==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 30-JUN-03 1PW4 . COMPND 2 MOLECULE: GLYCEROL-3-PHOSPHATE TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.HUANG,M.J.LEMIEUX,J.SONG,M.AUER,D.N.WANG . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 82.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 1 0 1 1 0 1 0 1 1 0 0 2 0 2 1 0 0 1 0 0 0 1 1 1 1 0 2 RESIDUES PER ALPHA HELIX . 1 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 5 A F 0 0 239 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.1 7.6 36.6 -36.8 2 6 A K + 0 0 134 2,-0.0 2,-0.2 88,-0.0 84,-0.1 -0.928 360.0 95.9-154.0 142.2 10.2 35.5 -39.4 3 7 A P + 0 0 68 0, 0.0 83,-0.1 0, 0.0 80,-0.0 0.064 54.8 159.4 -33.1 139.1 10.4 33.7 -42.1 4 8 A A - 0 0 56 -2,-0.2 -2,-0.0 1,-0.1 82,-0.0 -0.852 25.5-177.3-158.1 119.2 10.0 36.5 -44.6 5 9 A P + 0 0 94 0, 0.0 201,-0.1 0, 0.0 204,-0.1 0.974 8.8 174.4 -83.5 -60.2 11.1 36.5 -48.3 6 10 A H + 0 0 150 1,-0.2 2,-0.1 0, 0.0 -2,-0.0 0.861 15.5 178.2 64.7 21.5 10.3 39.9 -49.5 7 11 A K + 0 0 163 2,-0.0 2,-0.3 205,-0.0 -1,-0.2 -0.509 6.9 170.1 -62.5 142.5 11.8 39.5 -53.0 8 12 A A - 0 0 68 201,-1.2 2,-0.6 -2,-0.1 204,-0.0 -0.921 28.9-125.5-154.6 124.3 11.6 42.4 -55.4 9 13 A R + 0 0 173 -2,-0.3 202,-0.1 1,-0.1 203,-0.1 -0.675 39.5 152.1 -88.2 120.1 13.4 42.7 -58.8 10 14 A L + 0 0 133 200,-0.8 -1,-0.1 -2,-0.6 202,-0.1 -0.113 14.0 157.1-124.1 29.4 15.6 45.8 -59.6 11 15 A P + 0 0 41 0, 0.0 -1,-0.1 0, 0.0 201,-0.1 0.767 17.0 169.9 -23.7 -70.2 18.0 44.0 -62.1 12 16 A A - 0 0 68 -3,-0.1 -2,-0.0 1,-0.1 199,-0.0 0.840 57.8 -57.0 62.5 41.2 18.9 47.3 -63.7 13 17 A A S S+ 0 0 97 1,-0.0 -1,-0.1 3,-0.0 0, 0.0 0.930 125.8 29.6 61.3 87.1 21.8 46.8 -66.1 14 18 A E + 0 0 147 3,-0.0 4,-0.5 2,-0.0 -1,-0.0 0.923 54.5 149.0 88.8 62.3 24.8 45.3 -64.3 15 19 A I > + 0 0 17 2,-0.2 4,-0.9 1,-0.1 3,-0.2 0.651 68.4 78.5 -88.0 -27.2 23.5 43.1 -61.4 16 20 A D H >> S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 3,-1.9 0.944 90.3 51.1 -47.0 -57.2 26.6 41.1 -62.1 17 21 A P H 3> S+ 0 0 40 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.867 110.3 46.5 -50.8 -44.7 28.7 43.7 -60.2 18 22 A T H 3> S+ 0 0 63 -4,-0.5 4,-1.5 -3,-0.2 -2,-0.2 0.553 109.6 59.5 -76.3 -5.0 26.5 43.7 -57.1 19 23 A Y H X S+ 0 0 18 -4,-3.6 3,-1.5 1,-0.2 4,-0.7 0.928 111.6 57.7 -57.3 -46.9 28.9 28.5 -38.6 35 39 A A H >< S+ 0 0 6 -4,-2.7 3,-1.4 -5,-0.3 4,-0.4 0.902 96.4 64.9 -51.1 -43.7 32.3 28.8 -37.1 36 40 A A H >X S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.3 4,-0.8 0.775 89.1 66.7 -53.0 -31.2 30.8 30.7 -34.1 37 41 A Y H XX S+ 0 0 1 -3,-1.5 3,-0.9 -4,-0.7 4,-0.7 0.883 91.5 63.0 -58.3 -40.7 28.8 27.7 -33.0 38 42 A Y H S+ 0 0 2 -3,-0.7 4,-1.6 -2,-0.2 -1,-0.2 0.756 80.4 58.1 -89.9 -42.9 33.0 25.1 -23.1 44 48 A F H > S+ 0 0 3 -3,-0.5 4,-2.1 -4,-0.3 3,-0.5 0.933 100.4 59.1 -63.9 -39.7 31.8 22.6 -20.6 45 49 A A H 4 S+ 0 0 0 -4,-0.5 3,-0.3 1,-0.3 -1,-0.2 0.942 106.3 47.5 -48.6 -52.2 34.8 20.5 -21.1 46 50 A L H > S+ 0 0 2 -4,-0.5 4,-0.9 1,-0.2 -1,-0.3 0.806 108.3 58.9 -60.3 -29.5 37.0 23.4 -20.0 47 51 A A H X S+ 0 0 2 -4,-1.6 4,-4.7 -3,-0.5 -1,-0.2 0.931 92.5 67.4 -64.5 -48.3 34.6 23.8 -17.1 48 52 A M H < S+ 0 0 7 -4,-2.1 -1,-0.2 -3,-0.3 9,-0.2 0.728 99.6 44.8 -50.7 -38.6 35.2 20.3 -15.6 49 53 A P H 4 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.979 124.1 36.6 -74.4 -42.7 38.8 20.6 -14.5 50 54 A Y H >< S+ 0 0 21 -4,-0.9 3,-0.7 132,-0.1 -2,-0.2 0.991 116.6 62.9 -58.3 -65.8 38.1 24.1 -13.0 51 55 A L T 3< S+ 0 0 2 -4,-4.7 133,-0.0 132,-0.3 63,-0.0 -0.228 103.8 31.9 -53.9 150.6 34.7 22.9 -11.9 52 56 A V T 3 + 0 0 16 1,-0.1 -1,-0.2 4,-0.0 -2,-0.1 0.736 58.3 124.2 67.3 30.3 35.0 20.0 -9.5 53 57 A E S < S+ 0 0 138 -3,-0.7 -2,-0.1 3,-0.0 -1,-0.1 0.912 84.3 75.3 -64.0 -44.1 38.2 20.7 -7.5 54 58 A Q S > S- 0 0 103 1,-0.2 3,-0.8 2,-0.0 0, 0.0 -0.202 120.8 -98.6 -52.6 140.6 35.1 20.2 -5.4 55 59 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.498 97.4 109.1 -45.6 -4.2 33.8 16.7 -5.1 56 60 A F T 3 + 0 0 38 2,-0.1 -1,-0.2 4,-0.0 4,-0.2 0.905 56.0 77.0 -37.9 -70.6 31.4 17.5 -7.9 57 61 A S < + 0 0 47 -3,-0.8 -5,-0.0 -9,-0.2 0, 0.0 -0.198 40.2 161.6 -52.8 127.9 33.0 15.5 -10.7 58 62 A R S S- 0 0 139 0, 0.0 -1,-0.2 0, 0.0 334,-0.1 0.692 77.5 -90.0-107.0 -43.6 32.4 11.7 -10.6 59 63 A G S S+ 0 0 16 333,-0.1 331,-0.4 332,-0.0 4,-0.3 -0.068 116.5 106.7 137.4 0.0 33.3 11.1 -14.3 60 64 A D >> + 0 0 4 1,-0.2 3,-2.6 329,-0.2 4,-1.5 0.829 54.0 74.0 -66.9 -43.0 29.6 11.9 -14.3 61 65 A L H 3> S+ 0 0 5 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.838 87.2 65.5 -45.7 -36.3 30.1 15.3 -15.8 62 66 A G H 3> S+ 0 0 2 -3,-0.3 4,-3.2 1,-0.3 324,-0.4 0.887 97.4 52.6 -55.0 -39.0 30.8 13.4 -18.9 63 67 A F H <> S+ 0 0 87 -3,-2.6 4,-0.6 -4,-0.3 -1,-0.3 0.937 109.7 50.4 -61.7 -43.3 27.2 12.3 -18.9 64 68 A A H >< S+ 0 0 0 -4,-1.5 3,-2.1 1,-0.2 4,-0.3 0.962 111.5 44.8 -58.6 -51.1 26.4 15.9 -18.6 65 69 A L H >X S+ 0 0 3 -4,-3.2 3,-1.4 1,-0.3 4,-0.5 0.914 99.1 74.8 -58.7 -39.2 28.6 16.9 -21.5 66 70 A S H 3X S+ 0 0 6 -4,-3.2 4,-1.5 -5,-0.3 3,-0.3 0.737 80.4 76.7 -42.2 -29.2 27.0 13.9 -23.2 67 71 A G H S+ 0 0 3 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.2 0.870 108.1 46.0 -42.9 -48.6 25.1 18.3 -26.5 69 73 A S H X S+ 0 0 4 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.909 108.7 52.8 -67.2 -43.2 25.5 15.3 -28.7 70 74 A I H X S+ 0 0 41 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.936 113.0 44.0 -58.8 -49.6 22.2 13.6 -28.0 71 75 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.3 -1,-0.2 0.892 111.3 52.0 -64.0 -43.8 20.2 16.8 -28.7 72 76 A Y H X S+ 0 0 47 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.3 0.898 112.2 53.7 -57.6 -35.9 22.2 17.5 -31.9 73 77 A G H X S+ 0 0 15 -4,-2.1 4,-0.6 1,-0.2 -2,-0.3 0.979 113.0 34.8 -61.8 -61.6 21.2 13.9 -32.5 74 78 A F H < S+ 0 0 125 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.707 112.4 76.1 -67.2 -17.5 17.3 14.1 -32.0 75 79 A S H >X S+ 0 0 2 -4,-2.3 3,-2.3 -5,-0.3 4,-1.8 0.959 85.6 47.8 -56.5 -68.2 17.8 17.6 -33.6 76 80 A K H 3X S+ 0 0 133 -4,-1.5 4,-0.9 1,-0.3 -1,-0.2 0.743 92.9 82.6 -54.2 -23.6 18.4 17.0 -37.3 77 81 A F H 3< S+ 0 0 173 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.819 115.9 5.1 -50.7 -32.1 15.4 14.7 -37.4 78 82 A I H X> S+ 0 0 89 -3,-2.3 3,-1.9 -4,-0.3 4,-0.9 0.720 115.4 71.0-124.5 -34.9 13.1 17.8 -37.6 79 83 A M H 3X S+ 0 0 22 -4,-1.8 4,-1.6 1,-0.3 5,-0.3 0.753 81.3 84.4 -58.6 -24.2 15.1 21.1 -38.0 80 84 A G H 3< S+ 0 0 43 -4,-0.9 -1,-0.3 -5,-0.3 4,-0.2 0.716 97.4 37.4 -51.9 -23.5 15.9 19.9 -41.5 81 85 A S H X> S+ 0 0 66 -3,-1.9 4,-1.6 2,-0.1 3,-0.5 0.842 106.3 64.8 -95.5 -44.0 12.6 21.3 -42.8 82 86 A V H >X S+ 0 0 47 -4,-0.9 4,-3.3 1,-0.3 