==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-FEB-12 4DXW . COMPND 2 MOLECULE: ION TRANSPORT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALPHA PROTEOBACTERIUM HIMB114; . AUTHOR X.ZHANG,W.L.REN,C.Y.YAN,J.W.WANG,N.YAN . 830 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 82.9 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 . 23 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 541 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 4 0 1 0 4 0 2 0 5 2 1 1 3 0 1 1 0 1 0 0 0 0 0 1 1 3 5 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 2 A T 0 0 143 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 56.9 50.1 -64.0 58.3 2 3 A P + 0 0 92 0, 0.0 59,-0.0 0, 0.0 58,-0.0 0.604 360.0 97.4 -95.7 -16.6 51.6 -60.8 56.7 3 4 A F S S+ 0 0 131 1,-0.2 3,-0.2 2,-0.1 54,-0.1 0.759 94.2 27.7 -45.8 -42.8 53.3 -62.7 53.8 4 5 A F S >> S+ 0 0 40 1,-0.2 2,-6.3 -3,-0.2 3,-2.9 0.943 109.5 63.2 -89.3 -62.7 50.5 -62.1 51.2 5 6 A S T 34 S+ 0 0 59 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 -0.161 117.3 40.0 -53.9 52.6 48.9 -58.8 52.4 6 7 A S T 34 S+ 0 0 77 -2,-6.3 -1,-0.3 -3,-0.2 -2,-0.1 0.236 105.6 61.3 165.7 20.4 52.5 -57.6 51.5 7 8 A L T X4 S+ 0 0 35 -3,-2.9 3,-1.1 2,-0.0 -2,-0.2 0.488 84.8 69.2-137.5 -24.6 53.4 -59.5 48.3 8 9 A K T 3< S+ 0 0 25 -4,-1.2 -3,-0.1 1,-0.2 -4,-0.1 0.592 99.7 64.0 -61.5 -10.0 50.9 -58.3 45.8 9 10 A D T 3 + 0 0 105 -5,-0.3 2,-0.6 91,-0.1 -1,-0.2 0.056 69.7 109.9-114.7 22.8 52.9 -55.1 46.3 10 11 A N <> - 0 0 71 -3,-1.1 4,-3.0 1,-0.2 5,-0.2 -0.897 58.6-147.3 -97.8 117.2 56.4 -56.0 45.1 11 12 A R H > S+ 0 0 102 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.896 100.0 41.8 -40.7 -50.3 57.3 -54.2 41.8 12 13 A I H > S+ 0 0 116 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 111.9 50.4 -75.8 -43.4 59.4 -57.1 40.7 13 14 A F H > S+ 0 0 46 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.861 111.4 54.6 -59.7 -37.6 57.1 -60.0 41.8 14 15 A Q H >X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 3,-0.5 0.999 107.0 45.8 -55.6 -68.3 54.4 -58.0 39.9 15 16 A F H 3X S+ 0 0 78 -4,-2.5 4,-2.7 1,-0.3 -2,-0.2 0.866 113.3 52.7 -52.5 -37.3 56.2 -57.8 36.6 16 17 A T H 3X S+ 0 0 68 -4,-2.5 4,-2.2 2,-0.2 -1,-0.3 0.961 110.0 47.5 -50.1 -54.6 57.1 -61.5 37.0 17 18 A V H X S+ 0 0 36 -4,-2.3 4,-1.4 1,-0.2 3,-0.6 0.857 114.8 46.0 -42.6 -54.2 50.5 -62.8 29.6 23 24 A L H >X S+ 0 0 65 -4,-2.4 2,-4.2 -5,-0.4 4,-2.6 0.997 111.5 50.2 -55.4 -67.9 52.6 -65.7 28.4 24 25 A N H 3< S+ 0 0 3 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 -0.258 116.9 47.6 -63.8 54.0 50.2 -68.3 29.6 25 26 A A H <4 S+ 0 0 0 -2,-4.2 -1,-0.2 -3,-0.6 -2,-0.2 0.230 113.4 39.5-162.1 -29.6 47.7 -66.1 27.7 26 27 A V H << S+ 0 0 65 -3,-1.7 -2,-0.2 -4,-1.4 -3,-0.2 0.731 114.6 53.3 -99.3 -33.3 49.3 -65.5 24.3 27 28 A L S X S+ 0 0 39 -4,-2.6 2,-0.8 -5,-0.3 4,-0.7 0.924 79.6 123.9 -66.8 -45.7 50.7 -69.0 24.0 28 29 A I T 4 S- 0 0 54 -5,-0.5 -1,-0.1 1,-0.3 4,-0.0 -0.475 78.2 -45.5 -67.7 103.7 47.4 -70.7 24.5 29 30 A G T 4 S+ 0 0 49 -2,-0.8 -1,-0.3 344,-0.0 3,-0.2 -0.684 96.7 94.6-172.7 46.2 47.2 -72.3 22.2 30 31 A A T 4 S+ 0 0 78 -3,-0.4 2,-0.2 1,-0.2 -2,-0.1 0.376 104.7 44.5 -80.4 4.1 47.6 -72.5 18.4 31 32 A T < + 0 0 90 -4,-0.7 -1,-0.2 1,-0.1 0, 0.0 -0.722 61.1 109.7-156.9 99.6 51.1 -73.8 19.0 32 33 A T + 0 0 61 -2,-0.2 8,-0.1 -3,-0.2 -1,-0.1 0.233 50.0 103.2-149.1 1.9 52.1 -76.4 21.5 33 34 A Y S S+ 0 0 226 1,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.899 103.6 1.7 -56.5 -46.8 53.0 -79.3 19.1 34 35 A E S S+ 0 0 109 2,-0.1 -1,-0.1 3,-0.0 -3,-0.0 0.820 95.2 111.1-112.0 -50.4 56.7 -78.9 19.4 35 36 A L S S- 0 0 56 1,-0.2 5,-0.3 2,-0.1 4,-0.0 0.078 99.2 -62.4 -42.7 137.3 57.7 -76.1 21.8 36 37 A D >> - 0 0 102 1,-0.2 4,-1.9 3,-0.1 3,-0.8 0.166 55.7-159.8 -27.5 95.3 59.4 -77.4 25.0 37 38 A P H 3> S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.919 92.8 53.2 -51.4 -51.3 56.3 -79.4 26.2 38 39 A L H 3> S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.857 109.8 53.7 -46.4 -37.4 57.8 -79.4 29.7 39 40 A F H <> S+ 0 0 78 