==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 12-JUN-11 3SF5 . COMPND 2 MOLECULE: UREASE ACCESSORY PROTEIN UREF; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR Y.H.FONG,Y.W.CHEN,K.B.WONG . 980 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 739 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 10.3 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 79 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.1 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 2 0 2 0 2 6 2 0 4 4 2 0 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 4 0 0 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 0 0 1 5 2 2 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 2 0 0 0 2 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 26 A N 0 0 100 0, 0.0 679,-0.1 0, 0.0 680,-0.0 0.000 360.0 360.0 360.0 -42.7 -18.0 47.0 92.7 2 27 A A + 0 0 89 1,-0.1 2,-1.0 2,-0.1 676,-0.1 0.227 360.0 105.5 -86.6 14.8 -20.5 44.7 94.5 3 28 A H - 0 0 122 675,-0.1 2,-0.6 674,-0.1 -1,-0.1 -0.735 52.2-170.7-102.6 86.9 -19.1 41.7 92.6 4 29 A V - 0 0 51 -2,-1.0 2,-0.6 111,-0.1 3,-0.1 -0.670 5.8-160.9 -77.1 118.2 -17.0 39.6 95.0 5 30 A D >> - 0 0 31 -2,-0.6 4,-2.5 672,-0.2 3,-0.8 -0.901 11.0-155.9-102.7 118.7 -15.0 37.0 93.0 6 31 A N H 3> S+ 0 0 40 -2,-0.6 4,-3.0 1,-0.2 5,-0.3 0.858 92.7 65.0 -58.7 -36.6 -13.8 34.1 95.2 7 32 A E H 34 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.867 113.4 32.9 -55.6 -39.1 -11.0 33.4 92.7 8 33 A F H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.806 114.8 58.5 -85.7 -34.2 -9.5 36.8 93.5 9 34 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.919 102.2 53.7 -63.9 -42.9 -10.6 36.9 97.2 10 35 A I H X S+ 0 0 1 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.840 111.0 47.4 -61.3 -33.1 -8.7 33.7 98.0 11 36 A L H > S+ 0 0 17 -4,-0.5 4,-0.6 -5,-0.3 -1,-0.2 0.880 110.8 52.5 -72.3 -39.0 -5.5 35.2 96.5 12 37 A Q H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.918 110.5 44.5 -65.1 -46.2 -6.1 38.5 98.4 13 38 A V H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.720 117.9 45.2 -74.1 -20.9 -6.4 36.9 101.9 14 39 A N H 3< S+ 0 0 19 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.446 85.5 123.1 -97.8 -4.5 -3.4 34.6 101.3 15 40 A D S X< S- 0 0 20 -4,-0.6 3,-2.2 -3,-0.5 -3,-0.1 -0.316 72.3-125.7 -57.7 136.1 -1.3 37.4 99.8 16 41 A A T 3 S+ 0 0 42 1,-0.3 7,-0.2 3,-0.1 -1,-0.2 0.750 111.7 53.6 -56.1 -22.4 1.9 37.8 101.7 17 42 A V T 3 S+ 0 0 41 2,-0.1 -1,-0.3 -5,-0.1 -2,-0.1 0.408 70.5 127.8 -97.4 0.8 0.9 41.5 102.2 18 43 A F S < S- 0 0 9 -3,-2.2 2,-2.2 1,-0.1 4,-0.4 -0.483 73.0-115.9 -58.3 117.0 -2.5 40.8 103.7 19 44 A P S S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.327 83.1 107.0 -74.5 71.8 -2.1 42.9 106.9 20 45 A I S S- 0 0 5 -2,-2.2 85,-0.2 89,-0.0 86,-0.1 0.363 87.0-110.4-121.2 0.3 -2.2 40.5 109.8 21 46 A G > + 0 0 16 -3,-0.3 3,-1.4 84,-0.1 4,-0.1 0.750 63.1 148.0 83.8 26.8 1.5 40.6 110.8 22 47 A S G > + 0 0 15 -4,-0.4 3,-2.4 1,-0.3 -5,-0.1 0.885 66.6 66.0 -56.7 -41.3 2.6 37.2 109.8 23 48 A Y G 3 S+ 0 0 162 1,-0.3 -1,-0.3 -7,-0.2 -2,-0.0 0.647 92.3 62.9 -61.3 -15.5 6.1 38.4 108.9 24 49 A T G < S+ 0 0 37 -3,-1.4 204,-3.5 203,-0.1 205,-0.4 0.409 95.4 76.1 -89.1 2.3 6.7 39.3 112.5 25 50 A H < + 0 0 5 -3,-2.4 142,-0.1 202,-0.2 202,-0.0 -0.913 40.7 173.2-120.6 141.5 6.5 35.6 113.6 26 51 A S > - 0 0 1 203,-2.0 3,-2.1 -2,-0.4 -1,-0.1 0.476 36.6-140.6-114.1 -10.1 8.8 32.6 113.3 27 52 A F T 3 S- 0 0 35 1,-0.3 189,-0.1 202,-0.2 68,-0.1 0.857 80.4 -39.6 50.5 37.9 6.6 30.3 115.4 28 53 A G T 3> S+ 0 0 0 188,-0.1 4,-1.6 187,-0.1 3,-0.4 0.190 114.7 111.6 101.9 -15.8 9.8 28.9 117.0 29 54 A L H <> S+ 0 0 1 -3,-2.1 4,-1.9 1,-0.2 5,-0.1 0.886 73.6 59.4 -57.4 -41.0 12.0 28.9 113.8 30 55 A E H > S+ 0 0 12 199,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.887 102.9 52.7 -56.5 -40.8 14.2 31.7 115.2 31 56 A T H > S+ 0 