==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-OCT-10 2XUT . COMPND 2 MOLECULE: PROTON/PEPTIDE SYMPORTER FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR S.NEWSTEAD,D.DREW,A.D.CAMERON,V.L.POSTIS,X.XIA,P.W.FOWLER,J. . 1368 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1014 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 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 . 45 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 237 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 705 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.0 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 18 6 0 0 9 0 9 0 0 0 6 3 3 0 3 0 9 3 3 0 0 0 3 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 13 A Q 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.3 56.8 47.0 32.1 2 14 A I > + 0 0 59 124,-0.0 3,-1.5 2,-0.0 4,-0.2 0.407 360.0 93.7-143.8 -24.5 58.8 49.8 33.9 3 15 A P T 3> + 0 0 81 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.565 61.3 90.0 -61.2 -6.8 57.9 49.7 37.7 4 16 A Y H 3> S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.696 80.5 64.2 -58.8 -19.9 60.9 47.4 38.5 5 17 A I H <> S+ 0 0 20 -3,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.967 107.4 36.4 -66.6 -59.6 62.8 50.7 39.1 6 18 A I H > S+ 0 0 51 -3,-0.2 4,-2.7 -4,-0.2 -2,-0.2 0.783 110.5 62.4 -68.0 -29.0 60.8 51.9 42.1 7 19 A A H X S+ 0 0 30 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.930 116.1 32.7 -60.8 -43.5 60.4 48.3 43.4 8 20 A S H X S+ 0 0 11 -4,-1.4 4,-0.8 2,-0.2 3,-0.3 0.834 115.4 57.8 -78.8 -39.3 64.2 48.3 43.8 9 21 A E H >X S+ 0 0 12 -4,-2.7 4,-1.4 1,-0.2 3,-0.8 0.876 100.1 59.7 -60.5 -37.7 64.5 52.0 44.6 10 22 A A H 3X S+ 0 0 31 -4,-2.7 4,-0.7 1,-0.3 -1,-0.2 0.884 104.7 49.9 -55.6 -43.4 62.1 51.5 47.6 11 23 A C H 3X S+ 0 0 13 -4,-0.7 4,-0.9 -3,-0.3 -1,-0.3 0.672 103.7 59.4 -74.0 -18.4 64.7 49.0 49.1 12 24 A E H S+ 0 0 0 -3,-0.4 4,-1.5 2,-0.1 -2,-0.2 0.755 113.7 47.8-104.6 -61.4 72.1 53.3 57.7 20 32 A R H X S+ 0 0 15 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.838 113.6 51.8 -50.8 -43.3 72.5 57.2 57.9 21 33 A N H >< S+ 0 0 2 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.983 110.9 43.1 -56.1 -67.1 70.2 57.2 61.0 22 34 A I H 3> S+ 0 0 0 1,-0.2 4,-2.1 -4,-0.2 5,-0.2 0.634 94.2 89.1 -56.6 -21.9 72.0 54.4 63.1 23 35 A L H 3X S+ 0 0 3 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.855 88.5 39.5 -50.5 -52.1 75.5 55.9 62.2 24 36 A T H XX S+ 0 0 4 -3,-0.8 4,-1.4 -4,-0.5 3,-0.9 0.967 115.5 47.6 -69.4 -52.5 75.9 58.4 65.1 25 37 A P H 3> S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.854 109.1 56.5 -57.4 -34.0 74.4 56.4 68.1 26 38 A F H 3X S+ 0 0 10 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.818 103.3 53.6 -64.7 -33.7 76.4 53.3 67.1 27 39 A L H << S+ 0 0 17 -4,-1.0 -1,-0.2 -3,-0.9 -3,-0.1 0.882 113.3 43.9 -65.9 -38.4 79.7 55.4 67.3 28 40 A M H < S+ 0 0 42 -4,-1.4 3,-0.3 1,-0.1 -2,-0.2 0.799 120.7 40.7 -74.6 -33.8 78.6 56.4 70.9 29 41 A T H < S+ 0 0 108 -4,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.845 119.9 40.7 -85.2 -39.2 77.5 52.8 71.8 30 42 A A S < S+ 0 0 29 -4,-3.2 2,-0.3 -5,-0.2 -1,-0.2 -0.622 89.5 89.6-120.7 75.2 80.4 50.8 70.1 31 43 A L + 0 0 64 -2,-0.4 64,-0.0 -3,-0.3 66,-0.0 -0.927 33.9 176.1-160.7 136.1 83.8 52.6 70.7 32 44 A L S S+ 0 0 169 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.820 79.5 58.7-106.1 -56.7 86.4 52.2 73.5 33 45 A L S S+ 0 0 165 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.731 86.4 95.1 -47.4 -32.9 89.4 54.5 72.5 34 46 A S - 0 0 9 1,-0.1 6,-0.2 6,-0.1 -3,-0.1 -0.492 65.7-162.5 -65.4 121.9 86.9 57.4 72.4 35 47 A I - 0 0 122 4,-0.4 -1,-0.1 -2,-0.3 -4,-0.0 0.832 48.2 -2.1 -83.9-103.0 87.2 59.1 75.8 36 48 A P S S- 0 0 51 0, 0.0 3,-0.4 0, 0.0 5,-0.2 -0.195 79.1 -93.6 -83.8-174.4 84.4 61.5 77.1 37 49 A E S S+ 0 0 137 1,-0.2 4,-0.4 2,-0.2 5,-0.1 0.621 129.5 57.6 -68.2 -15.1 81.2 62.7 75.4 38 50 A E S > S+ 0 0 113 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.823 115.3 34.9 -80.4 -37.6 83.4 65.7 74.3 39 51 A L T 4 S+ 0 0 82 -3,-0.4 -4,-0.4 2,-0.2 -2,-0.2 0.121 111.1 63.3-103.6 17.2 85.8 63.3 72.5 40 52 A R T 4 S+ 0 0 45 -6,-0.2 4,-0.3 3,-0.1 -3,-0.2 0.521 106.2 44.9-110.4 -16.0 83.0 60.8 71.5 41 53 A G T > S+ 0 0 8 -4,-0.4 4,-2.1 2,-0.2 5,-0.3 0.807 105.8 55.8 -94.0 -41.6 81.4 63.4 69.3 42 54 A A T < S+ 0 0 14 -4,-0.8 -1,-0.1 1,-0.2 -3,-0.1 0.172 115.5 44.0 -78.4 16.8 84.5 64.8 67.5 43 55 A V T > S+ 0 0 49 -3,-0.1 4,-1.2 3,-0.1 5,-0.3 0.431 108.0 56.5-128.3 -29.6 85.0 61.1 66.5 44 56 A A H > S+ 0 0 0 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.856 116.6 36.4 -73.2 -37.6 81.4 60.5 65.6 45 57 A K H X>S+ 0 0 4 -4,-2.1 4,-2.4 3,-0.2 5,-0.5 0.820 111.9 61.8 -80.8 -38.2 81.5 63.4 63.1 46 58 A D H 45S+ 0 0 68 -5,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.784 120.3 23.8 -57.0 -40.1 85.2 62.6 62.1 47 59 A V H <5S+ 0 0 59 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.734 127.3 48.0-102.7 -29.5 84.4 59.1 60.7 48 60 A F H >X5S+ 0 0 1 -4,-1.3 4,-1.8 -5,-0.3 3,-1.3 0.917 112.8 44.7 -79.3 -46.3 80.6 59.6 59.9 49 61 A H H 3X5S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 -3,-0.2 0.844 108.8 59.6 -68.0 -25.3 80.8 62.9 58.0 50 62 A S H 3> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.860 108.4 49.4 -87.8 -42.7 81.2 58.7 55.1 52 64 A V H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.851 109.0 55.4 -65.2 -29.3 78.7 61.4 53.9 53 65 A I H >X S+ 0 0 7 -4,-2.2 4,-1.4 1,-0.2 3,-0.8 0.990 109.3 46.2 -58.3 -61.2 81.6 62.9 51.9 54 66 A G H 3X S+ 0 0 10 -4,-1.2 4,-2.1 1,-0.3 -2,-0.2 0.712 108.7 55.2 -52.0 -35.3 82.2 59.5 50.2 55 67 A V H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.859 118.8 33.1 -69.4 -38.8 78.5 59.0 49.4 56 68 A Y H << S+ 0 0 26 -4,-1.6 354,-0.3 -3,-0.8 -2,-0.2 0.543 118.6 56.6 -95.1 -4.9 78.3 62.4 47.6 57 69 A F H >< S+ 0 0 60 -4,-1.4 3,-1.2 -5,-0.1 4,-0.4 0.833 97.2 60.7 -90.0 -42.4 82.0 62.1 46.3 58 70 A F T >X S+ 0 0 38 -4,-2.1 4,-0.8 50,-0.3 3,-0.7 0.806 77.1 85.4 -60.8 -30.9 81.6 58.8 44.5 59 71 A P H 3> S+ 0 0 26 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.710 91.1 56.2 -42.3 -24.3 78.8 60.0 42.0 60 72 A L H <> S+ 0 0 71 -3,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.965 108.6 41.9 -69.3 -57.1 81.9 61.1 39.9 61 73 A L H <4 S+ 0 0 93 -3,-0.7 -1,-0.2 -4,-0.4 4,-0.2 0.351 109.4 68.1 -73.7 7.0 83.5 57.6 39.9 62 74 A G H X S+ 0 0 1 -4,-0.8 4,-1.9 2,-0.1 3,-0.4 0.936 109.3 26.9 -85.6 -61.7 79.9 56.3 39.2 63 75 A G H X>S+ 0 0 18 -4,-1.4 4,-2.2 2,-0.2 5,-0.6 0.774 111.5 69.4 -70.7 -32.9 79.3 57.7 35.7 64 76 A W H <>S+ 0 0 142 -4,-1.8 5,-0.9 1,-0.2 4,-0.5 0.805 113.6 32.3 -56.5 -32.0 83.1 57.7 34.9 65 77 A I H 45S+ 0 0 48 -3,-0.4 5,-0.3 3,-0.2 -2,-0.2 0.838 118.1 57.0 -88.7 -43.1 82.7 53.9 34.9 66 78 A A H <5S+ 0 0 4 -4,-1.9 -2,-0.2 3,-0.1 -3,-0.2 0.578 123.3 18.2 -67.4 -15.5 79.0 54.0 33.7 67 79 A D T <5S+ 0 0 95 -4,-2.2 -3,-0.2 -5,-0.1 -1,-0.1 0.712 132.2 34.5-122.2 -48.1 79.8 56.0 30.4 68 80 A R T S+ 0 0 26 3,-0.1 4,-2.4 2,-0.1 5,-0.2 0.761 116.0 43.2-113.0 -53.3 74.5 51.1 32.9 73 85 A Y H > S+ 0 0 23 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.729 114.9 52.8 -66.1 -29.0 72.9 47.8 34.0 74 86 A N H > S+ 0 0 51 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.871 110.0 48.2 -74.9 -36.3 76.3 46.3 34.6 75 87 A T H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.945 112.1 47.6 -67.1 -52.7 77.3 49.3 36.9 76 88 A I H X S+ 0 0 5 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.838 117.5 43.4 -58.8 -35.6 74.1 49.1 39.0 77 89 A L H X S+ 0 0 27 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.938 116.6 45.4 -74.5 -49.9 74.5 45.3 39.4 78 90 A W H < S+ 0 0 154 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.854 115.7 47.4 -61.7 -39.8 78.3 45.4 40.1 79 91 A L H >X S+ 0 0 20 -4,-3.0 4,-1.7 1,-0.2 3,-0.9 0.766 108.6 53.3 -74.7 -29.4 77.9 48.4 42.6 80 92 A S H 3X S+ 0 0 11 -4,-1.1 4,-3.1 2,-0.2 5,-0.4 0.887 104.3 55.7 -72.0 -36.5 74.9 46.8 44.4 81 93 A L H 3< S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.208 114.7 41.4 -77.9 13.7 77.1 43.6 45.0 82 94 A I H <> S+ 0 0 50 -3,-0.9 4,-1.4 -5,-0.1 28,-0.3 0.449 112.4 54.1-125.1 -32.6 79.5 46.1 46.6 83 95 A Y H X S+ 0 0 2 -4,-1.7 4,-1.5 27,-0.3 -2,-0.2 0.951 115.7 38.1 -68.0 -53.2 76.7 48.1 48.4 84 96 A C H X S+ 0 0 24 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.783 