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.935 110.5 38.1 -75.7 -48.7 58.0 -75.6 29.2 40 41 A L H X S+ 0 0 10 -4,-1.9 4,-2.1 -5,-0.3 5,-0.2 0.926 116.4 54.6 -65.4 -43.2 54.4 -74.7 28.2 41 42 A E H X S+ 0 0 138 -4,-2.5 4,-2.4 -5,-0.3 3,-0.2 0.934 109.1 48.7 -51.0 -48.9 53.1 -77.3 30.7 42 43 A T H X S+ 0 0 44 -4,-2.0 4,-2.7 -5,-0.3 5,-0.4 0.953 107.4 55.7 -52.9 -52.4 55.2 -75.5 33.3 43 44 A I H X S+ 0 0 12 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.818 109.9 44.6 -53.7 -38.6 53.7 -72.1 32.2 44 45 A H H X S+ 0 0 67 -4,-2.1 4,-2.8 -3,-0.2 -1,-0.2 0.891 111.9 53.9 -71.8 -43.5 50.1 -73.3 32.7 45 46 A L H X S+ 0 0 120 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.921 114.4 39.0 -56.3 -51.8 51.0 -74.9 36.1 46 47 A L H X S+ 0 0 68 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.767 111.4 58.7 -73.9 -28.9 52.6 -71.7 37.5 47 48 A D H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.4 -2,-0.2 0.980 111.6 41.7 -58.3 -53.5 49.9 -69.5 35.9 48 49 A Y H X S+ 0 0 65 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.904 108.8 59.1 -58.0 -41.9 47.4 -71.5 37.9 49 50 A G H X S+ 0 0 30 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.909 103.9 55.4 -53.1 -40.4 49.7 -71.4 40.9 50 51 A I H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.960 107.3 44.6 -60.5 -54.8 49.3 -67.6 40.5 51 52 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.879 111.7 54.1 -60.6 -32.7 45.6 -67.6 40.7 52 53 A I H X S+ 0 0 74 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.933 107.0 53.5 -61.4 -44.4 45.7 -70.0 43.7 53 54 A F H X S+ 0 0 31 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.874 107.8 49.0 -56.1 -43.5 48.0 -67.5 45.2 54 55 A F H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.889 108.0 53.8 -68.2 -37.1 45.5 -64.7 44.7 55 56 A V H X S+ 0 0 53 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.948 110.8 46.4 -58.8 -46.9 42.7 -66.8 46.2 56 57 A I H X S+ 0 0 62 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.910 109.2 57.2 -61.9 -41.0 44.8 -67.3 49.3 57 58 A E H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.984 108.9 43.4 -52.9 -64.7 45.6 -63.6 49.4 58 59 A I H >X S+ 0 0 21 -4,-2.6 4,-3.1 1,-0.2 3,-1.2 0.949 113.4 50.1 -47.8 -61.2 42.0 -62.5 49.5 59 60 A L H 3X S+ 0 0 108 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.898 112.5 50.3 -44.5 -45.0 41.0 -65.1 52.1 60 61 A I H 3X S+ 0 0 35 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.3 0.781 115.7 38.1 -67.5 -32.4 44.0 -64.0 54.2 61 62 A R H << S+ 0 0 69 -4,-2.0 -1,-0.2 -3,-1.2 -2,-0.2 0.820 113.0 58.4 -89.7 -33.1 43.3 -60.2 54.1 62 63 A F H < S+ 0 0 161 -4,-3.1 -2,-0.2 -5,-0.3 -3,-0.2 0.985 101.9 54.9 -44.9 -65.9 39.5 -60.8 54.4 63 64 A I H < 0 0 141 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.793 360.0 360.0 -48.1 -39.9 40.1 -62.7 57.7 64 65 A G < 0 0 97 -4,-0.8 -3,-0.1 -5,-0.2 -2,-0.1 0.588 360.0 360.0 -72.9 360.0 41.9 -59.7 59.1 65 ! 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 66 75 A S > 0 0 118 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.0 33.8 -51.7 47.7 67 76 A G H >> + 0 0 54 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.884 360.0 55.7 -69.1 -42.8 34.0 -52.5 44.0 68 77 A W H 3> S+ 0 0 52 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.686 104.6 51.6 -72.0 -22.0 37.6 -53.8 43.6 69 78 A N H 3> S+ 0 0 65 -3,-0.3 4,-1.5 3,-0.2 -1,-0.3 0.716 113.3 48.4 -80.3 -21.7 37.2 -56.6 46.2 70 79 A I H < S+ 0 0 51 -4,-0.8 3,-0.7 -5,-0.2 4,-0.3 0.934 111.2 39.6 -76.4 -48.4 36.8 -66.9 41.4 78 87 A I H >< S+ 0 0 42 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.848 110.2 60.6 -62.0 -39.1 36.2 -67.5 37.7 79 88 A S T 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.625 93.7 66.8 -67.3 -13.9 40.0 -67.9 37.0 80 89 A L T < S+ 0 0 62 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.622 84.4 92.5 -83.3 -17.5 39.9 -70.9 39.4 81 90 A I < 0 0 90 -3,-1.5 -3,-0.0 -4,-0.3 -4,-0.0 -0.568 360.0 360.0 -80.1 141.9 37.7 -72.9 37.0 82 91 A P 0 0 133 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.758 360.0 360.0 -68.4 360.0 39.1 -75.3 34.4 83 ! 