0 0 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.927 107.7 51.1 -59.2 -46.2 15.0 29.5 118.2 32 57 A Y H <>S+ 0 0 0 -4,-1.6 5,-2.8 1,-0.2 6,-1.3 0.838 112.3 48.2 -59.5 -34.7 16.1 26.7 115.8 33 58 A I H ><5S+ 0 0 24 -4,-1.9 3,-1.8 3,-0.2 -2,-0.2 0.935 110.0 48.1 -75.2 -47.1 18.3 29.1 114.0 34 59 A Q H 3<5S+ 0 0 76 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.842 110.6 52.4 -63.5 -33.4 20.1 30.7 116.9 35 60 A Q T 3<5S- 0 0 79 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.320 115.4-121.6 -83.1 8.8 20.8 27.2 118.4 36 61 A K T < 5S+ 0 0 167 -3,-1.8 -3,-0.2 2,-0.2 3,-0.2 0.845 78.1 124.1 52.6 42.1 22.3 26.4 114.9 37 62 A K S S- 0 0 67 1,-0.1 4,-1.8 134,-0.0 5,-0.2 -0.890 88.5 -73.6-159.0-174.4 21.8 25.8 105.6 41 66 A K H > S+ 0 0 65 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.891 124.6 48.5 -60.2 -42.4 19.5 24.8 102.7 42 67 A E H > S+ 0 0 112 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.909 113.4 43.8 -68.4 -44.4 19.5 21.2 103.7 43 68 A S H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.766 111.2 55.9 -74.8 -24.9 18.7 21.7 107.4 44 69 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.895 106.9 48.7 -72.2 -41.4 16.1 24.2 106.6 45 70 A L H X S+ 0 0 33 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.846 110.7 51.6 -66.0 -34.3 14.2 21.8 104.3 46 71 A E H X S+ 0 0 90 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.888 109.2 50.7 -69.3 -38.0 14.4 19.2 107.0 47 72 A Y H X S+ 0 0 0 -4,-1.7 4,-3.5 2,-0.2 5,-0.2 0.925 110.6 48.7 -62.0 -45.4 12.9 21.6 109.5 48 73 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.890 113.0 45.9 -65.2 -42.1 10.1 22.5 107.2 49 74 A K H X S+ 0 0 80 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.909 116.1 47.7 -65.2 -41.4 9.2 18.9 106.5 50 75 A A H < S+ 0 0 3 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.948 117.5 40.8 -62.4 -50.7 9.4 18.2 110.2 51 76 A N H ><>S+ 0 0 9 -4,-3.5 5,-2.0 1,-0.2 3,-0.9 0.895 114.7 50.7 -66.8 -43.5 7.3 21.1 111.2 52 77 A L H 3<5S+ 0 0 2 -4,-2.9 5,-0.3 1,-0.2 -1,-0.2 0.858 111.1 49.0 -63.6 -35.6 4.7 20.8 108.4 53 78 A S T 3<5S+ 0 0 30 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.469 125.4 25.5 -87.2 -2.3 4.2 17.1 109.2 54 79 A S T <>5S+ 0 0 6 -3,-0.9 4,-2.4 -4,-0.4 5,-0.4 0.495 129.6 16.2-119.0 -92.3 3.7 17.8 112.9 55 80 A Q H >>S+ 0 0 15 1,-0.2 4,-1.4 2,-0.2 5,-1.1 0.914 129.6 45.5 -55.9 -49.1 2.5 21.1 114.3 56 81 A F H 4XS+ 0 0 11 -5,-2.0 5,-3.3 3,-0.2 6,-0.3 0.800 116.7 46.1 -69.1 -29.0 1.2 22.5 111.1 57 82 A L H 4>S+ 0 0 6 -6,-0.5 5,-1.9 -5,-0.3 -2,-0.2 0.960 118.9 34.1 -77.4 -55.3 -0.6 19.2 110.2 58 83 A Y H <5S+ 0 0 20 -4,-2.4 148,-2.9 3,-0.2 149,-0.3 0.583 133.9 24.0 -84.5 -10.8 -2.4 18.3 113.4 59 84 A T T X5S+ 0 0 4 -4,-1.4 4,-1.1 -5,-0.4 -3,-0.2 0.734 129.6 29.6-114.6 -56.6 -3.1 21.8 114.6 60 85 A E H ><>S+ 0 0 8 -4,-2.0 5,-3.0 -5,-0.2 3,-0.7 0.864 106.3 57.1 -68.5 -36.0 -18.6 22.3 110.7 71 96 A A H ><5S+ 0 0 8 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.864 99.4 58.9 -62.7 -36.8 -19.3 25.6 108.9 72 97 A L H 3<5S+ 0 0 104 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 113.0 39.7 -61.2 -28.1 -20.9 23.7 106.0 73 98 A Q T <<5S- 0 0 144 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.285 112.4-120.4-103.1 6.8 -23.4 22.3 108.6 74 99 A Q T < 5 + 0 0 140 -3,-1.3 2,-1.1 1,-0.2 -3,-0.2 0.875 57.3 157.8 53.6 40.4 -23.7 25.6 110.4 75 100 A D >< + 0 0 61 -5,-3.0 4,-1.4 1,-0.2 -1,-0.2 -0.699 8.5 164.9 -97.7 82.7 -22.4 23.8 113.6 76 101 A L H > S+ 0 0 23 -2,-1.1 4,-2.6 1,-0.2 5,-0.2 0.869 71.0 59.0 -68.5 -38.1 -21.1 26.7 115.6 77 102 A K H > S+ 0 0 174 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 106.0 49.7 -61.3 -36.6 -20.8 24.8 118.9 78 103 A K H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 109.1 52.1 -68.2 -40.6 -18.5 22.4 117.2 79 104 A I H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.934 