113.7 57.1 -67.6 -32.7 75.3 44.9 50.1 85 97 A V H > S+ 0 0 56 -5,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.862 105.2 52.2 -65.3 -36.0 78.9 43.7 50.6 86 98 A G H X S+ 0 0 0 -4,-1.4 4,-0.9 20,-0.2 -2,-0.2 0.889 112.4 43.9 -64.3 -44.0 79.5 46.9 52.5 87 99 A H H X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 3,-0.4 0.885 111.0 53.7 -67.1 -45.5 76.5 46.2 54.7 88 100 A A H X S+ 0 0 53 -4,-2.6 4,-1.9 1,-0.3 5,-0.3 0.877 105.9 54.8 -58.1 -39.7 77.5 42.5 55.2 89 101 A F H X S+ 0 0 71 -4,-2.0 4,-2.3 3,-0.2 -1,-0.3 0.816 107.3 52.9 -62.8 -33.0 80.9 43.8 56.3 90 102 A L H < S+ 0 0 1 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.969 111.0 39.9 -69.9 -58.2 79.1 46.0 59.0 91 103 A A H >< S+ 0 0 26 -4,-1.8 3,-0.6 78,-0.3 -2,-0.2 0.869 124.1 41.8 -60.2 -39.3 77.0 43.3 60.7 92 104 A I H 3< S+ 0 0 139 -4,-1.9 2,-1.4 1,-0.2 3,-0.4 0.980 119.8 41.5 -72.3 -58.1 79.9 40.8 60.6 93 105 A F T 3< S+ 0 0 96 -4,-2.3 3,-0.4 -5,-0.3 -1,-0.2 -0.400 76.7 137.4 -88.9 58.3 82.7 43.2 61.5 94 106 A E S < S+ 0 0 33 -2,-1.4 2,-0.7 -3,-0.6 -1,-0.2 0.884 72.4 39.2 -68.6 -45.2 80.6 44.9 64.2 95 107 A H S S+ 0 0 149 -3,-0.4 2,-0.3 -4,-0.1 -1,-0.3 -0.743 94.8 106.9-113.0 78.3 83.4 45.1 66.7 96 108 A S > - 0 0 38 -2,-0.7 4,-0.6 -3,-0.4 5,-0.1 -0.978 56.1-150.2-153.5 143.8 86.4 46.0 64.6 97 109 A V H > S+ 0 0 139 -2,-0.3 4,-1.1 2,-0.1 -1,-0.2 0.977 104.7 21.8 -77.1 -63.6 88.5 49.1 64.0 98 110 A Q H > S+ 0 0 158 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.938 119.9 62.3 -69.3 -49.9 89.5 48.4 60.3 99 111 A G H > S+ 0 0 10 1,-0.2 4,-0.8 2,-0.2 -6,-0.2 0.769 104.2 47.1 -47.8 -41.2 86.6 46.0 59.6 100 112 A F H X S+ 0 0 25 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.928 116.0 41.1 -73.6 -47.3 83.9 48.7 60.2 101 113 A Y H X S+ 0 0 72 -4,-1.1 4,-2.7 2,-0.2 5,-0.2 0.948 110.3 57.7 -66.7 -42.2 85.5 51.5 58.1 102 114 A T H X S+ 0 0 65 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.824 110.9 48.1 -52.5 -29.7 86.5 49.0 55.3 103 115 A G H >X S+ 0 0 0 -4,-0.8 3,-1.4 -5,-0.3 4,-1.2 0.982 109.8 47.1 -70.9 -60.5 82.7 48.4 55.4 104 116 A L H 3X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.719 106.5 62.7 -54.1 -26.8 81.6 52.1 55.3 105 117 A F H 3X S+ 0 0 108 -4,-2.7 4,-1.2 2,-0.2 -1,-0.3 0.866 103.7 46.1 -65.8 -41.7 84.2 52.4 52.5 106 118 A L H S+ 0 0 0 -4,-1.2 4,-3.4 2,-0.2 5,-0.8 0.930 106.8 56.7 -73.7 -45.4 78.8 51.7 51.1 108 120 A A H X5S+ 0 0 5 -4,-2.4 4,-0.6 1,-0.2 -50,-0.3 0.809 120.5 27.9 -52.7 -39.7 80.5 55.1 50.1 109 121 A L H X5S+ 0 0 31 -4,-1.2 4,-1.2 3,-0.2 -1,-0.2 0.812 121.0 54.0 -92.4 -33.7 81.3 53.6 46.6 110 122 A G H <5S+ 0 0 0 -4,-2.1 -27,-0.3 -28,-0.3 -2,-0.2 0.842 125.1 23.7 -65.5 -41.1 78.4 51.2 46.4 111 123 A S H X5S+ 0 0 0 -4,-3.4 4,-1.4 -29,-0.1 3,-0.5 0.855 122.1 55.8 -89.0 -50.2 75.8 53.9 47.1 112 124 A G H ><> S+ 0 0 14 -3,-0.5 4,-2.3 -5,-0.2 3,-0.9 0.748 89.1 67.0 -87.3 -34.0 75.0 54.3 41.9 115 127 A K H S+ 0 0 7 -3,-0.9 4,-2.2 2,-0.1 3,-0.5 0.926 110.0 43.1 -87.2 -65.8 73.1 56.0 37.5 118 130 A V H 3X S+ 0 0 18 -4,-2.3 4,-1.2 1,-0.2 -3,-0.1 0.823 111.8 57.3 -49.3 -43.1 69.6 55.0 38.7 119 131 A S H 3X S+ 0 0 32 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.863 112.7 37.1 -57.7 -50.3 68.3 58.6 38.3 120 132 A S H <> S+ 0 0 38 -3,-0.5 4,-0.8 -4,-0.5 3,-0.3 0.866 110.0 66.7 -71.0 -38.9 69.2 59.0 34.6 121 133 A F H X S+ 0 0 5 -4,-2.2 4,-1.4 1,-0.2 3,-0.2 0.732 89.3 62.3 -53.5 -40.8 68.1 55.3 33.9 122 134 A M H >< S+ 0 0 20 -4,-1.2 3,-0.7 1,-0.2 -1,-0.2 0.946 103.7 45.7 -57.0 -53.8 64.4 55.7 34.7 123 135 A G H >< S+ 0 0 28 -4,-0.5 3,-0.7 -3,-0.3 -1,-0.2 0.703 109.1 59.9 -61.8 -23.9 63.6 58.2 31.8 124 136 A D H 3< S+ 0 0 36 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 86.8 72.3 -73.2 -38.9 65.7 56.0 29.5 125 137 A Q T << S+ 0 0 24 -4,-1.4 2,-0.3 -3,-0.7 -1,-0.2 0.400 102.2 48.2 -62.3 5.0 63.4 52.9 30.1 126 138 A F < + 0 0 17 -3,-0.7 -1,-0.1 -4,-0.1 -124,-0.0 -0.922 48.6 138.8-151.7 118.4 60.7 54.7 27.9 127 139 A D S > S+ 0 0 92 -2,-0.3 3,-0.6 3,-0.0 -1,-0.1 0.517 74.9 57.9-126.1 -28.5 61.1 56.4 24.5 128 140 A Q T 3 S+ 0 0 201 1,-0.2 2,-0.2 3,-0.0 -2,-0.1 0.985 120.9 26.3 -70.2 -61.8 58.0 55.3 22.6 129 141 A S T 