0.0 2,-0.6 -0.415 56.8-142.9 -57.0 129.1 12.8 35.4 86.1 850 125 D T E -e 832 0J 28 -19,-0.2 2,-0.8 -2,-0.1 -17,-0.2 -0.872 10.6-155.6-109.3 114.6 9.7 35.7 83.9 851 126 D V E -e 833 0J 50 -19,-2.8 -17,-1.9 -2,-0.6 2,-0.6 -0.779 16.3-153.7 -84.4 112.5 9.7 34.8 80.3 852 127 D V E -e 834 0J 69 -2,-0.8 2,-0.5 -19,-0.2 -17,-0.2 -0.793 11.4-162.3 -93.1 120.6 6.8 36.8 78.7 853 128 D V E -e 835 0J 24 -19,-3.3 -17,-1.4 -2,-0.6 2,-0.7 -0.903 14.2-147.7-114.7 122.1 5.5 35.1 75.6 854 129 D D >> - 0 0 56 -2,-0.5 3,-0.8 -19,-0.2 4,-0.5 -0.762 8.0-159.0 -81.1 115.2 3.3 36.8 72.9 855 130 D Y G >4 S+ 0 0 39 -2,-0.7 3,-0.9 1,-0.2 -1,-0.2 0.913 89.9 55.3 -58.1 -45.9 1.0 34.1 71.6 856 131 D N G 34 S+ 0 0 117 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.664 93.8 73.7 -62.9 -18.0 0.4 35.9 68.3 857 132 D K G <4 S+ 0 0 137 -3,-0.8 2,-0.4 1,-0.1 -1,-0.2 0.820 98.1 33.9 -74.4 -33.5 4.1 36.1 67.5 858 133 D H << - 0 0 42 -3,-0.9 2,-0.2 -4,-0.5 -1,-0.1 -0.945 70.0-130.2-129.4 145.3 4.8 32.4 66.6 859 134 D K > - 0 0 89 -2,-0.4 4,-3.3 1,-0.1 3,-0.4 -0.495 47.2 -87.8 -85.6 165.2 2.9 29.6 64.8 860 135 D Y H > S+ 0 0 4 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.685 126.4 40.4 -52.1 -31.4 2.7 26.1 66.3 861 136 D L H > S+ 0 0 19 2,-0.2 4,-1.2 1,-0.1 -1,-0.3 0.890 119.2 44.3 -83.3 -42.8 5.9 24.8 64.8 862 137 D E H > S+ 0 0 100 -3,-0.4 4,-1.3 1,-0.2 -2,-0.2 0.794 109.3 60.9 -68.1 -28.7 8.0 28.0 65.4 863 138 D Q H X S+ 0 0 8 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.862 102.9 48.9 -65.3 -37.8 6.4 28.1 68.8 864 139 D Q H X S+ 0 0 5 -4,-0.8 4,-1.3 -5,-0.3 -1,-0.2 0.795 104.3 60.1 -73.4 -29.6 7.9 24.7 69.7 865 140 D E H X S+ 0 0 60 -4,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.872 103.4 52.1 -61.4 -38.3 11.3 26.0 68.5 866 141 D M H >X S+ 0 0 73 -4,-1.3 4,-1.9 1,-0.2 3,-0.7 0.900 106.0 52.2 -65.5 -44.1 11.1 28.7 71.1 867 142 D L H 3X S+ 0 0 5 -4,-1.4 4,-1.3 1,-0.2 6,-0.3 0.798 104.6 58.9 -61.6 -29.4 10.4 26.2 73.9 868 143 D G H 3<>S+ 0 0 0 -4,-1.3 5,-0.9 1,-0.2 4,-0.3 0.764 105.1 48.9 -70.6 -26.6 13.5 24.3 72.7 869 144 D K H X<5S+ 0 0 118 -4,-0.8 3,-0.6 -3,-0.7 -2,-0.2 0.885 104.6 58.5 -77.1 -43.6 15.6 27.4 73.3 870 145 D I H 3<5S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.872 120.2 28.1 -51.2 -42.7 14.2 27.9 76.8 871 146 D V T 3<5S- 0 0 46 -4,-1.3 -1,-0.2 -99,-0.0 -2,-0.2 0.336 108.9-117.5-107.3 5.2 15.4 24.5 77.9 872 147 D G T < 5S+ 0 0 59 -3,-0.6 2,-0.4 -4,-0.3 3,-0.3 0.622 80.2 120.5 71.1 14.4 18.4 24.1 75.5 873 148 D K >< + 0 0 87 -5,-0.9 4,-0.9 -6,-0.3 3,-0.2 -0.396 26.4 141.9-101.5 53.8 17.0 21.1 73.6 874 149 D E H > + 0 0 82 -2,-0.4 4,-1.0 -6,-0.3 -1,-0.2 0.777 69.4 47.8 -67.5 -30.5 17.1 23.1 70.4 875 150 D D H > S+ 0 0 121 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.730 102.2 63.0 -84.3 -23.9 18.2 20.1 68.3 876 151 D K H > S+ 0 0 98 -3,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.765 104.6 48.9 -71.3 -26.0 15.6 17.8 69.8 877 152 D V H X S+ 0 0 3 -4,-0.9 4,-3.3 2,-0.2 5,-0.2 0.856 103.5 58.8 -79.3 -38.9 12.9 20.0 68.3 878 153 D K H X S+ 0 0 114 -4,-1.0 4,-1.1 1,-0.2 -2,-0.2 0.746 108.8 46.7 -63.1 -23.9 14.5 20.1 64.8 879 154 D A H X S+ 0 0 62 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.818 113.2 47.2 -86.5 -35.1 14.2 16.3 64.8 880 155 D W H X S+ 0 0 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1,-0.3 -1,-0.2 0.765 92.2 71.4 -64.8 -25.9 -16.8 10.1 57.1 1026 301 D A T 3< 0 0 18 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.357 360.0 360.0 -76.5 8.3 -16.0 10.1 53.4 1027 302 D K < 0 0 210 -3,-1.3 -1,-0.2 -34,-0.2 -34,-0.0 -0.207 360.0 360.0 54.7 360.0 -18.1 6.9 53.2