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 84 100 A V 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.7 29.5 -69.7 26.1 85 101 A L > + 0 0 122 2,-0.0 3,-1.8 3,-0.0 4,-0.3 0.553 360.0 79.1-128.5 -25.3 32.5 -71.1 27.8 86 102 A R T 3 S+ 0 0 168 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.807 87.8 72.7 -51.4 -22.9 35.4 -70.6 25.4 87 103 A L T 3> S+ 0 0 62 1,-0.2 4,-0.6 2,-0.1 -1,-0.3 0.043 73.2 88.8 -81.1 23.6 34.9 -67.1 27.0 88 104 A L H X> S+ 0 0 31 -3,-1.8 3,-1.0 2,-0.2 4,-0.9 0.938 79.4 54.0 -78.5 -66.7 36.5 -68.6 30.1 89 105 A R H 3> S+ 0 0 39 -3,-0.4 4,-1.2 -4,-0.3 -2,-0.1 0.720 100.2 66.6 -40.7 -29.9 40.1 -67.8 29.3 90 106 A I H >> S+ 0 0 15 -4,-0.3 3,-1.0 1,-0.2 4,-0.7 0.980 95.0 53.3 -61.4 -55.2 39.1 -64.2 28.8 91 107 A F H X< S+ 0 0 87 -3,-1.0 3,-2.1 -4,-0.6 4,-0.2 0.879 101.9 59.5 -48.2 -47.4 38.2 -63.6 32.4 92 108 A R H >< S+ 0 0 33 -4,-0.9 3,-2.9 1,-0.3 4,-0.3 0.873 93.0 63.8 -51.8 -42.5 41.6 -64.7 33.6 93 109 A V H X< S+ 0 0 0 -4,-1.2 3,-1.3 -3,-1.0 -1,-0.3 0.810 93.9 68.8 -54.0 -24.5 43.5 -62.1 31.6 94 110 A L T X< S+ 0 0 26 -3,-2.1 3,-1.1 -4,-0.7 4,-0.5 0.536 73.5 80.8 -71.8 -10.7 41.6 -59.7 33.9 95 111 A R T <> S+ 0 0 0 -3,-2.9 4,-1.4 1,-0.2 3,-0.3 0.653 75.9 77.8 -74.1 -6.5 43.5 -60.7 37.1 96 112 A L H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.3 -1,-0.2 0.872 90.1 53.4 -61.1 -38.2 46.2 -58.3 35.7 97 113 A I H <4 S+ 0 0 4 -3,-1.1 7,-0.3 1,-0.2 -1,-0.2 0.749 106.2 52.6 -69.6 -25.9 44.1 -55.5 37.0 98 114 A S H 4 S+ 0 0 2 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.766 112.3 46.5 -79.4 -28.0 44.0 -57.2 40.4 99 115 A V H < S+ 0 0 0 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.915 108.1 55.6 -73.8 -46.2 47.8 -57.3 40.4 100 116 A I >X - 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-1.3 -0.735 62.6-161.5-104.5 91.0 48.6 -53.8 39.2 101 117 A P H 3> S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.805 90.1 65.7 -37.8 -32.8 47.1 -51.0 41.4 102 118 A E H 3> S+ 0 0 35 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.863 95.6 50.6 -66.3 -41.8 47.8 -48.7 38.5 103 119 A L H <> S+ 0 0 0 -3,-1.7 4,-2.5 2,-0.2 -1,-0.3 0.869 109.6 55.3 -59.7 -35.8 45.3 -50.3 36.1 104 120 A K H X S+ 0 0 25 -4,-1.3 4,-2.3 -7,-0.3 -2,-0.2 0.967 108.6 45.4 -61.1 -51.2 42.8 -50.0 39.0 105 121 A Q H X S+ 0 0 123 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.866 114.9 49.4 -58.6 -37.5 43.4 -46.2 39.2 106 122 A I H X S+ 0 0 27 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.849 109.2 49.4 -72.1 -42.7 43.2 -45.9 35.4 107 123 A I H X S+ 0 0 35 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.862 110.1 54.3 -59.7 -41.5 39.9 -47.8 35.0 108 124 A E H X S+ 0 0 103 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.961 109.3 45.9 -57.0 -52.1 38.6 -45.6 37.8 109 125 A A H X S+ 0 0 22 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.894 110.7 53.4 -60.3 -40.5 39.5 -42.4 35.9 110 126 A I H >X S+ 0 0 27 -4,-2.3 4,-1.5 2,-0.2 3,-0.5 0.947 105.1 54.1 -57.6 -49.8 38.0 -43.8 32.6 111 127 A L H 3< S+ 0 0 111 -4,-2.5 4,-0.5 1,-0.3 -1,-0.2 0.862 104.6 55.0 -55.5 -33.0 34.7 -44.5 34.5 112 128 A E H >< S+ 0 0 99 -4,-1.7 3,-0.5 1,-0.2 4,-0.5 0.880 103.8 56.7 -63.9 -33.9 34.8 -40.8 35.5 113 129 A S H S+ 0 0 188 -3,-0.5 4,-2.2 -4,-0.5 -1,-0.2 0.983 114.3 38.6 -56.3 -56.9 29.2 -39.4 31.9 116 132 A R H > S+ 0 0 66 -4,-0.5 4,-2.8 1,-0.2 5,-0.3 0.889 115.3 54.0 -61.3 -40.4 30.4 -36.7 29.5 117 133 A V H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.915 106.3 51.3 -61.0 -42.9 31.2 -39.2 26.8 118 134 A F H X S+ 0 0 77 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.939 112.9 47.9 -57.1 -45.4 27.7 -40.7 26.9 119 135 A F H >X S+ 0 0 27 -4,-2.2 4,-2.2 -5,-0.3 3,-0.7 0.970 111.8 45.5 -61.7 -57.0 26.4 -37.2 26.5 120 136 A V H 3X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.3 5,-0.3 0.897 109.9 57.9 -53.0 -39.0 28.6 -36.0 23.7 121 137 A S H 3X S+ 0 0 52 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.3 0.836 103.0 54.3 -62.5 -32.9 27.8 -39.4 22.0 122 138 A L H XX S+ 0 0 7 -4,-1.5 4,-2.0 -3,-0.7 3,-0.9 0.993 109.4 46.5 -58.2 -58.1 24.2 -38.4 22.2 123 139 A L H 3X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.895 113.5 48.2 -49.3 -48.5 25.0 -35.2 20.4 124 140 A L H 3X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.3 -1,-0.3 0.745 107.1 56.8 -65.9 -27.9 27.1 -37.0 17.8 125 141 A F H < S+ 0 0 64 -4,-2.1 3,-0.6 2,-0.1 4,-0.4 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S - 0 0 17 1,-0.1 -1,-0.2 5,-0.0 3,-0.1 -0.163 27.5-130.8 -59.9 125.9 79.2 -49.5 1.9 304 97 B S + 0 0 89 -3,-0.2 4,-0.3 1,-0.2 5,-0.3 -0.109 63.9 8.1 -61.8 176.4 78.2 -53.1 1.2 305 98 B F S S- 0 0 147 1,-0.2 -1,-0.2 3,-0.1 2,-0.0 0.101 88.7 -51.6 -52.2 146.0 77.2 -55.2 4.2 306 99 B L S S+ 0 0 82 -3,-0.1 4,-0.5 0, 0.0 -1,-0.2 -0.981 91.4 53.2-160.4 -6.4 76.8 -54.7 6.9 307 100 B V S > S+ 0 0 111 2,-0.2 4,-1.1 1,-0.1 -2,-0.1 0.782 112.1 49.3 -86.3 -27.3 78.2 -53.3 10.1 308 101 B L H > S+ 0 0 70 -4,-0.3 4,-2.1 2,-0.2 5,-0.2 0.849 96.5 69.6 -79.0 -37.8 78.8 -49.8 8.6 309 102 B R H 4 S+ 0 0 49 -5,-0.3 4,-0.2 1,-0.2 -1,-0.2 0.879 106.0 43.8 -38.8 -42.7 75.4 -49.7 7.2 310 103 B L H >> S+ 0 0 67 -4,-0.5 3,-2.1 1,-0.2 4,-0.5 0.844 101.0 64.7 -79.9 -36.9 74.5 -49.4 10.9 311 104 B L H >X S+ 0 0 33 -4,-1.1 4,-2.6 1,-0.3 3,-1.0 0.842 86.7 73.5 -51.3 -37.2 77.2 -46.9 11.9 312 105 B R H 3X S+ 0 0 29 -4,-2.1 4,-2.1 1,-0.3 -1,-0.3 0.845 91.6 60.6 -44.6 -32.6 75.3 -44.4 9.6 313 106 B I H <> S+ 0 0 17 -3,-2.1 4,-1.2 -4,-0.2 -1,-0.3 0.863 105.2 42.1 -67.6 -40.9 72.8 -44.5 12.5 314 107 B F H < S+ 0 0 14 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.939 110.4 41.0 -48.1 -50.1 76.5 -40.7 12.7 316 109 B V H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.758 103.1 67.9 -73.3 -24.4 72.9 -39.3 12.6 317 110 B L H >X S+ 0 0 27 -4,-1.2 3,-1.7 1,-0.3 4,-0.5 0.725 76.9 86.2 -64.8 -20.8 72.5 -39.6 16.3 318 111 B R H XX + 0 0 2 -4,-1.2 4,-1.0 -3,-0.8 3,-0.7 0.701 67.3 83.6 -48.1 -20.4 75.1 -36.8 16.6 319 112 B L H <4 S+ 0 0 0 -3,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.839 85.2 54.8 -57.5 -36.5 72.2 -34.4 16.3 320 113 B I H X4 S+ 0 0 2 -3,-1.7 3,-1.0 1,-0.3 7,-0.4 0.836 103.6 54.9 -64.4 -37.4 71.4 -34.6 20.0 321 114 B S H << S+ 0 0 4 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.763 107.7 52.6 -62.6 -26.6 75.0 -33.7 20.8 322 115 B V T 3< S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.406 111.2 44.1 -95.1 1.3 74.4 -30.6 18.6 323 116 B I X> - 0 0 4 -3,-1.0 3,-2.4 -4,-0.2 4,-0.8 -0.716 59.7-159.7-156.7 98.2 71.2 -29.3 20.4 324 117 B P H >> S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 3,-0.7 0.803 92.7 60.9 -39.3 -50.2 70.6 -29.1 24.2 325 118 B E H 3> S+ 0 0 41 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.734 96.5 63.7 -62.9 -20.0 66.8 -29.0 24.0 326 119 B L H <> S+ 0 0 0 -3,-2.4 4,-2.3 2,-0.2 -1,-0.3 0.943 104.2 44.7 -65.6 -46.0 67.0 -32.4 22.3 327 120 B K H < S+ 0 0 99 -4,-2.7 3,-0.6 1,-0.3 4,-0.3 0.871 107.8 53.2 -46.4 -40.8 61.5 -41.1 29.1 335 128 B E H >< S+ 0 0 105 -4,-1.7 3,-1.4 -5,-0.2 4,-0.4 0.973 102.0 55.2 -59.0 -52.6 59.4 -39.6 31.9 336 129 B S H 3X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.668 89.5 85.8 -57.3 -12.7 56.1 -40.0 29.9 337 130 B V H S+ 0 0 165 -3,-1.4 4,-2.3 -4,-0.3 3,-0.5 0.997 112.0 38.7 -56.3 -65.2 55.5 -45.0 33.0 339 132 B R H > S+ 0 0 57 -4,-0.4 4,-2.5 1,-0.2 5,-0.4 0.926 115.3 53.9 -47.4 -52.6 51.9 -43.8 32.2 340 133 B V H X S+ 0 0 20 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.865 109.0 50.5 -59.1 -31.1 52.2 -44.9 28.5 341 134 B F H X S+ 0 0 90 -4,-2.0 4,-1.7 -3,-0.5 -1,-0.2 0.946 110.1 45.8 -73.3 -47.3 53.2 -48.3 29.7 342 135 B F H X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.944 113.9 48.7 -62.6 -44.6 50.4 -48.9 32.1 343 136 B V H X S+ 0 0 9 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.861 106.9 59.4 -60.5 -30.8 47.8 -47.7 29.7 344 137 B S H X S+ 0 0 51 -4,-1.3 4,-2.2 -5,-0.4 -1,-0.2 0.860 103.6 50.2 -65.2 -35.0 49.6 -50.0 27.2 345 138 B L H X S+ 0 0 14 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.932 109.8 50.1 -62.4 -48.7 48.7 -52.9 29.5 346 139 B