3> S+ 0 0 84 2,-0.1 2,-2.1 1,-0.0 4,-0.8 -0.263 84.4 155.2 -96.8 42.9 55.4 56.7 25.1 130 142 A N T <4 + 0 0 85 -3,-0.6 -1,-0.0 -2,-0.2 -3,-0.0 -0.501 50.4 67.2 -74.1 73.9 58.0 59.4 26.2 131 143 A K T >4 S+ 0 0 178 -2,-2.1 3,-0.8 0, 0.0 4,-0.3 0.111 102.5 17.8-149.5 -90.2 55.3 61.9 27.5 132 144 A S T >> S+ 0 0 77 1,-0.2 4,-1.0 2,-0.2 3,-0.8 0.712 115.7 67.3 -71.9 -26.2 53.0 61.4 30.5 133 145 A L H 3X S+ 0 0 45 -4,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.709 89.3 67.3 -68.7 -19.6 55.2 58.6 31.9 134 146 A A H <> S+ 0 0 51 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.793 98.0 51.4 -67.9 -33.3 58.0 61.3 32.6 135 147 A Q H <> S+ 0 0 136 -3,-0.8 4,-1.1 -4,-0.3 -1,-0.2 0.896 107.0 53.6 -69.7 -43.3 55.7 62.9 35.2 136 148 A K H X S+ 0 0 131 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.841 102.9 60.1 -57.4 -43.2 55.2 59.5 37.0 137 149 A A H X S+ 0 0 20 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.907 105.5 41.5 -55.2 -59.1 59.0 58.9 37.3 138 150 A F H X S+ 0 0 112 -4,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.788 118.6 49.2 -63.0 -31.8 60.2 62.0 39.4 139 151 A D H X S+ 0 0 95 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.882 109.9 47.9 -75.5 -43.4 57.1 61.6 41.6 140 152 A M H < S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.736 113.5 49.5 -70.1 -24.6 57.5 57.8 42.3 141 153 A F H X S+ 0 0 27 -4,-1.4 4,-0.9 -5,-0.2 3,-0.3 0.794 112.9 47.3 -79.5 -35.6 61.3 58.4 43.1 142 154 A Y H X S+ 0 0 77 -4,-1.1 4,-0.8 1,-0.2 -2,-0.2 0.546 105.5 57.4 -84.6 -10.9 60.2 61.3 45.5 143 155 A F H X S+ 0 0 110 -4,-0.9 4,-0.9 2,-0.2 -1,-0.2 0.507 105.2 54.6 -91.9 -8.8 57.5 59.1 47.2 144 156 A T H > S+ 0 0 14 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.805 103.4 52.8 -88.0 -40.7 60.5 56.7 47.9 145 157 A I H X S+ 0 0 41 -4,-0.9 4,-1.0 2,-0.2 -2,-0.2 0.871 113.6 44.2 -63.1 -41.5 62.6 59.4 49.7 146 158 A N H X S+ 0 0 20 -4,-0.8 4,-0.9 1,-0.2 3,-0.3 0.892 116.1 45.8 -71.0 -43.9 59.6 60.3 52.0 147 159 A F H X S+ 0 0 95 -4,-0.9 4,-1.1 1,-0.2 -2,-0.2 0.688 104.3 67.3 -72.1 -21.1 58.8 56.6 52.7 148 160 A G H X S+ 0 0 0 -4,-1.3 4,-0.8 1,-0.2 3,-0.2 0.890 101.1 43.8 -65.3 -45.4 62.5 56.0 53.3 149 161 A S H < S+ 0 0 7 -4,-1.0 -1,-0.2 -3,-0.3 4,-0.2 0.782 103.8 67.8 -71.3 -29.8 62.7 58.1 56.5 150 162 A F H >X S+ 0 0 79 -4,-0.9 4,-1.7 1,-0.2 3,-0.9 0.875 103.2 44.0 -54.5 -47.1 59.3 56.5 57.7 151 163 A F H 3X>S+ 0 0 58 -4,-1.1 5,-1.1 1,-0.2 4,-1.0 0.769 104.0 66.7 -70.8 -29.7 61.0 53.0 58.1 152 164 A A H 3<5S+ 0 0 2 -4,-0.8 159,-0.2 3,-0.2 -1,-0.2 0.404 114.0 26.9 -74.6 0.8 64.1 54.7 59.8 153 165 A S H <45S+ 0 0 3 -3,-0.9 5,-0.2 -4,-0.2 -2,-0.2 0.658 119.9 46.1-128.3 -44.5 62.1 55.8 62.9 154 166 A L H <5S+ 0 0 123 -4,-1.7 -3,-0.1 157,-0.2 -2,-0.1 0.589 135.4 6.4 -81.8 -12.2 59.1 53.4 63.5 155 167 A S T <5S+ 0 0 45 -4,-1.0 -3,-0.2 -5,-0.2 4,-0.1 0.511 120.4 62.0-144.1 -15.2 61.1 50.1 63.0 156 168 A M S > > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.889 105.6 63.5 -67.6 -34.7 66.1 52.6 65.9 158 170 A L H 3>>S+ 0 0 47 1,-0.3 4,-1.4 -5,-0.2 5,-0.7 0.667 85.9 76.7 -58.7 -20.8 64.2 50.0 68.0 159 171 A L H <45S+ 0 0 27 -3,-0.9 9,-0.3 1,-0.2 -1,-0.3 0.496 97.1 44.5 -71.9 -4.2 66.5 47.3 66.5 160 172 A L H <45S+ 0 0 32 -3,-1.8 5,-0.3 8,-0.1 -1,-0.2 0.709 123.4 31.3-107.3 -31.5 69.4 48.4 68.8 161 173 A K H <5S+ 0 0 78 -4,-0.7 -2,-0.2 3,-0.1 -3,-0.1 0.928 132.4 27.9 -90.4 -65.0 67.5 48.8 72.1 162 174 A N T <5S+ 0 0 107 -4,-1.4 2,-0.3 2,-0.1 -3,-0.2 0.556 132.5 34.5 -76.6 -9.2 64.7 46.1 71.9 163 175 A F S - 0 0 46 -2,-0.3 4,-0.9 1,-0.1 3,-0.2 -0.397 34.9-131.2 -66.5 138.8 70.6 43.1 69.1 165 177 A A H > S+ 0 0 29 -5,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.676 102.4 60.6 -62.7 -22.8 72.9 45.9 67.7 166 178 A A H >> S+ 0 0 31 2,-0.2 4,-0.6 1,-0.2 3,-0.5 0.929 105.5 43.1 -71.6 -50.1 74.5 43.5 65.1 167 179 A V H 3> S+ 0 0 88 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.666 101.9 72.8 -71.3 -18.1 71.2 42.5 63.2 168 180 A A H 3< S+ 0 0 0 -4,-0.9 -1,-0.2 -9,-0.3 -2,-0.2 0.927 107.7 32.8 -61.5 -44.9 70.3 46.3 63.3 169 181 A F H X S+ 0 0 60 -4,-2.2 4,-1.9 2,-0.2 3,-1.1 0.905 98.8 50.0 -59.1 -48.4 68.6 44.3 58.2 172 184 