111.4 45.8 -60.4 -47.7 -16.3 25.2 115.9 80 105 A L H X S+ 0 0 16 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.841 109.4 57.3 -64.6 -32.9 -16.0 26.8 119.3 81 106 A G H X S+ 0 0 32 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.937 107.6 47.1 -61.1 -47.4 -15.3 23.3 120.7 82 107 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.936 111.0 50.4 -58.6 -49.8 -12.3 23.0 118.3 83 108 A E H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.835 109.2 52.5 -62.3 -32.9 -11.0 26.5 119.2 84 109 A E H X S+ 0 0 71 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.919 107.9 50.7 -67.8 -43.8 -11.2 25.7 122.9 85 110 A V H X S+ 0 0 38 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.940 110.0 50.2 -58.3 -49.4 -9.2 22.5 122.5 86 111 A I H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.893 111.1 48.9 -55.0 -44.1 -6.5 24.4 120.6 87 112 A M H < S+ 0 0 33 -4,-1.8 369,-0.4 1,-0.2 -1,-0.2 0.881 115.8 42.3 -67.2 -37.8 -6.2 27.1 123.3 88 113 A L H < S+ 0 0 12 -4,-2.2 311,-1.8 1,-0.2 -1,-0.2 0.626 117.1 48.8 -83.2 -12.9 -6.0 24.5 126.1 89 114 A S H < S+ 0 0 18 -4,-1.5 2,-1.3 -5,-0.2 -2,-0.2 0.647 88.5 84.7-100.5 -20.3 -3.6 22.3 124.2 90 115 A T < + 0 0 8 -4,-1.5 6,-0.2 -5,-0.2 366,-0.1 -0.678 50.5 171.6 -90.1 89.8 -1.1 24.9 123.0 91 116 A S + 0 0 3 -2,-1.3 2,-0.5 364,-0.1 -1,-0.2 0.879 51.4 90.5 -67.1 -42.7 1.3 25.2 126.0 92 117 A P S > S- 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.448 70.1-151.5 -62.1 114.8 4.0 27.3 124.3 93 118 A M H > S+ 0 0 47 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.823 90.1 47.0 -62.0 -41.1 2.7 30.8 125.2 94 119 A E H > S+ 0 0 22 122,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.802 113.1 51.3 -73.9 -27.4 4.2 32.8 122.2 95 120 A L H > S+ 0 0 7 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.924 113.5 44.5 -69.4 -46.8 2.8 30.1 119.9 96 121 A R H X S+ 0 0 15 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.954 116.6 45.4 -61.4 -51.3 -0.6 30.3 121.5 97 122 A L H X S+ 0 0 58 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.920 111.1 53.2 -59.4 -47.2 -0.6 34.2 121.4 98 123 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.949 110.9 45.4 -52.7 -54.7 0.7 34.4 117.9 99 124 A N H X S+ 0 0 11 -4,-2.1 4,-1.4 1,-0.2 35,-0.8 0.862 114.7 48.8 -60.9 -37.4 -2.0 32.1 116.5 100 125 A Q H X S+ 0 0 36 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.868 111.0 49.8 -69.7 -39.5 -4.7 34.0 118.5 101 126 A K H X S+ 0 0 81 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.933 111.5 48.3 -63.2 -47.0 -3.4 37.4 117.3 102 127 A L H X S+ 0 0 1 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.817 111.5 51.2 -65.2 -30.7 -3.4 36.3 113.7 103 128 A G H X S+ 0 0 0 -4,-1.4 4,-1.9 29,-0.4 30,-0.2 0.929 112.0 46.4 -70.0 -47.3 -6.9 35.0 114.1 104 129 A N H X S+ 0 0 64 -4,-2.5 4,-2.3 28,-0.3 5,-0.2 0.958 114.4 45.8 -55.3 -56.3 -8.1 38.3 115.6 105 130 A R H X S+ 0 0 87 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.823 109.2 56.8 -63.1 -32.8 -6.4 40.4 113.0 106 131 A F H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.935 110.6 42.9 -62.2 -47.1 -7.7 38.2 110.2 107 132 A I H X S+ 0 0 17 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.875 115.4 49.0 -68.5 -38.2 -11.4 38.6 111.3 108 133 A K H X S+ 0 0 131 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.812 108.4 54.6 -72.2 -30.0 -10.9 42.3 111.8 109 134 A T H X S+ 0 0 9 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.904 109.8 45.8 -69.4 -42.3 -9.3 42.7 108.4 110 135 A L H >< S+ 0 0 5 -4,-1.9 3,-0.9 1,-0.2 6,-0.2 0.902 112.3 53.5 -62.1 -40.1 -12.3 41.1 106.7 111 136 A Q H 3< S+ 0 0 148 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.859 99.4 60.6 -64.6 -37.4 -14.5 43.3 108.9 112 137 A A H 3< S+ 0 0 23 -4,-1.9 2,-1.4 1,-0.2 -1,-0.3 0.721 88.2 80.2 -64.3 -21.9 -12.8 46.5 107.8 113 138 A M X< - 0 0 3 -3,-0.9 3,-1.9 -4,-0.7 -1,-0.2 -0.684 63.0-179.1 -87.8 87.2 -13.8 45.6 104.2 114 139 A N T 3 S+ 0 0 123 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.796 76.3 59.5 -59.7 -33.2 -17.4 46.9 104.4 115 140 A E T 3 S+ 0 0 84 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.551 87.8 90.5 -75.0 -7.1 -18.3 45.9 100.8 116 141 A L < - 0 0 14 -3,-1.9 2,-0.7 -6,-0.2 -3,-0.1 -0.816 61.5-165.9 -94.6 107.9 -17.4 42.3 101.7 117 142 A D - 0 0 123 -2,-0.8 3,-0.1 1,-0.1 -3,-0.1 -0.841 6.0-174.2 -93.2 112.4 -20.5 40.4 102.9 118 143 A M - 0 0 10 -2,-0.7 4,-0.4 1,-0.2 -1,-0.1 0.530 43.1-114.0 -85.5 -6.8 -19.3 37.2 104.6 119 144 A G > - 0 0 25 1,-0.1 4,-1.8 2,-0.1 -1,-0.2 -0.141 32.6 -69.0 95.1 168.6 -22.9 35.9 105.1 120 145 A E H > S+ 0 0 184 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.871 125.4 50.4 -67.7 -40.2 -25.0 35.2 108.1 121 146 A F H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 111.4 46.8 -70.0 -39.8 -23.1 32.2 109.5 122 147 A F H > S+ 0 0 8 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.896 111.0 53.8 -66.1 -39.0 -19.7 33.8 109.4 123 148 A N H X S+ 0 0 72 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.903 110.6 46.3 -59.1 -42.5 -21.2 36.9 111.0 124 149 A A H X S+ 0 0 38 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.914 112.7 50.0 -66.5 -44.2 -22.6 34.7 113.8 125 150 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 109.7 50.5 -57.4 -48.6 -19.2 32.9 114.2 126 151 A A H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.777 111.6 49.4 -64.3 -27.5 -17.3 36.2 114.4 127 152 A Q H < S+ 0 0 165 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.873 119.2 35.2 -76.5 -39.3 -19.7 37.5 117.1 128 153 A K H < S+ 0 0 121 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.714 88.6 110.1 -91.7 -23.7 -19.5 34.4 119.3 129 154 A T < + 0 0 26 -4,-2.6 -49,-0.0 -5,-0.2 -53,-0.0 -0.237 36.1 177.2 -58.5 139.0 -15.8 33.3 118.8 130 155 A K S S+ 0 0 118 1,-0.1 -1,-0.1 -50,-0.1 -50,-0.0 0.738 77.1 19.7-110.0 -42.2 -13.6 33.8 121.9 131 156 A D S S+ 0 0 42 -51,-0.1 -44,-0.1 -28,-0.0 2,-0.1 -0.509 76.3 172.6-132.4 66.6 -10.2 32.3 120.8 132 157 A P - 0 0 2 0, 0.0 -29,-0.4 0, 0.0 -28,-0.3 -0.438 14.8-155.7 -71.4 147.0 -10.1 32.2 117.0 133 158 A T > - 0 0 5 -30,-0.2 4,-2.3 -31,-0.1 5,-0.4 -0.728 33.2-104.5-110.6 169.7 -6.8 31.3 115.2 134 159 A H H > S+ 0 0 5 -35,-0.8 4,-1.9 -2,-0.3 5,-0.1 0.933 122.0 45.9 -55.3 -45.5 -5.8 32.2 111.7 135 160 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 114.6 43.4 -69.2 -46.1 -6.5 28.6 110.7 136 161 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.953 116.9 46.0 -66.3 -49.0 -9.9 28.1 112.3 137 162 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.889 113.3 50.9 -60.4 -39.9 -11.3 31.5 111.3 138 163 A Y H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.4 -1,-0.2 0.828 106.2 56.3 -66.4 -33.8 -10.0 31.0 107.8 139 164 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.939 109.6 43.4 -63.7 -48.4 -11.7 27.6 107.7 140 165 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.888 112.6 56.2 -63.6 -38.9 -15.1 29.1 108.5 141 166 A F H X S+ 0 0 0 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.936 108.2 45.8 -55.7 -51.6 -14.3 31.9 106.0 142 167 A A H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.7 0.900 115.0 45.9 -62.9 -43.6 -13.7 29.4 103.1 143 168 A A H ><5S+ 0 0 11 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.873 106.9 59.0 -68.7 -37.1 -16.8 27.3 103.8 144 169 A S H 3<5S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.749 111.1 41.9 -63.6 -24.5 -18.9 30.4 104.1 145 170 A L H 3<5S- 0 0 35 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.528 114.8-113.6-100.4 -9.0 -18.0 31.5 100.6 146 171 A G T <<5 + 0 0 61 -4,-0.7 2,-0.4 -3,-0.6 -3,-0.2 0.781 57.0 160.9 80.5 27.4 -18.3 28.0 99.0 147 172 A I < - 0 0 9 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.682 48.1-104.8 -79.2 132.9 -14.6 27.7 98.3 148 173 A E > - 0 0 100 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.287 25.3-126.9 -61.6 142.9 -13.6 24.1 97.7 149 174 A L H > S+ 0 0 20 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.935 105.1 47.3 -59.3 -56.6 -11.7 22.6 100.6 150 175 A K H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 114.9 48.9 -54.9 -41.5 -8.6 21.2 98.9 151 176 A K H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 111.8 49.0 -62.1 -47.0 -8.3 24.6 97.1 152 177 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.909 113.3 46.7 -58.4 -45.9 -8.6 26.4 100.4 153 178 A L H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.894 108.8 56.4 -63.3 -42.0 -6.0 24.2 102.1 154 179 A R H X S+ 0 0 40 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.925 110.0 42.7 -58.1 -50.3 -3.6 24.5 99.1 155 180 A H H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.927 116.2 48.1 -64.0 -46.3 -3.5 28.3 99.3 156 181 A Y H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.932 112.8 49.3 -59.4 -45.9 -3.2 28.4 103.0 157 182 A L H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.904 113.4 44.6 -62.7 -45.3 -0.5 25.8 103.0 158 183 A Y H X S+ 0 0 12 -4,-2.4 4,-3.2 -5,-0.2 -1,-0.2 0.933 112.3 52.4 -65.0 -45.0 1.6 27.5 100.4 159 184 A A H X S+ 0 0 9 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.880 112.5 43.9 -60.2 -42.4 1.2 30.9 102.0 160 185 A Q H X S+ 0 0 19 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.905 114.8 48.6 -71.4 -41.4 2.3 29.8 105.4 161 186 A T H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.2 5,-0.2 0.925 108.3 54.9 -64.2 -44.1 5.2 27.8 104.1 162 187 A S H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.915 107.1 50.6 -53.0 -46.4 6.3 30.7 101.9 163 188 A N H X S+ 0 0 34 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.890 112.5 46.9 -59.8 -40.3 6.5 32.9 105.1 164 189 A M H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.917 111.5 50.2 -67.2 -45.0 8.6 30.2 106.8 165 190 A V H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.902 109.6 52.1 -59.3 -41.6 10.9 29.8 103.8 166 191 A I H X S+ 0 0 34 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.871 106.4 52.4 -67.4 -37.3 11.4 33.6 103.7 167 192 A N H X S+ 0 0 6 -4,-1.8 4,-3.1 2,-0.2 5,-0.4 0.949 109.5 50.5 -59.0 -48.4 12.3 33.8 107.4 168 193 A C H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.928 111.5 48.0 -52.6 -49.0 14.9 31.1 106.7 169 194 A V H <>S+ 0 0 16 -4,-2.4 5,-1.3 4,-0.2 -1,-0.2 0.874 118.6 40.3 -61.3 -38.6 16.3 33.1 103.8 170 195 A K H <5S+ 0 0 115 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.807 126.7 31.4 -79.0 -31.8 16.3 36.3 105.8 171 196 A S H <5S+ 0 0 39 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.778 126.2 30.5-105.9 -31.9 17.6 34.8 109.1 172 197 A V T <5S- 0 0 28 -4,-2.7 -3,-0.1 -5,-0.4 -2,-0.1 0.966 110.9-124.8 -58.4 -57.2 19.9 31.8 108.3 173 198 A P T 5 + 0 0 95 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.641 45.4 174.2 -98.2 173.0 20.5 33.3 105.9 174 199 A L < - 0 0 19 -5,-1.3 2,-0.1 -8,-0.1 -134,-0.0 -0.901 38.1 -99.0-126.4 157.4 20.0 31.6 102.5 175 200 A S > - 0 0 61 -2,-0.3 4,-1.4 1,-0.1 3,-0.5 -0.415 36.8-115.5 -68.8 154.0 20.3 32.7 98.9 176 201 A Q H > S+ 0 0 113 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.857 117.3 55.9 -63.5 -34.1 16.9 33.6 97.4 177 202 A N H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.824 100.4 60.0 -65.4 -31.9 17.3 30.8 94.9 178 203 A D H > S+ 0 0 38 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.916 103.0 51.9 -58.6 -43.6 17.8 28.4 97.8 179 204 A G H X S+ 0 0 1 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.855 109.7 48.9 -61.1 -37.1 14.3 29.4 99.0 180 205 A Q H X S+ 0 0 5 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.867 109.4 51.6 -73.2 -37.8 12.9 28.6 95.5 181 206 A K H X S+ 0 0 45 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.949 