3,-0.8 0.910 102.3 47.2 -46.8 -56.1 12.3 24.4 -40.7 83 87 A S H 3< S+ 0 0 5 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.854 105.9 62.2 -59.3 -30.0 15.4 26.2 -42.2 84 88 A D H <4 S+ 0 0 101 -3,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.905 114.3 33.4 -59.1 -40.8 13.9 25.2 -45.5 85 89 A R H << S+ 0 0 201 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.932 117.0 61.5 -77.0 -51.9 10.8 27.3 -44.7 86 90 A S S < S- 0 0 16 -4,-3.3 3,-0.0 -5,-0.2 0, 0.0 -0.116 94.4 -94.2 -72.3 170.6 12.7 30.1 -42.7 87 91 A N >> - 0 0 18 1,-0.1 4,-2.6 52,-0.0 3,-1.6 -0.808 16.7-142.8-102.0 123.2 15.3 32.4 -43.9 88 92 A P H 3> S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.747 97.8 65.5 -42.5 -37.9 19.1 31.6 -43.6 89 93 A R H 34 S+ 0 0 68 2,-0.1 115,-0.2 1,-0.1 114,-0.1 0.897 119.2 20.7 -58.0 -42.2 19.9 35.2 -42.9 90 94 A V H <> S+ 0 0 43 -3,-1.6 4,-3.5 2,-0.1 5,-0.2 0.892 117.4 62.3 -90.2 -49.6 17.9 35.3 -39.6 91 95 A F H X S+ 0 0 22 -4,-2.6 4,-0.7 1,-0.2 -2,-0.1 0.733 101.6 53.1 -51.3 -33.2 17.7 31.6 -38.7 92 96 A L H >X S+ 0 0 1 -4,-1.4 4,-2.0 -5,-0.3 3,-1.4 0.989 117.1 34.2 -71.4 -59.7 21.5 31.2 -38.4 93 97 A P H 3>>S+ 0 0 6 0, 0.0 4,-1.6 0, 0.0 5,-0.6 0.920 114.0 62.9 -60.3 -40.3 22.1 34.1 -35.9 94 98 A A H 3<5S+ 0 0 45 -4,-3.5 4,-0.3 1,-0.2 -2,-0.2 0.730 108.8 40.9 -53.6 -26.1 18.8 33.3 -34.4 95 99 A G H X5S+ 0 0 2 -4,-2.0 4,-3.3 2,-0.2 3,-1.3 0.989 115.5 39.9 -47.1 -80.4 23.5 30.8 -32.3 97 101 A I H 3X5S+ 0 0 54 -4,-1.6 4,-1.6 1,-0.3 5,-0.2 0.876 113.6 58.5 -43.9 -34.8 22.8 33.7 -30.1 98 102 A L H 3>X S+ 0 0 5 -4,-1.5 4,-1.9 1,-0.2 3,-1.5 0.961 102.4 55.9 -61.2 -45.6 25.7 29.1 -22.1 104 108 A L H 3X S+ 0 0 39 -4,-1.2 4,-1.2 1,-0.3 5,-0.3 0.829 96.6 65.6 -54.0 -32.0 25.8 32.5 -20.4 105 109 A F H 3X S+ 0 0 89 -4,-1.3 4,-1.5 1,-0.2 -1,-0.3 0.906 108.1 40.6 -55.7 -41.0 22.9 31.2 -18.2 106 110 A M H << S+ 0 0 2 -3,-1.5 7,-0.3 -4,-1.1 -2,-0.2 0.924 107.0 58.2 -75.0 -49.6 25.4 28.7 -16.8 107 111 A G H < S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 80,-0.2 0.676 120.1 27.7 -56.9 -19.4 28.5 30.9 -16.4 108 112 A F H < S+ 0 0 101 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.752 102.0 72.4-114.1 -31.5 26.7 33.3 -14.1 109 113 A V X - 0 0 62 -4,-1.5 4,-2.2 -5,-0.3 3,-0.2 -0.790 61.0-157.4 -98.3 103.0 23.9 31.7 -12.2 110 114 A P H >> S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 3,-0.5 0.891 91.5 48.7 -38.6 -69.3 25.2 29.4 -9.4 111 115 A W H 34 S+ 0 0 171 1,-0.3 7,-0.1 2,-0.2 -5,-0.0 0.900 114.6 49.6 -39.5 -52.7 22.1 27.2 -8.9 112 116 A A H 34 S+ 0 0 0 -3,-0.2 -1,-0.3 1,-0.2 3,-0.3 0.867 117.7 37.2 -57.2 -43.2 22.1 26.8 -12.7 113 117 A T H << S+ 0 0 5 -4,-2.2 2,-0.9 -3,-0.5 3,-0.3 0.916 115.4 47.2 -82.8 -43.9 25.8 25.9 -13.0 114 118 A S S < S+ 0 0 39 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.653 77.5 97.7-105.3 82.5 26.5 23.7 -10.0 115 119 A S S S- 0 0 56 -2,-0.9 -1,-0.2 -3,-0.3 -2,-0.1 0.526 85.3-106.5-134.2 -12.8 23.8 21.1 -9.6 116 120 A I S S- 0 0 79 -3,-0.3 -2,-0.1 1,-0.0 -3,-0.0 0.982 101.2 -4.7 71.4 73.0 24.9 17.7 -11.1 117 121 A A S > S+ 0 0 28 -56,-0.0 4,-0.9 3,-0.0 -3,-0.1 0.672 99.1 102.8 85.6 24.1 22.9 17.4 -14.3 118 122 A V H > S+ 0 0 23 2,-0.2 4,-2.2 -5,-0.1 5,-0.1 0.735 94.3 51.7 -82.5 -35.5 20.8 20.5 -13.9 119 123 A M H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.817 95.8 63.6 -61.7 -42.5 23.6 21.1 -16.4 120 124 A F H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.982 110.3 41.0 -45.2 -60.3 22.7 18.0 -18.3 121 125 A V H X S+ 0 0 80 -4,-0.9 4,-1.0 2,-0.2 -2,-0.2 0.869 117.7 44.2 -57.9 -46.6 19.4 19.7 -19.0 122 126 A L H >X S+ 0 0 23 -4,-2.2 4,-1.3 1,-0.2 3,-1.2 0.972 116.8 47.3 -63.1 -51.4 20.7 23.2 -19.7 123 127 A L H 3X S+ 0 0 2 -4,-3.4 4,-1.7 1,-0.3 -2,-0.2 0.880 103.0 65.2 -54.2 -42.1 23.5 21.8 -21.8 124 128 A F H 3X S+ 0 0 55 -4,-2.9 4,-1.9 -5,-0.4 -1,-0.3 0.822 98.6 52.0 -54.3 -35.2 20.9 19.7 -23.6 125 129 A L H X S+ 0 0 34 -4,-3.1 4,-1.2 1,-0.2 3,-0.6 0.885 105.6 61.7 -69.8 -37.5 20.1 25.0 -30.7 130 134 A Q H 3< S+ 0 0 1 -4,-2.9 4,-0.5 -5,-0.4 -1,-0.2 0.867 95.2 69.6 -56.4 -30.1 23.4 23.8 -32.1 131 135 A G H >< S+ 0 0 4 -4,-1.5 3,-0.8 1,-0.2 -1,-0.3 0.920 93.4 50.6 -53.4 -54.0 21.1 21.9 -34.4 132 136 A M H << S+ 0 0 21 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.926 90.2 82.7 -54.5 -48.5 19.8 24.8 -36.3 133 137 A G T 3X S+ 0 0 0 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.644 92.9 39.3 -26.3 -46.8 23.2 26.3 -37.1 134 138 A W H <> S+ 0 0 92 -3,-0.8 4,-0.8 -4,-0.5 -1,-0.2 0.917 100.7 61.6 -85.8 -42.4 24.1 24.2 -40.2 135 139 A P H > S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.793 102.8 49.6 -62.1 -26.1 21.1 23.6 -42.4 136 140 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.944 106.7 58.8 -72.5 -34.5 20.4 27.2 -43.3 137 141 A C H X S+ 0 0 2 -4,-0.6 4,-1.3 1,-0.2 -3,-0.1 0.778 108.7 48.2 -54.5 -22.8 24.1 27.3 -44.0 138 142 A G H X S+ 0 0 17 -4,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.937 105.8 51.7 -82.1 -50.8 22.9 24.6 -46.4 139 143 A R H X S+ 0 0 65 -4,-2.7 4,-0.7 1,-0.2 3,-0.5 0.857 110.2 54.5 -54.7 -36.3 20.0 26.3 -47.9 140 144 A T H >< S+ 0 0 4 -4,-3.0 3,-3.8 1,-0.2 -1,-0.2 0.990 100.9 54.4 -61.6 -60.8 22.3 29.2 -48.7 141 145 A M H >X S+ 0 0 12 -4,-1.3 3,-0.9 1,-0.3 4,-0.6 0.690 100.9 63.0 -49.8 -18.3 24.9 27.2 -50.5 142 146 A V H 3< S+ 0 0 82 -4,-1.0 -1,-0.3 -3,-0.5 4,-0.2 0.788 102.1 51.1 -76.1 -28.4 22.0 26.1 -52.7 143 147 A H T << S+ 0 0 62 -3,-3.8 -1,-0.2 -4,-0.7 -2,-0.2 0.143 93.1 76.8 -94.6 13.9 21.7 29.7 -53.7 144 148 A W T <4 S- 0 0 51 -3,-0.9 2,-0.2 -4,-0.2 -2,-0.1 0.873 111.1 -72.4 -78.6 -85.3 25.4 30.1 -54.6 145 149 A W >X - 0 0 71 -4,-0.6 3,-1.1 70,-0.0 4,-1.0 -0.603 45.0-102.8-176.9 118.5 25.4 28.4 -58.0 146 150 A S T 34 S+ 0 0 35 -4,-0.2 74,-0.1 1,-0.2 -4,-0.0 -0.033 102.3 21.7 -48.9 145.5 25.3 24.7 -59.1 147 151 A Q T 34 S+ 0 0 92 1,-0.1 -1,-0.2 73,-0.0 0, 0.0 0.568 118.2 67.2 70.5 16.1 28.4 22.8 -60.2 148 152 A K T X> S+ 0 0 69 -3,-1.1 3,-3.0 2,-0.1 4,-0.7 0.541 76.5 81.8-122.5 -38.9 30.4 25.3 -58.2 149 153 A E H 3X S+ 0 0 55 -4,-1.0 4,-2.5 1,-0.3 5,-0.4 0.752 73.9 74.6 -37.9 -40.3 29.1 24.2 -54.8 150 154 A R H 3> S+ 0 0 176 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.885 102.3 44.4 -46.7 -38.2 31.6 21.4 -54.6 151 155 A G H <> S+ 0 0 43 -3,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.922 106.8 53.1 -75.3 -47.2 34.1 24.1 -53.9 152 156 A G H X S+ 0 0 22 -4,-0.7 4,-1.2 1,-0.2 -2,-0.2 0.907 116.8 43.3 -55.5 -38.7 32.4 26.2 -51.4 153 157 A I H X S+ 0 0 43 -4,-2.5 4,-1.7 2,-0.2 5,-0.3 0.920 97.6 69.3 -73.5 -49.2 31.8 23.1 -49.4 154 158 A V H X S+ 0 0 93 -4,-2.1 4,-0.8 -5,-0.4 -1,-0.2 0.892 109.7 40.9 -32.5 -56.5 35.2 21.5 -49.7 