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.914 109.3 55.1 -58.7 -37.9 69.4 47.0 55.5 173 185 A G H 3X S+ 0 0 15 -4,-0.7 4,-0.8 1,-0.2 -2,-0.2 0.701 104.9 51.8 -63.7 -25.7 71.9 44.5 54.0 174 186 A V H X S+ 0 0 12 -4,-2.0 4,-2.1 1,-0.2 3,-0.9 0.879 108.6 55.8 -63.4 -40.4 69.5 42.9 43.3 181 193 A V H 3X S+ 0 0 55 -4,-1.6 4,-1.7 1,-0.3 -2,-0.2 0.903 102.6 56.2 -59.6 -40.5 66.6 40.4 43.1 182 194 A F H 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.697 111.1 44.7 -64.6 -21.3 64.5 43.3 41.5 183 195 A F H << S+ 0 0 19 -3,-0.9 4,-0.3 -4,-0.7 -1,-0.2 0.805 108.0 52.7 -93.0 -33.7 67.2 43.6 38.7 184 196 A W H < S+ 0 0 130 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.806 118.7 41.2 -66.4 -30.1 67.7 39.9 38.0 185 197 A L S < S+ 0 0 107 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 0.525 111.3 56.9 -88.7 -14.1 63.9 40.0 37.6 186 198 A G S S+ 0 0 4 -5,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.368 73.2 109.5 -95.1 -0.2 64.3 43.3 35.8 187 199 A R S S+ 0 0 150 -4,-0.3 -1,-0.2 -3,-0.2 3,-0.1 0.516 71.3 60.2 -55.0 -11.9 66.7 41.7 33.2 188 200 A K S S+ 0 0 168 -3,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.962 99.1 50.5 -80.6 -70.3 64.0 42.0 30.5 189 201 A R S S+ 0 0 114 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.579 76.8 131.7 -77.2 101.5 63.4 45.8 30.3 190 202 A Y + 0 0 117 -2,-0.9 2,-0.3 -3,-0.1 -3,-0.0 -0.943 26.7 179.8-153.8 127.1 66.9 47.4 29.9 191 203 A I - 0 0 51 -2,-0.3 2,-0.4 -70,-0.1 -67,-0.1 -0.968 9.1-159.5-128.7 147.4 68.3 50.0 27.5 192 204 A H + 0 0 75 -2,-0.3 -2,-0.0 -120,-0.1 -121,-0.0 -0.994 11.6 174.5-129.2 132.5 71.7 51.6 27.2 193 205 A M 0 0 115 -2,-0.4 -2,-0.0 1,-0.1 -69,-0.0 -0.636 360.0 360.0-135.8 78.4 72.6 54.9 25.6 194 206 A P 0 0 140 0, 0.0 -126,-0.1 0, 0.0 -1,-0.1 0.894 360.0 360.0 -81.3 360.0 76.4 55.9 26.0 195 ! 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 0.0 196 227 A V > 0 0 151 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 129.0 105.5 86.6 19.1 197 228 A E T 4 + 0 0 176 2,-0.2 4,-0.1 1,-0.2 5,-0.1 0.623 360.0 55.8 -78.8 -17.2 105.9 89.2 22.0 198 229 A G T > S+ 0 0 42 2,-0.1 4,-1.1 3,-0.1 3,-0.4 0.883 113.3 36.2 -80.5 -46.0 102.1 89.6 22.2 199 230 A K H > S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.693 113.6 58.9 -79.9 -25.9 101.2 85.9 22.7 200 231 A G H < S+ 0 0 41 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.1 0.427 110.8 40.7 -84.4 -3.9 104.3 85.1 24.8 201 232 A N H 4 S+ 0 0 116 -3,-0.4 4,-0.3 -4,-0.1 -2,-0.2 0.685 118.3 42.1-111.7 -35.5 103.3 87.8 27.5 202 233 A I H >X S+ 0 0 104 -4,-1.1 4,-0.6 1,-0.2 3,-0.6 0.842 114.2 54.4 -79.2 -37.8 99.5 87.3 27.8 203 234 A G H 3X S+ 0 0 31 -4,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.669 99.1 59.5 -70.1 -25.7 99.9 83.4 27.7 204 235 A L H 3> S+ 0 0 105 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.698 95.6 64.5 -78.4 -20.3 102.4 83.2 30.6 205 236 A V H <> S+ 0 0 84 -3,-0.6 4,-0.5 -4,-0.3 -1,-0.2 0.876 105.7 42.6 -68.5 -42.5 99.9 84.8 33.1 206 237 A L H >< S+ 0 0 26 -4,-0.6 3,-0.8 1,-0.2 4,-0.4 0.899 109.3 55.9 -71.3 -45.9 97.3 81.9 32.8 207 238 A A H >< S+ 0 0 71 -4,-1.1 3,-0.7 1,-0.2 -1,-0.2 0.758 100.7 59.3 -59.4 -33.6 99.9 79.0 32.9 208 239 A L H >X S+ 0 0 115 -4,-1.0 3,-1.5 1,-0.2 4,-1.0 0.765 93.8 63.1 -70.4 -27.8 101.4 80.1 36.3 209 240 A I H X S+ 0 0 65 -4,-1.0 4,-0.7 2,-0.2 3,-0.6 0.901 111.4 42.8 -69.7 -46.3 99.4 78.2 42.3 213 244 A S H 3X S+ 0 0 7 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.769 110.1 57.9 -71.1 -26.9 96.6 75.6 42.4 214 245 A A H 34 S+ 0 0 55 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.579 99.5 60.7 -77.8 -14.1 99.2 72.8 42.4 215 246 A A H X> S+ 0 0 51 -3,-0.6 4,-0.7 -4,-0.4 3,-0.5 0.778 94.0 61.4 -82.6 -32.6 100.8 74.3 45.6 216 247 A Y H 3< S+ 0 0 54 -4,-0.7 3,-0.4 -3,-0.3 4,-0.3 0.797 95.6 60.7 -64.6 -36.0 97.6 73.9 47.8 217 248 A A T >< S+ 0 0 35 -4,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.757 99.6 55.6 -64.0 -30.9 97.5 70.1 47.5 218 249 A L G X4 S+ 0 0 113 -3,-0.5 3,-1.6 -4,-0.3 -1,-0.2 0.804 95.1 65.9 -72.9 -31.7 100.9 69.7 49.2 219 250 A V G 3X S+ 0 0 94 -4,-0.7 4,-0.5 -3,-0.4 -1,-0.2 0.643 94.4 63.0 -63.1 -19.0 99.8 71.7 52.3 220 