112.6 47.1 -59.7 -49.1 14.6 25.2 95.4 182 207 A I H X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.958 110.6 50.3 -56.9 -55.4 13.1 24.5 98.8 183 208 A L H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.826 113.1 47.7 -53.7 -34.9 9.6 25.7 97.9 184 209 A L H >< S+ 0 0 12 -4,-1.8 3,-1.5 1,-0.2 4,-0.3 0.906 107.5 55.3 -73.2 -42.0 9.8 23.5 94.8 185 210 A S H 3< S+ 0 0 41 -4,-2.6 3,-0.4 1,-0.3 -2,-0.2 0.751 102.9 58.7 -58.6 -26.5 11.0 20.4 96.7 186 211 A L T 3X S+ 0 0 1 -4,-1.4 4,-2.9 1,-0.2 -1,-0.3 0.451 77.0 92.7 -89.1 -1.2 8.0 20.7 99.0 187 212 A Q H <> S+ 0 0 1 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.907 88.6 44.1 -63.7 -45.0 5.3 20.3 96.3 188 213 A S H > S+ 0 0 36 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.965 114.8 49.0 -63.3 -52.2 4.9 16.6 96.7 189 214 A P H > S+ 0 0 28 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.890 106.7 59.0 -52.2 -39.9 5.0 16.8 100.5 190 215 A F H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.955 107.1 45.4 -50.4 -55.5 2.3 19.5 100.1 191 216 A N H X S+ 0 0 67 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.835 112.1 52.2 -59.7 -34.6 0.0 17.1 98.3 192 217 A Q H X S+ 0 0 105 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.890 108.2 50.9 -68.7 -39.9 0.7 14.4 100.9 193 218 A L H X S+ 0 0 17 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.884 111.7 46.5 -65.7 -40.8 -0.2 16.7 103.7 194 219 A I H X S+ 0 0 10 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.910 112.1 51.6 -67.7 -43.1 -3.5 17.7 102.1 195 220 A E H X S+ 0 0 119 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.935 112.8 45.8 -53.8 -49.6 -4.2 14.1 101.4 196 221 A K H X S+ 0 0 63 -4,-2.6 4,-1.7 1,-0.2 3,-0.4 0.881 105.1 60.5 -64.2 -40.7 -3.5 13.3 105.1 197 222 A T H < S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.894 103.3 51.1 -56.5 -43.1 -5.6 16.2 106.4 198 223 A L H < S+ 0 0 75 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.843 110.2 50.5 -62.1 -34.3 -8.7 14.7 104.7 199 224 A E H < S+ 0 0 121 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.769 94.7 89.1 -75.9 -27.5 -8.0 11.3 106.4 200 225 A L < - 0 0 9 -4,-1.7 2,-0.2 -3,-0.3 0, 0.0 -0.463 58.4-161.9 -78.5 141.9 -7.6 12.7 109.9 201 226 A D > - 0 0 82 -2,-0.2 3,-2.7 4,-0.0 4,-0.3 -0.684 42.2 -85.5-113.8 175.0 -10.4 13.1 112.4 202 227 A E G > S+ 0 0 99 1,-0.3 3,-1.3 -2,-0.2 -2,-0.0 0.626 116.9 76.6 -60.3 -15.2 -10.6 15.2 115.5 203 228 A S G 3 S+ 0 0 53 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.704 97.6 49.9 -65.4 -16.0 -9.1 12.5 117.7 204 229 A H G X S+ 0 0 26 -3,-2.7 3,-1.6 3,-0.1 -1,-0.3 0.499 82.1 130.6 -97.5 -6.7 -5.8 13.7 116.0 205 230 A L T < S+ 0 0 12 -3,-1.3 -146,-0.2 1,-0.3 3,-0.1 -0.242 80.1 1.2 -55.6 125.8 -6.4 17.3 116.8 206 231 A C T 3 S- 0 0 11 -148,-2.9 195,-0.5 1,-0.2 -1,-0.3 0.815 81.4-167.1 64.7 33.6 -3.4 19.0 118.5 207 232 A T < - 0 0 11 -3,-1.6 195,-0.2 -149,-0.3 -1,-0.2 -0.324 34.6 -99.9 -48.1 124.8 -1.3 15.9 118.4 208 233 A A - 0 0 13 193,-2.9 2,-0.3 -3,-0.1 195,-0.3 -0.234 33.6-158.7 -59.7 131.7 1.6 16.8 120.6 209 234 A S - 0 0 2 1,-0.2 207,-0.2 -3,-0.1 -1,-0.0 -0.754 5.4-163.3 -96.6 159.2 4.9 17.9 119.1 210 235 A V S > S+ 0 0 2 205,-1.1 4,-2.1 -2,-0.3 206,-0.2 0.797 77.0 23.5-108.3 -77.9 8.0 17.6 121.3 211 236 A Q H > S+ 0 0 0 205,-2.1 4,-2.8 1,-0.2 5,-0.2 0.858 121.0 59.4 -64.0 -34.3 11.1 19.6 120.4 212 237 A N H > S+ 0 0 0 203,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.934 107.1 45.4 -59.7 -46.3 8.9 22.0 118.4 213 238 A D H > S+ 0 0 10 202,-0.4 4,-2.1 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2,-0.1 -1,-0.3 0.555 88.0 87.7 -82.4 -7.5 14.7 20.2 89.4 609 141 C L < - 0 0 14 -3,-2.1 2,-0.8 -6,-0.2 -3,-0.0 -0.834 64.0-160.9 -92.3 122.2 12.1 22.1 87.4 610 142 C D - 0 0 54 -2,-0.6 3,-0.1 1,-0.1 -3,-0.1 -0.861 8.8-175.2-107.1 101.4 12.0 20.8 83.8 611 143 C M - 0 0 10 -2,-0.8 