L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 110.0 50.4 -57.7 -42.7 45.1 -51.9 29.7 347 140 B L H X S+ 0 0 25 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.929 107.3 55.1 -61.4 -44.8 45.0 -51.6 25.8 348 141 B F H X S+ 0 0 46 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.959 106.8 49.6 -51.0 -53.6 46.5 -55.1 25.7 349 142 B I H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.951 113.0 46.9 -48.6 -53.2 43.6 -56.4 27.9 350 143 B I H X S+ 0 0 20 -4,-2.4 4,-2.6 1,-0.3 5,-0.3 0.907 112.0 49.8 -58.1 -47.7 41.0 -54.8 25.7 351 144 B L H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -1,-0.3 0.858 111.1 50.7 -55.3 -38.6 42.6 -56.0 22.5 352 145 B Y H X S+ 0 0 4 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.881 109.7 48.9 -75.0 -37.1 42.7 -59.5 23.9 353 146 B I H X S+ 0 0 42 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.942 118.4 39.5 -65.7 -47.6 39.1 -59.5 24.9 354 147 B Y H X S+ 0 0 21 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.830 114.1 53.2 -71.0 -33.7 37.9 -58.3 21.5 355 148 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.739 112.8 45.8 -77.3 -21.9 40.4 -60.4 19.6 356 149 B T H X S+ 0 0 21 -4,-1.3 4,-1.9 2,-0.2 5,-0.3 0.942 113.1 45.5 -81.2 -56.1 39.2 -63.5 21.4 357 150 B M H X S+ 0 0 63 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.912 119.9 49.2 -45.0 -39.7 35.4 -62.8 21.0 358 151 B G H X>S+ 0 0 0 -4,-1.9 4,-3.1 -5,-0.2 5,-0.5 0.923 106.0 48.7 -71.9 -49.6 36.5 -62.0 17.5 359 152 B A H <5S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.729 117.8 46.9 -65.8 -18.6 38.6 -65.1 16.6 360 153 B I H <5S+ 0 0 39 -4,-1.9 4,-0.3 2,-0.1 -2,-0.2 0.882 120.8 33.8 -83.6 -45.5 35.6 -67.0 18.0 361 154 B L H <5S+ 0 0 53 -4,-2.5 3,-0.2 -5,-0.3 -2,-0.2 0.891 133.1 26.1 -77.2 -44.5 32.9 -65.2 16.1 362 155 B F T >X5S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 3,-0.9 0.442 92.8 103.9-103.8 -2.7 34.5 -64.3 12.9 363 156 B G T 34X + 0 0 24 -4,-2.4 3,-1.0 1,-0.1 4,-0.9 -0.708 59.9 168.0-145.6 85.2 37.4 -64.6 7.5 367 160 B P H 3> S+ 0 0 77 0, 0.0 4,-0.9 0, 0.0 5,-0.2 0.526 70.5 82.4 -75.1 -5.7 40.6 -66.4 8.6 368 161 B S H 34 S+ 0 0 97 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.873 116.3 9.2 -58.7 -34.2 42.6 -63.8 6.7 369 162 B R H <4 S+ 0 0 60 -3,-1.0 10,-0.3 -7,-0.1 -1,-0.2 0.385 142.3 33.5-130.4 -2.7 42.1 -61.6 9.7 370 163 B W H < S+ 0 0 0 -4,-0.9 -2,-0.1 -7,-0.2 6,-0.1 0.105 76.1 119.2-144.3 17.4 40.7 -63.7 12.5 371 164 B G S < S- 0 0 40 -4,-0.9 2,-0.2 -5,-0.1 -3,-0.1 0.935 86.3 -6.1 -57.3 -55.6 42.3 -67.0 11.8 372 165 B D S > S- 0 0 71 -5,-0.2 4,-0.8 1,-0.0 5,-0.1 -0.520 85.4 -86.9-124.3-163.8 44.1 -67.3 15.1 373 166 B L H > S+ 0 0 31 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.935 119.7 55.5 -74.5 -44.7 44.7 -65.1 18.2 374 167 B G H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.915 110.5 40.9 -54.0 -55.8 47.7 -63.4 16.7 375 168 B I H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.768 110.1 61.5 -69.3 -21.7 46.2 -62.1 13.5 376 169 B S H X S+ 0 0 0 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.882 108.1 43.6 -66.8 -38.0 43.1 -61.2 15.5 377 170 B L H X S+ 0 0 27 -4,-2.0 4,-2.1 -3,-0.2 5,-0.2 0.924 112.4 50.4 -73.5 -45.2 45.2 -58.8 17.5 378 171 B I H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.928 111.0 51.8 -56.3 -42.3 47.1 -57.4 14.6 379 172 B T H X S+ 0 0 3 -4,-2.3 4,-1.8 -10,-0.3 -2,-0.2 0.941 110.3 46.6 -60.2 -48.8 43.7 -56.8 12.9 380 173 B L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.755 108.9 54.7 -68.1 -23.8 42.4 -55.0 16.0 381 174 B F H X S+ 0 0 25 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.916 107.7 50.5 -71.5 -41.0 45.5 -52.9 16.2 382 175 B Q H <>S+ 0 0 1 -4,-2.6 5,-1.6 1,-0.2 -2,-0.2 0.896 113.4 46.1 -56.4 -39.0 44.9 -51.9 12.6 383 176 B V H ><5S+ 0 0 0 -4,-1.8 3,-1.0 3,-0.2 -1,-0.2 0.793 105.4 60.6 -73.1 -28.6 41.3 -51.1 13.7 384 177 B L H 3<5S+ 0 0 28 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 105.9 46.4 -69.3 -38.2 42.6 -49.1 16.8 385 178 B T T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.313 112.9-123.4 -85.2 3.8 44.4 -46.7 14.7 386 179 B L T X 5 + 0 0 51 -3,-1.0 2,-1.0 1,-0.2 3,-0.5 0.656 51.5 163.5 65.0 19.2 41.4 -46.4 12.4 387 180 B S T 3 S+ 0 0 13 -2,-1.0 3,-1.7 1,-0.1 4,-0.3 0.830 86.4 157.7 50.3 37.4 40.9 -48.5 6.5 389 182 B W T X> + 0 0 0 -3,-0.5 4,-2.2 1,-0.3 3,-1.0 0.645 56.6 76.2 -72.8 -14.9 38.9 -50.2 9.2 390 183 B E H 3> S+ 0 0 16 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.806 92.6 56.0 -63.0 -27.3 35.8 -50.2 7.1 391 184 B T H <4 S+ 0 0 52 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.631 106.7 49.0 -79.1 -15.6 37.4 -53.0 5.2 392 185 B V H <4 S+ 0 0 0 -3,-1.0 4,-0.3 -4,-0.3 -2,-0.2 0.907 124.2 26.9 -86.7 -47.3 37.8 -55.1 8.3 393 186 B M H >X S+ 0 0 2 -4,-2.2 3,-2.5 1,-0.2 4,-1.3 0.912 103.3 73.5 -77.9 -48.7 34.2 -54.7 9.6 394 187 B L H 3X S+ 0 0 51 -4,-2.0 4,-0.8 1,-0.3 -1,-0.2 0.702 96.2 53.0 -51.9 -33.5 32.1 -54.1 6.5 395 188 B P H 34 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.806 107.2 53.2 -64.2 -33.4 32.3 -57.8 5.4 396 189 B M H X> S+ 0 0 5 -3,-2.5 3,-1.2 -4,-0.3 4,-1.0 0.762 100.3 62.5 -73.2 -26.1 31.1 -58.9 8.8 397 190 B Q H 3< S+ 0 0 44 -4,-1.3 -1,-0.2 1,-0.3 -3,-0.1 0.844 93.2 61.7 -67.6 -34.1 28.1 -56.6 8.6 398 191 B E T 3< S+ 0 0 162 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.1 0.119 121.9 22.6 -82.4 23.5 26.9 -58.6 5.5 399 192 B I T <4 S+ 0 0 89 -3,-1.2 2,-0.6 1,-0.5 -2,-0.2 0.113 125.5 37.3-139.0 -86.2 26.6 -61.6 7.8 400 193 B Y >< - 0 0 67 -4,-1.0 3,-1.1 1,-0.2 -1,-0.5 -0.670 65.8-158.9 -75.8 118.1 26.3 -60.8 11.5 401 194 B W T > S+ 0 0 182 -2,-0.6 3,-0.5 1,-0.2 4,-0.2 0.618 91.1 63.4 -70.5 -17.7 24.2 -57.7 11.8 402 195 B W T >> S+ 0 0 70 1,-0.2 4,-1.6 2,-0.1 3,-0.7 0.548 70.5 104.0 -83.1 -8.1 25.6 -57.1 15.2 403 196 B S H <> S+ 0 0 0 -3,-1.1 4,-2.3 -7,-0.3 -1,-0.2 0.838 76.7 55.9 -41.4 -43.2 29.1 -56.6 13.6 404 197 B W H <> S+ 0 0 108 -3,-0.5 4,-2.6 1,-0.2 5,-0.5 0.946 101.7 54.0 -59.5 -48.9 28.7 -52.9 14.1 405 198 B V H <> S+ 0 0 68 -3,-0.7 4,-2.2 -4,-0.2 5,-0.3 0.918 110.4 49.0 -52.2 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67.8 -79.6 -26.8 16.2 -22.1 23.9 691 78 D N H 3> S+ 0 0 77 1,-0.3 4,-2.2 2,-0.3 5,-0.3 0.749 88.1 63.3 -65.1 -24.9 12.4 -21.9 23.8 692 79 D I H 3> S+ 0 0 125 3,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.741 112.9 38.8 -67.7 -21.2 12.5 -20.8 20.2 693 80 D F H <> S+ 0 0 54 -3,-1.6 4,-2.8 2,-0.2 5,-0.3 0.888 115.6 46.8 -91.0 -51.8 14.1 -24.2 19.7 694 81 D D H X S+ 0 0 6 -4,-2.8 4,-1.8 1,-0.2 5,-0.4 0.878 116.9 48.9 -57.5 -36.3 12.0 -26.4 22.1 695 82 D T H X S+ 0 0 66 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.980 113.4 41.7 -67.7 -59.0 8.9 -24.7 20.7 696 83 D V H X S+ 0 0 72 -4,-0.8 4,-2.4 -5,-0.3 -2,-0.2 0.914 123.3 41.1 -56.9 -45.0 9.7 -25.2 16.9 697 84 D I H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.996 116.0 44.6 -66.8 -67.5 10.9 -28.7 17.5 698 85 D V H < S+ 0 0 5 -4,-1.8 4,-0.4 -5,-0.3 -3,-0.2 0.875 118.1 49.8 -42.6 -41.9 8.4 -30.0 20.0 699 86 D A H >X S+ 0 0 47 -4,-2.5 3,-0.8 -5,-0.4 4,-0.6 0.889 109.3 47.0 -68.8 -45.1 5.8 -28.4 17.7 700 87 D I H 3< S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.649 109.2 57.3 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-4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 111.5 44.3 -61.8 -30.3 11.3 -35.8 16.2 722 109 D V H >< S+ 0 0 0 -4,-1.7 3,-0.9 -3,-0.3 -1,-0.3 0.667 103.8 66.2 -86.5 -20.8 14.9 -36.9 17.0 723 110 D L H >X S+ 0 0 20 -4,-1.2 3,-2.1 1,-0.2 4,-0.7 0.747 78.9 79.0 -74.2 -26.0 15.8 -33.3 17.8 724 111 D R H 3X S+ 0 0 8 -4,-1.3 4,-2.3 1,-0.3 3,-0.5 0.810 74.8 80.8 -46.8 -30.5 13.5 -33.3 20.9 725 112 D L H <> S+ 0 0 0 -3,-0.9 4,-2.5 1,-0.3 -1,-0.3 0.838 91.1 49.9 -44.7 -37.4 16.4 -35.2 22.5 726 113 D I H <4 S+ 0 0 7 -3,-2.1 7,-0.4 2,-0.2 -1,-0.3 0.893 106.2 55.0 -73.5 -37.8 18.1 -31.9 23.1 727 114 D S H < S+ 0 0 3 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.908 117.4 35.2 -59.2 -45.2 14.9 -30.4 24.6 728 115 D V H < S+ 0 0 48 -4,-2.3 -2,-0.2 2,-0.0 -1,-0.2 0.915 110.2 62.5 -80.6 -46.0 14.7 -33.1 27.2 729 116 D I X - 0 0 2 -4,-2.5 4,-0.5 -5,-0.3 0, 0.0 -0.681 63.4-172.1 -80.0 130.6 18.4 -33.8 27.9 730 117 D P H > S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.761 77.0 68.0 -97.3 -24.9 19.8 -30.7 29.4 731 118 D E H > S+ 0 0 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> S+ 0 0 69 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.863 117.3 53.4 -53.0 -37.2 38.2 -19.3 17.2 746 133 D V H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.953 103.7 54.1 -65.4 -48.0 37.3 -22.2 14.9 747 134 D F H X S+ 0 0 68 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.943 111.7 46.0 -48.4 -52.9 36.0 -19.9 12.1 748 135 D F H X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.950 112.4 47.3 -59.0 -52.2 39.4 -17.9 12.2 749 136 D V H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.848 111.1 54.8 -62.9 -27.1 41.7 -20.9 12.2 750 137 D S H X S+ 0 0 50 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.948 102.7 54.1 -68.2 -48.2 39.5 -22.3 9.4 751 138 D L H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 110.6 49.9 -46.8 -45.2 40.1 -19.1 7.3 752 139 D L H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.924 107.5 49.7 -62.9 -46.6 43.8 -19.8 7.9 753 140 D L H X S+ 0 0 22 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.798 108.8 58.1 -61.9 -25.6 43.6 -23.5 6.8 754 141 D F H X S+ 0 0 44 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.971 102.6 49.4 -69.0 -53.2 41.8 -22.1 3.8 755 142 D I H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 3,-0.3 0.913 112.0 49.9 -50.3 -47.0 44.7 -19.8 2.8 756 143 D I H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.893 111.7 49.0 -58.2 -41.5 47.1 -22.8 3.1 757 144 D L H X S+ 0 0 16 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.753 110.0 50.9 -70.6 -25.1 44.8 -24.9 1.0 758 145 D Y H X S+ 0 0 1 -4,-1.9 4,-1.9 -3,-0.3 -2,-0.2 0.923 111.9 46.8 -77.4 -46.0 44.5 -22.2 -1.7 759 146 D I H X S+ 0 0 44 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.913 118.8 40.9 -60.4 -44.1 48.2 -21.8 -2.0 760 147 D Y H X S+ 0 0 25 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.832 111.3 55.3 -74.6 -30.9 48.8 -25.5 -2.1 761 148 D A H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.805 117.1 39.3 -70.0 -29.1 45.8 -26.1 -4.4 762 149 D T H X S+ 0 0 8 -4,-1.9 4,-2.7 2,-0.2 5,-0.4 0.952 115.7 46.9 -74.6 -73.0 47.4 -23.6 -6.8 763 150 D M H X S+ 0 0 86 -4,-2.4 4,-2.0 1,-0.2 -3,-0.2 0.893 122.7 43.7 -27.6 -45.8 51.2 -24.5 -6.3 764 151 D G H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.846 107.6 52.0 -85.0 -38.4 49.7 -28.0 -6.9 765 152 D A H X S+ 0 0 8 -4,-1.4 4,-0.8 -3,-0.4 -1,-0.2 0.847 113.9 48.3 -63.0 -34.9 47.3 -27.6 -9.7 766 153 D I H < S+ 0 0 52 -4,-2.7 -2,-0.2 2,-0.2 4,-0.2 0.901 118.1 39.5 -68.4 -45.3 50.2 -25.9 -11.6 767 154 D L H < S+ 0 0 51 -4,-2.0 -2,-0.2 -5,-0.4 3,-0.2 0.852 133.4 19.3 -70.8 -39.2 52.7 -28.7 -10.8 768 155 D F H >X S+ 0 0 0 -4,-2.6 3,-1.9 -5,-0.1 4,-1.1 0.317 88.5 110.3-120.5 2.4 50.5 -31.8 -11.2 769 156 D G T 3< S+ 0 0 9 -4,-0.8 7,-0.2 1,-0.3 -1,-0.1 0.790 86.8 38.8 -54.2 -31.1 47.6 -30.4 -13.2 770 157 D N T 34 S+ 0 0 155 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.235 112.0 53.2-107.8 9.8 48.7 -32.4 -16.2 771 158 D D T <4 S+ 0 0 52 -3,-1.9 -2,-0.2 1,-0.1 -1,-0.1 0.366 128.9 10.7-120.0 -8.6 49.7 -35.8 -14.7 772 159 D D >X + 0 0 19 -4,-1.1 4,-2.6 -3,-0.0 3,-1.7 -0.212 62.8 168.6-171.4 64.0 46.6 -36.4 -12.7 773 160 D P H 3> S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.619 75.6 73.2 -59.3 -13.4 43.8 -34.0 -13.7 774 161 D S H 34 S+ 0 0 97 1,-0.2 -5,-0.1 2,-0.2 4,-0.1 0.799 117.8 16.8 -76.5 -27.3 41.4 -36.2 -11.7 775 162 D R H <4 S+ 0 0 64 -3,-1.7 10,-0.3 -7,-0.2 -1,-0.2 0.655 144.0 27.8-105.9 -24.5 43.0 -34.9 -8.6 776 163 D W H < S+ 0 0 0 -4,-2.6 -2,-0.2 -8,-0.3 -8,-0.1 0.281 81.1 111.8-124.7 6.8 44.7 -31.7 -9.9 777 164 D G S < S- 0 0 41 -4,-1.6 2,-0.2 -5,-0.3 -3,-0.1 0.859 89.7 -9.3 -57.3 -45.9 42.7 -30.6 -13.0 778 165 D D S > S- 0 0 83 -5,-0.2 4,-0.5 1,-0.2 5,-0.0 -0.631 83.1 -86.6-132.4-174.1 41.3 -27.4 -11.6 779 166 D L H >> S+ 0 0 25 -2,-0.2 3,-3.2 -321,-0.2 4,-2.0 0.988 