251 A N G <4>S+ 0 0 20 -3,-0.6 5,-0.8 -4,-0.3 4,-0.4 0.608 87.4 70.3 -84.6 -15.2 97.4 68.7 52.9 221 252 A I T X45S+ 0 0 121 -3,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.967 102.8 40.5 -69.5 -50.3 100.2 66.2 53.4 222 253 A P T 345S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.718 100.1 75.4 -71.4 -17.8 101.4 67.6 56.8 223 254 A T T 3<5S- 0 0 81 -4,-0.5 -2,-0.2 2,-0.1 3,-0.1 0.728 95.4-139.3 -59.2 -26.5 97.7 68.1 57.9 224 255 A L T < 5 + 0 0 154 -3,-1.1 2,-0.8 -4,-0.4 3,-0.1 0.779 44.6 158.9 63.2 34.3 97.6 64.3 58.5 225 256 A G < - 0 0 22 -5,-0.8 5,-0.2 1,-0.2 -1,-0.2 -0.797 25.4-176.6 -90.3 103.4 94.1 64.3 57.0 226 257 A I S S+ 0 0 154 -2,-0.8 -1,-0.2 3,-0.1 4,-0.1 0.923 93.5 3.5 -63.4 -44.1 93.3 60.8 55.7 227 258 A V S >> S+ 0 0 39 -3,-0.1 4,-2.6 2,-0.1 3,-0.7 0.836 134.8 52.1-104.8 -59.9 90.0 62.2 54.4 228 259 A A H 3> S+ 0 0 29 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.873 111.2 51.1 -46.9 -46.9 90.1 66.0 55.1 229 260 A G H 3> S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.802 111.2 47.4 -62.5 -36.1 93.5 66.2 53.3 230 261 A L H <> S+ 0 0 113 -3,-0.7 4,-1.0 -5,-0.2 -2,-0.2 0.954 115.8 43.3 -72.5 -48.2 92.2 64.4 50.3 231 262 A C H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.841 112.6 53.3 -65.8 -35.8 89.0 66.5 50.0 232 263 A C H X S+ 0 0 35 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.878 105.2 54.3 -66.0 -38.3 90.9 69.7 50.6 233 264 A A H X S+ 0 0 20 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.797 113.4 44.5 -63.4 -30.5 93.4 68.9 47.8 234 265 A M H X S+ 0 0 79 -4,-1.0 4,-2.5 2,-0.2 5,-0.2 0.929 114.4 45.5 -78.4 -52.0 90.3 68.5 45.6 235 266 A V H X S+ 0 0 39 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.884 113.6 49.7 -60.8 -45.4 88.3 71.7 46.7 236 267 A L H X S+ 0 0 57 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.803 114.1 45.2 -66.1 -33.3 91.4 74.0 46.5 237 268 A V H < S+ 0 0 55 -4,-0.7 3,-0.2 -5,-0.2 -2,-0.2 0.958 118.4 41.0 -74.5 -52.7 92.4 72.8 43.0 238 269 A M H X S+ 0 0 109 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.648 114.0 56.5 -69.0 -17.9 88.8 73.0 41.6 239 270 A G H X>S+ 0 0 43 -4,-1.4 4,-1.2 -5,-0.2 5,-0.5 0.854 107.1 45.3 -80.1 -40.1 88.3 76.3 43.4 240 271 A F H <5S+ 0 0 92 -4,-1.2 -1,-0.2 -3,-0.2 -27,-0.2 0.044 120.3 42.0 -94.0 23.5 91.3 78.1 41.9 241 272 A V H 45S+ 0 0 65 -3,-0.4 4,-0.3 3,-0.2 -2,-0.2 0.368 104.9 66.2-134.9 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-5,-0.2 -1,-0.2 0.519 111.3 57.0 -88.5 -14.1 -16.2 87.9 33.6 646 198 B G S S+ 0 0 4 -5,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.367 73.1 109.2 -95.2 -0.2 -15.4 91.2 31.8 647 199 B R S S+ 0 0 150 -4,-0.3 -1,-0.2 -3,-0.2 3,-0.1 0.521 71.9 60.1 -54.9 -12.2 -13.3 89.3 29.2 648 200 B K S S+ 0 0 167 -3,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.962 99.3 50.5 -80.4 -71.0 -16.0 89.9 26.5 649 201 B R S S+ 0 0 114 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.575 77.0 131.6 -76.9 101.3 -16.1 93.7 26.4 650 202 B Y + 0 0 123 -2,-0.9 2,-0.3 -3,-0.1 -3,-0.0 -0.942 26.7 179.7-153.8 127.4 -12.5 94.9 26.0 651 203 B I - 0 0 51 -2,-0.3 2,-0.4 -70,-0.1 -66,-0.1 -0.969 9.1-159.7-129.1 147.3 -10.9 97.4 23.6 652 204 B H + 0 0 76 -2,-0.3 -2,-0.0 -120,-0.1 -121,-0.0 -0.994 11.9 173.8-129.3 132.2 -7.2 98.6 23.3 653 205 B M 0 0 115 -2,-0.4 -2,-0.0 1,-0.1 -69,-0.0 -0.641 360.0 360.0-136.1 78.1 -6.0 101.8 21.6 654 206 B P 0 0 142 0, 0.0 -126,-0.1 0, 0.0 -1,-0.1 0.880 360.0 360.0 -81.8 360.0 -2.2 102.5 22.0 655 ! 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 0.0 656 227 B V > 0 0 150 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 129.3 30.5 129.9 15.4 657 228 B E T 4 + 0 0 172 2,-0.2 4,-0.1 1,-0.2 5,-0.0 0.618 360.0 55.9 -79.4 -15.1 31.2 132.2 18.4 658 229 B G T > S+ 0 0 42 2,-0.1 4,-1.1 3,-0.1 3,-0.4 0.886 113.5 36.2 -81.4 -45.2 27.4 133.2 18.6 659 230 B K H > S+ 0 0 145 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.698 113.8 58.7 -79.9 -26.0 26.0 129.6 18.9 660 231 B G H < S+ 0 0 39 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.1 0.407 110.3 41.7 -84.9 -2.8 28.9 128.4 21.0 661 232 B N H 4 S+ 0 0 113 -3,-0.4 4,-0.3 -4,-0.1 -2,-0.2 0.678 117.2 42.8-112.0 -35.0 28.3 131.0 23.8 662 233 B I H >X S+ 0 0 104 -4,-1.1 4,-0.6 1,-0.1 3,-0.6 0.850 114.4 53.4 -78.4 -38.7 24.4 131.0 24.0 663 234 B G H 3X S+ 0 0 30 -4,-1.2 4,-1.1 1,-0.2 -1,-0.1 0.676 100.1 58.9 -69.8 -26.3 24.3 127.1 23.8 664 235 B L H 3> S+ 0 0 104 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.693 95.5 65.1 -78.9 -19.7 26.8 126.5 26.7 665 236 B V H <> S+ 0 0 83 -3,-0.6 4,-0.5 -4,-0.3 -1,-0.2 0.875 105.3 42.8 -68.4 -42.5 24.5 128.4 29.2 666 237 B L H >< S+ 0 0 27 -4,-0.6 3,-0.8 1,-0.2 4,-0.4 0.901 109.3 55.6 -71.2 -46.0 21.6 125.8 28.9 667 238 B A H >< S+ 0 0 71 -4,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.761 100.9 59.4 -59.3 -33.6 23.8 122.5 29.0 668 239 B L H >X S+ 0 0 113 -4,-1.0 3,-1.5 1,-0.2 4,-1.0 0.758 93.3 63.6 -70.5 -27.3 25.5 123.5 32.4 669 240 B I H X S+ 0 0 66 -4,-1.0 4,-0.6 2,-0.2 3,-0.6 0.900 111.4 42.8 -69.5 -46.3 23.4 121.8 38.4 673 244 B S H 3X S+ 0 0 8 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.766 110.0 58.1 -71.2 -26.7 20.3 119.5 38.5 674 245 B A H 34 S+ 0 0 53 1,-0.2 4,-0.3 -4,-0.2 -1,-0.2 0.581 99.4 60.6 -77.8 -14.4 22.6 116.4 38.5 675 246 B A H X> S+ 0 0 50 -3,-0.6 4,-0.7 -4,-0.4 3,-0.5 0.781 94.1 61.3 -82.5 -32.7 24.3 117.7 41.7 676 247 B Y H 3< S+ 0 0 54 -4,-0.6 3,-0.4 -3,-0.3 4,-0.3 0.797 95.7 60.7 -64.6 -36.2 21.0 117.7 43.9 677 248 B A T >< S+ 0 0 34 -4,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.758 99.6 55.5 -63.9 -31.0 20.5 113.9 43.5 678 249 B L G X4 S+ 0 0 112 -3,-0.5 3,-1.6 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1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.872 111.0 51.0 -47.0 -46.9 12.7 110.6 51.2 689 260 B G H 3> S+ 0 0 6 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.803 111.2 47.3 -62.5 -36.3 16.1 110.4 49.4 690 261 B L H <> S+ 0 0 114 -3,-0.7 4,-1.0 -5,-0.2 -2,-0.2 0.953 115.9 43.2 -72.1 -48.4 14.6 108.8 46.3 691 262 B C H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.842 112.7 53.4 -65.7 -36.0 11.6 111.2 46.0 692 263 B C H X S+ 0 0 37 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.878 105.1 54.2 -65.9 -38.4 13.9 114.3 46.7 693 264 B A H X S+ 0 0 20 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.796 113.5 44.4 -63.3 -30.5 16.3 113.2 43.9 694 265 B M H X S+ 0 0 83 -4,-1.0 4,-2.5 -3,-0.2 -2,-0.2 0.928 114.4 45.6 -78.3 -52.0 13.2 113.2 41.6 695 266 B V H X S+ 0 0 37 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.883 113.5 49.8 -60.7 -45.4 11.6 116.5 42.8 696 267 B L H X S+ 0 0 54 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.800 113.9 45.2 -66.0 -33.4 14.9 118.4 42.7 697 268 B V H < S+ 0 0 54 -4,-0.7 3,-0.2 -5,-0.2 -2,-0.2 0.958 118.5 41.0 -74.5 -52.4 15.7 117.2 39.1 698 269 B M H X S+ 0 0 113 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.648 114.0 56.5 -69.2 -17.8 12.2 117.9 37.7 699 270 B G H X>S+ 0 0 39 -4,-1.4 4,-1.2 -5,-0.2 5,-0.5 0.852 107.0 45.5 -80.1 -40.0 12.1 121.2 39.6 700 271 B F H <5S+ 0 0 94 -4,-1.2 -1,-0.2 -3,-0.2 -27,-0.2 0.043 120.3 41.9 -94.0 23.6 15.3 122.6 38.1 701 272 B V H 45S+ 0 0 66 -3,-0.4 4,-0.3 3,-0.2 -2,-0.2 0.370 104.9 66.3-135.3 -26.9 14.1 121.5 34.6 702 273 B G H <5S+ 0 0 23 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.1 0.942 130.1 1.8 -64.3 -53.5 10.4 122.6 35.1 703 274 B A T ><5S+ 0 0 52 -4,-1.2 3,-0.6 2,-0.1 -3,-0.1 0.646 135.1 59.1-105.6 -28.0 11.2 126.3 35.3 704 275 B G G > S+ 0 0 18 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.171 89.1 93.6 -91.4 18.7 14.6 124.3 31.3 706 277 B S G <4 S+ 0 0 22 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.518 104.7 26.5 -82.0 -7.7 11.6 126.6 30.4 707 278 B L T <> S+ 0 0 82 -3,-0.7 4,-1.3 -4,-0.1 -2,-0.2 0.497 110.3 73.1-123.8 -23.0 14.4 128.7 28.7 708 279 B Q H > S+ 0 0 23 -4,-0.5 4,-0.7 1,-0.2 -2,-0.1 0.879 111.3 28.0 -63.2 -45.6 17.0 125.9 28.0 709 280 B L H < S+ 0 0 133 -4,-1.1 -1,-0.2 2,-0.2 -3,-0.1 0.659 114.1 66.2 -89.2 -20.4 15.0 124.4 25.1 710 281 B E H 4 S+ 0 0 68 1,-0.2 3,-0.4 -5,-0.2 -2,-0.2 0.769 106.3 43.6 -67.5 -30.9 13.3 127.8 24.3 711 282 B R H < S+ 0 0 92 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.774 116.6 44.6 -83.0 -38.5 16.9 129.0 23.3 712 283 B A S < S+ 0 0 54 -4,-0.7 2,-1.1 -5,-0.1 -1,-0.2 -0.214 72.4 147.7-105.9 41.5 18.0 125.9 21.3 713 284 B R + 0 0 68 -3,-0.4 2,-0.7 1,-0.0 3,-0.1 -0.650 21.0 178.4 -79.4 95.5 14.7 125.3 19.3 714 285 B K - 0 0 147 -2,-1.1 -2,-0.0 1,-0.2 -1,-0.0 -0.888 64.7 -33.2-110.1 106.3 16.0 123.8 16.0 715 286 B S S S+ 0 0 120 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.936 91.9 139.6 48.4 64.9 13.2 122.9 13.5 716 287 B H - 0 0 117 -3,-0.1 -1,-0.2 1,-0.1 5,-0.0 -0.984 58.6 -79.8-131.0 138.1 10.4 121.9 15.9 717 288 B P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.092 41.3-156.6 -45.0 148.0 6.6 122.8 15.5 718 289 B D S S+ 0 0 93 3,-0.1 2,-1.7 2,-0.1 0, 0.0 -0.726 70.8 24.0-118.9 167.2 5.1 126.2 16.5 719 290 B A 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H X S+ 0 0 68 -4,-0.7 4,-2.2 1,-0.2 3,-1.5 0.895 97.6 61.8 -72.0 -45.3 -91.3 162.2 49.1 1339 460 C A H 3X S+ 0 0 2 -4,-1.3 4,-0.7 1,-0.3 -2,-0.2 0.758 104.3 45.8 -53.2 -38.8 -89.6 163.4 45.8 1340 461 C N H 3< S+ 0 0 9 -4,-0.8 -1,-0.3 2,-0.1 -2,-0.1 -0.028 116.8 45.2-100.2 30.0 -90.4 160.2 43.7 1341 462 C V H X> S+ 0 0 72 -3,-1.5 4,-1.7 3,-0.1 3,-0.8 0.544 118.7 34.1-129.5 -56.7 -94.1 160.1 44.9 1342 463 C S H 3< S+ 0 0 51 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.782 127.1 42.7 -73.3 -31.6 -95.4 163.7 44.6 1343 464 C V T 3< S+ 0 0 21 -4,-0.7 -1,-0.2 -5,-0.5 -4,-0.1 -0.258 126.0 33.1-108.8 40.8 -93.1 164.4 41.5 1344 465 C K T <4 S+ 0 0 59 -3,-0.8 -2,-0.2 -382,-0.0 -3,-0.1 0.293 109.8 50.4-151.0 -63.8 -93.9 161.0 39.9 1345 466 C S S < S+ 0 0 102 -4,-1.7 2,-0.2 4,-0.0 -3,-0.1 0.824 91.3 77.8 -61.6 -44.6 -97.5 159.6 40.5 1346 467 C P > - 0 0 48 0, 0.0 4,-1.1 0, 0.0 5,-0.0 -0.551 59.8-156.4 -80.5 141.5 -99.7 162.6 39.6 1347 468 C T H > S+ 0 0 111 -2,-0.2 4,-1.6 2,-0.2 -2,-0.0 0.908 94.7 47.2 -74.0 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1,-0.1 5,-0.0 -0.578 85.7 -73.5-134.4-167.2 -86.8 171.7 33.0 1358 479 C S > - 0 0 33 -2,-0.2 4,-1.1 1,-0.1 -1,-0.1 -0.435 38.3-110.9 -93.1 169.5 -86.5 167.8 32.7 1359 480 C V H > S+ 0 0 27 2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.892 118.5 42.7 -64.4 -43.4 -87.8 165.1 35.1 1360 481 C T H >> S+ 0 0 68 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.897 114.1 48.6 -70.4 -47.9 -84.3 164.1 36.2 1361 482 C A H 34 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.642 98.1 69.6 -70.2 -19.4 -82.9 167.7 36.6 1362 483 C F H >X S+ 0 0 50 -4,-1.1 4,-3.1 1,-0.2 3,-0.8 0.849 102.5 44.8 -67.2 -35.1 -86.0 168.9 38.7 1363 484 C Q H S+ 0 0 113 -3,-0.8 4,-2.5 3,-0.1 -2,-0.2 0.536 114.2 54.2-130.5 -51.6 -82.9 171.5 41.6 1366 487 C F H X S+ 0 0 67 -4,-3.1 4,-1.4 1,-0.2 -3,-0.2 0.881 115.5 40.3 -56.2 -49.0 -85.5 170.7 44.3 1367 488 C F H X S+ 0 0 6 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.839 113.7 54.1 -70.9 -38.4 -82.9 169.0 46.6 1368 489 C A H 4 S+ 0 0 1 -5,-0.4 3,-0.4 1,-0.2 4,-0.4 0.903 111.7 45.3 -62.3 -43.6 -80.2 171.7 45.9 1369 490 C G H >X S+ 0 0 36 -4,-2.5 4,-1.5 1,-0.2 3,-0.8 0.790 103.2 63.8 -70.3 -34.2 -82.7 174.4 46.9 1370 491 C F H 3X S+ 0 0 94 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.765 95.1 58.9 -64.9 -28.3 -83.9 172.7 50.1 1371 492 C A H 3X S+ 0 0 0 -4,-0.9 4,-0.7 -3,-0.4 -1,-0.2 0.726 109.1 45.8 -71.7 -23.7 -80.4 172.8 51.7 1372 493 C I H <> S+ 0 0 79 -3,-0.8 4,-0.8 -4,-0.4 -2,-0.2 0.794 104.1 61.5 -86.0 -33.8 -80.5 176.7 51.3 1373 494 C L H X S+ 0 0 96 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.744 105.9 49.2 -62.6 -27.4 -84.2 176.8 52.7 1374 495 C A H X S+ 0 0 7 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.807 101.5 60.0 -81.4 -36.3 -82.8 175.3 56.0 1375 496 C A H X S+ 0 0 37 -4,-0.7 4,-0.5 1,-0.2 -2,-0.2 0.667 104.8 52.7 -66.0 -19.8 -79.9 177.9 56.3 1376 497 C I H >< S+ 0 0 128 -4,-0.8 3,-0.6 2,-0.2 -1,-0.2 0.894 108.7 46.2 -80.4 -47.8 -82.6 180.7 56.4 1377 498 C V H 3< S+ 0 0 89 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.800 101.8 70.1 -65.0 -31.2 -84.6 179.1 59.3 1378 499 C F H 3< 0 0 40 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 360.0 360.0 -52.4 -43.8 -81.3 178.5 61.2 1379 500 C A << 0 0 133 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 -0.383 360.0 360.0 56.3 360.0 -80.9 182.3 61.8