4,-0.5 1,-0.2 3,-0.1 0.562 43.7-118.2 -74.3 -8.6 10.3 23.5 81.6 612 144 C G > - 0 0 26 1,-0.1 4,-1.6 2,-0.1 -1,-0.2 -0.230 32.3 -64.7 96.0 174.4 10.4 21.2 78.5 613 145 C E H > S+ 0 0 180 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.871 126.3 49.5 -71.0 -39.7 12.0 21.4 75.1 614 146 C F H > S+ 0 0 30 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.921 110.8 48.5 -69.4 -43.3 10.2 24.4 73.7 615 147 C F H > S+ 0 0 1 -4,-0.5 4,-3.2 2,-0.2 5,-0.2 0.907 110.9 51.6 -63.7 -41.1 10.8 26.7 76.7 616 148 C N H X S+ 0 0 68 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.939 111.3 47.7 -58.3 -47.5 14.5 25.8 76.8 617 149 C A H X S+ 0 0 36 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.926 113.9 47.2 -58.3 -47.0 14.7 26.7 73.1 618 150 C Y H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.919 109.4 53.3 -61.2 -44.1 12.8 29.9 73.7 619 151 C A H < S+ 0 0 16 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.823 110.8 49.0 -61.3 -31.1 15.1 30.7 76.7 620 152 C Q H < S+ 0 0 163 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.894 118.3 35.5 -74.1 -42.6 18.1 30.2 74.4 621 153 C K H < S+ 0 0 122 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.804 85.8 112.9 -86.6 -31.1 17.0 32.4 71.5 622 154 C T < + 0 0 26 -4,-2.6 -49,-0.0 -5,-0.2 -50,-0.0 -0.087 35.6 179.2 -50.0 135.8 15.1 35.3 73.3 623 155 C K S S+ 0 0 125 1,-0.1 -1,-0.1 -50,-0.1 -50,-0.0 0.772 78.1 16.3-104.0 -43.6 16.8 38.7 73.0 624 156 C D S S+ 0 0 42 -51,-0.1 2,-0.1 -28,-0.0 -44,-0.1 -0.584 75.7 175.1-135.0 72.3 14.4 40.9 74.9 625 157 C P - 0 0 3 0, 0.0 -28,-0.4 0, 0.0 -29,-0.4 -0.489 14.4-153.4 -75.7 149.3 12.0 38.9 77.0 626 158 C T > - 0 0 5 -30,-0.2 4,-2.4 -2,-0.1 5,-0.4 -0.770 31.7-107.0-112.3 165.5 9.6 40.7 79.3 627 159 C H H > S+ 0 0 4 -35,-0.7 4,-1.3 -2,-0.3 5,-0.1 0.878 121.8 46.1 -55.7 -37.6 8.0 39.4 82.5 628 160 C A H > S+ 0 0 0 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.891 113.7 44.4 -76.5 -42.2 4.7 39.1 80.6 629 161 C T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.947 115.9 45.8 -68.9 -47.8 6.0 37.4 77.4 630 162 C S H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.866 112.2 53.1 -63.6 -36.1 8.3 34.9 79.2 631 163 C Y H X S+ 0 0 0 -4,-1.3 4,-3.3 -5,-0.4 -1,-0.2 0.895 104.7 56.0 -62.6 -41.9 5.5 34.1 81.6 632 164 C G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.916 111.5 41.9 -56.2 -46.9 3.2 33.5 78.7 633 165 C V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.925 113.4 54.0 -66.6 -46.8 5.5 30.9 77.3 634 166 C F H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.961 110.5 46.0 -47.8 -58.7 6.1 29.5 80.7 635 167 C A H >X>S+ 0 0 0 -4,-3.3 5,-2.5 1,-0.2 4,-0.6 0.910 114.3 46.7 -55.2 -49.8 2.4 29.0 81.3 636 168 C A H ><5S+ 0 0 10 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.878 107.3 57.7 -61.1 -39.6 1.8 27.4 77.9 637 169 C S H 3<5S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 110.7 43.1 -62.9 -29.9 4.7 25.1 78.3 638 170 C L H <<5S- 0 0 23 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.470 115.2-113.8 -95.7 -4.1 3.3 23.6 81.5 639 171 C G T <<5 + 0 0 59 -3,-1.0 2,-0.4 -4,-0.6 -3,-0.2 0.778 55.8 164.3 75.9 27.3 -0.2 23.4 80.2 640 172 C I < - 0 0 8 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.666 45.6-106.8 -78.4 127.9 -1.6 26.0 82.6 641 173 C E > - 0 0 101 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.260 25.6-126.1 -57.7 138.0 -5.0 27.3 81.4 642 174 C L H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 105.3 47.7 -56.2 -52.8 -4.9 30.8 80.0 643 175 C K H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 113.7 49.8 -58.5 -39.0 -7.5 32.5 82.1 644 176 C K H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.940 111.2 48.1 -64.4 -47.4 -6.0 31.0 85.3 645 177 C A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.881 113.6 48.7 -59.0 -40.2 -2.5 32.2 84.2 646 178 C L H X S+ 0 0 1 