115.1 65.1 -57.1 -75.1 41.1 -25.6 -8.1 780 167 D G H >> S+ 0 0 40 1,-0.3 4,-2.5 2,-0.2 3,-0.7 0.666 111.6 30.7 -11.9 -77.7 37.9 -27.4 -7.0 781 168 D I H 3> S+ 0 0 33 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.677 113.5 64.4 -70.8 -14.9 39.3 -31.0 -6.8 782 169 D S H S+ 0 0 1 -4,-2.0 5,-1.6 -3,-0.3 -2,-0.2 0.898 113.0 45.9 -61.2 -39.9 41.7 -35.5 1.9 789 176 D V H ><5S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.909 106.4 59.6 -63.4 -42.8 45.5 -35.2 2.5 790 177 D L H 3<5S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 107.8 45.3 -54.5 -34.3 44.7 -32.7 5.3 791 178 D T T 3<5S- 0 0 19 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.160 110.2-128.5 -93.8 12.9 42.7 -35.5 7.0 792 179 D L T X 5 + 0 0 54 -3,-2.3 2,-0.8 1,-0.2 3,-0.5 0.592 51.0 160.6 46.1 19.0 45.6 -37.9 6.2 793 180 D S T 3 S+ 0 0 9 -2,-0.8 3,-0.7 1,-0.1 -1,-0.3 0.885 85.7 159.7 38.0 58.6 44.9 -42.7 2.4 795 182 D W T X> + 0 0 2 -3,-0.5 4,-1.7 1,-0.2 3,-1.3 0.589 53.3 79.4 -90.3 -12.4 46.9 -39.7 1.1 796 183 D E H 3> S+ 0 0 19 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.662 87.1 63.5 -70.3 -14.2 49.8 -41.8 -0.2 797 184 D T H <4 S+ 0 0 54 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.709 104.8 46.1 -74.4 -23.9 47.5 -42.5 -3.2 798 185 D V H <> S+ 0 0 0 -3,-1.3 4,-0.6 -4,-0.1 -2,-0.2 0.891 122.3 33.2 -80.0 -44.7 47.6 -38.7 -4.0 799 186 D M H X S+ 0 0 1 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.802 102.3 68.8 -88.7 -36.2 51.4 -38.3 -3.6 800 187 D L H >X S+ 0 0 60 -4,-1.8 4,-1.1 1,-0.2 3,-0.9 0.900 98.1 52.2 -63.8 -43.2 53.0 -41.5 -4.8 801 188 D P H >> S+ 0 0 44 0, 0.0 4,-1.3 0, 0.0 3,-1.2 0.958 112.1 47.6 -46.0 -56.0 52.0 -41.0 -8.5 802 189 D M H 3X S+ 0 0 2 -4,-0.6 4,-2.0 1,-0.3 7,-0.4 0.576 106.0 61.1 -63.7 -11.1 53.6 -37.5 -8.4 803 190 D Q H << S+ 0 0 35 -3,-0.9 -1,-0.3 -4,-0.8 -3,-0.1 0.708 100.3 51.6 -91.3 -23.3 56.6 -39.0 -6.7 804 191 D E H << S+ 0 0 172 -3,-1.2 -2,-0.2 -4,-1.1 3,-0.2 0.882 122.2 32.9 -71.1 -42.2 57.5 -41.3 -9.7 805 192 D I H < S+ 0 0 88 -4,-1.3 2,-0.5 1,-0.2 -2,-0.2 0.914 126.0 38.2 -78.1 -48.2 57.3 -38.3 -12.0 806 193 D Y >< - 0 0 64 -4,-2.0 3,-2.5 -5,-0.2 -1,-0.2 -0.915 65.1-156.8-119.8 106.4 58.6 -35.5 -9.7 807 194 D W T > S+ 0 0 185 -2,-0.5 3,-0.5 1,-0.3 -1,-0.1 0.822 92.7 53.1 -51.4 -43.4 61.4 -36.3 -7.2 808 195 D W T >> + 0 0 69 1,-0.2 4,-1.2 2,-0.1 3,-1.1 0.440 70.0 119.2 -70.8 -4.7 60.6 -33.5 -4.8 809 196 D S H <> S+ 0 0 0 -3,-2.5 4,-2.5 -7,-0.4 3,-0.4 0.785 71.1 56.8 -35.8 -46.6 56.9 -34.5 -4.4 810 197 D W H <>>S+ 0 0 97 -3,-0.5 4,-3.7 1,-0.3 5,-0.6 0.915 97.8 58.4 -58.8 -47.6 57.3 -35.0 -0.7 811 198 D V H <>5S+ 0 0 74 -3,-1.1 4,-1.4 1,-0.2 5,-0.3 0.923 112.0 45.4 -45.4 -44.7 58.6 -31.5 0.1 812 199 D Y H X5S+ 0 0 1 -4,-1.2 4,-1.9 -3,-0.4 -2,-0.2 0.992 122.7 32.4 -61.3 -60.1 55.3 -30.4 -1.4 813 200 D F H X5S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.928 119.1 51.0 -69.2 -44.7 53.1 -32.9 0.4 814 201 D F H X5S+ 0 0 25 -4,-3.7 4,-3.6 2,-0.2 -3,-0.2 0.928 111.4 46.0 -60.8 -51.1 55.0 -33.1 3.7 815 202 D S H XX S+ 0 0 31 -4,-2.2 4,-1.4 -5,-0.3 3,-1.2 0.975 115.7 38.1 -67.2 -56.7 43.9 -21.8 22.0 831 218 D I H >X S+ 0 0 4 -4,-3.5 2,-2.0 1,-0.3 4,-1.6 0.977 109.0 61.6 -58.3 -57.7 40.5 -23.3 22.7 832 219 D L H 3< S+ 0 0 20 -4,-4.3 -1,-0.3 1,-0.3 -3,-0.1 0.150 109.0 46.4 -61.3 30.2 41.8 -25.4 25.6 833 220 D V H <> S+ 0 0 37 -2,-2.0 4,-0.8 -3,-1.2 -1,-0.3 0.460 102.0 58.7-134.4 -27.9 42.8 -22.1 27.3 834 221 D D H X S+ 0 0 25 -4,-1.6 3,-1.7 1,-0.3 4,-0.8 0.970 109.4 48.1 -61.1 -56.5 37.6 -22.5 28.7 836 223 D V H 3> S+ 0 0 34 1,-0.3 4,-2.4 -5,-0.2 -1,-0.3 0.751 98.2 77.4 -54.5 -18.5 40.0 -22.9 31.6 837 224 D I H 3< S+ 0 0 115 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.908 87.8 54.6 -58.7 -41.8 39.9 -19.1 31.5 838 225 D Q H << S+ 0 0 106 -3,-1.7 -1,-0.2 -4,-0.8 -2,-0.2 0.910 111.5 45.8 -54.1 -42.9 36.4 -19.1 33.2 839 226 D K H < 0 0 92 -4,-0.8 -2,-0.2 -3,-0.1 -1,-0.2 0.946 360.0 360.0 -69.4 -52.8 37.9 -21.2 36.0 840 227 D K < 0 0 102 -4,-2.4 -3,-0.1 -628,-0.1 -1,-0.1 0.069 360.0 360.0 97.7 360.0 41.2 -19.2 36.7