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.904 108.9 52.7 -66.6 -43.9 -3.9 35.6 83.5 647 179 C R H X S+ 0 0 37 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.925 112.2 43.5 -59.6 -49.2 -5.7 35.9 86.8 648 180 C H H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.883 117.2 46.5 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-43.5 -1.4 48.8 95.6 659 191 C I H X S+ 0 0 34 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.840 107.7 54.5 -64.4 -33.1 1.3 48.2 98.1 660 192 C N H X S+ 0 0 6 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.936 108.7 47.3 -64.7 -46.5 3.4 50.9 96.5 661 193 C C H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.924 111.2 52.8 -56.6 -45.2 0.5 53.3 96.9 662 194 C V H <>S+ 0 0 16 -4,-2.5 5,-1.9 4,-0.2 -2,-0.2 0.907 117.4 36.7 -58.9 -43.9 0.2 52.2 100.5 663 195 C K H <5S+ 0 0 116 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.890 126.6 35.7 -73.0 -40.3 3.8 52.9 101.2 664 196 C S H <5S+ 0 0 36 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.732 125.1 29.2 -96.9 -26.5 4.3 56.0 99.0 665 197 C V T <5S- 0 0 28 -4,-2.8 -3,-0.1 -5,-0.3 -1,-0.1 0.964 111.5-122.8 -66.6 -54.2 1.1 58.0 99.2 666 198 C P T 5 + 0 0 95 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.672 47.5 170.5 -96.7 175.2 0.8 56.9 101.9 667 199 C L < - 0 0 23 -5,-1.9 2,-0.1 -8,-0.1 -134,-0.0 -0.904 38.0 -97.5-132.1 162.3 -2.4 54.9 102.6 668 200 C S > - 0 0 58 -2,-0.3 4,-1.5 1,-0.1 3,-0.2 -0.441 34.1-117.4 -73.7 156.0 -3.7 52.7 105.4 669 201 C Q H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.840 117.0 55.9 -64.5 -32.9 -3.3 49.0 104.9 670 202 C N H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.861 101.8 57.1 -65.9 -35.3 -7.1 48.6 105.1 671 203 C D H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 104.5 52.9 -59.7 -41.3 -7.4 51.1 102.2 672 204 C G H X S+ 0 0 2 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.911 109.7 48.0 -58.1 -43.9 -5.2 48.8 100.2 673 205 C Q H X S+ 0 0 4 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.875 109.6 51.5 -67.4 -39.7 -7.5 45.9 100.9 674 206 C K H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.919 111.9 48.6 -60.7 -44.5 -10.6 47.9 100.0 675 207 C I H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.942 109.8 49.3 -62.5 -51.0 -9.0 48.9 96.7 676 208 C L H < S+ 0 0 0 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.877 113.4 49.1 -56.4 -37.4 -8.0 45.3 95.9 677 209 C L H >< S+ 0 0 5 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.897 109.1 51.4 -68.3 -41.4 -11.6 44.3 96.6 678 210 C S H 3< S+ 0 0 19 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.769 103.7 61.0 -64.3 -26.5 -13.0 47.1 94.5 679 211 C L T 3X S+ 0 0 1 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.496 77.4 91.2 -82.9 -3.1 -10.8 46.0 91.6 680 212 C Q H <> S+ 0 0 1 -3,-1.2 4,-2.0 -4,-0.2 -1,-0.2 0.900 87.1 45.5 -64.0 -43.9 -12.2 42.5 91.3 681 213 C S H > S+ 0 0 17 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.2 0.954 115.7 46.5 -65.3 -50.0 -14.9 43.3 88.7 682 214 C P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.922 107.8 59.2 -54.7 -44.8 -12.5 45.3 86.6 683 215 C F H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.938 108.3 44.6 -44.8 -54.9 -10.0 42.4 86.9 684 216 C N H X S+ 0 0 62 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.841 111.4 52.2 -64.1 -36.1 -12.6 40.1 85.3 685 217 C Q H X S+ 0 0 113 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.841 107.4 53.1 -69.2 -33.5 -13.5 42.6 82.6 686 218 C L H X S+ 0 0 16 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.897 110.3 47.3 -67.4 -40.4 -9.8 43.0 81.7 687 219 C I H X S+ 0 0 11 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.934 112.5 49.5 -64.7 -45.7 -9.4 39.2 81.3 688 220 C E H X S+ 0 0 118 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.948 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