155 159 A S H X S+ 0 0 45 -4,-1.5 4,-1.4 1,-0.2 5,-0.4 0.881 111.3 56.9 -60.8 -44.9 36.3 24.4 -47.5 156 160 A V H X S+ 0 0 7 -4,-1.2 4,-1.4 -5,-0.2 5,-0.2 0.902 102.2 47.9 -63.5 -46.2 33.3 24.4 -45.1 157 161 A W H X S+ 0 0 170 -4,-1.7 4,-1.2 1,-0.2 -1,-0.1 0.987 118.4 36.6 -58.1 -59.7 33.3 20.9 -43.6 158 162 A N H < S+ 0 0 39 -4,-0.8 4,-0.3 -5,-0.3 -1,-0.2 0.668 122.4 38.8 -69.6 -25.5 37.0 20.6 -42.7 159 163 A C H X S+ 0 0 33 -4,-1.4 4,-2.8 -5,-0.2 5,-0.3 0.818 103.8 67.0 -95.3 -35.7 37.8 24.1 -41.6 160 164 A A H X S+ 0 0 1 -4,-1.4 4,-0.9 -5,-0.4 5,-0.4 0.837 97.1 51.4 -56.7 -44.3 34.7 25.0 -39.7 161 165 A H H X S+ 0 0 26 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.944 120.6 35.5 -67.9 -25.1 35.0 22.6 -36.8 162 166 A N H > S+ 0 0 4 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.952 105.3 59.5 -87.0 -45.2 38.5 23.7 -36.2 163 167 A V H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.1 0.842 122.6 28.8 -55.2 -31.8 38.8 27.5 -36.8 164 168 A G H >< S+ 0 0 5 -4,-0.9 3,-1.0 -5,-0.3 -1,-0.2 0.837 115.2 56.0 -97.1 -38.8 36.2 28.0 -34.1 165 169 A G H 3< S+ 0 0 3 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.2 0.675 104.9 55.7 -70.1 -17.7 36.5 25.1 -31.7 166 170 A G T 3< S+ 0 0 0 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.505 95.5 65.8 -93.0 -7.7 40.1 25.9 -31.0 167 171 A I S X> S+ 0 0 58 -3,-1.0 4,-1.2 -5,-0.2 3,-0.8 0.840 81.6 73.0 -83.0 -34.4 39.7 29.5 -29.9 168 172 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.803 91.7 53.2 -52.8 -42.9 37.7 29.2 -26.6 169 173 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.863 107.4 58.0 -64.5 -27.6 40.3 27.8 -24.3 170 174 A L H <> S+ 0 0 43 -3,-0.8 4,-1.6 -4,-0.3 5,-0.1 0.897 108.4 42.9 -63.6 -42.9 42.3 30.8 -25.5 171 175 A L H X S+ 0 0 41 -4,-1.2 4,-4.6 2,-0.2 5,-0.3 0.946 114.2 49.1 -70.6 -48.1 39.6 33.3 -24.3 172 176 A F H X S+ 0 0 1 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.929 108.9 54.9 -53.3 -46.9 39.1 31.5 -21.0 173 177 A L H < S+ 0 0 35 -4,-2.6 4,-0.4 -5,-0.3 3,-0.3 0.895 117.1 37.0 -51.3 -43.4 42.9 31.6 -20.6 174 178 A L H >X S+ 0 0 78 -4,-1.6 3,-1.1 1,-0.2 4,-0.9 0.915 109.6 59.4 -76.8 -47.0 42.6 35.3 -21.1 175 179 A G H 3X S+ 0 0 0 -4,-4.6 4,-1.6 1,-0.2 -1,-0.2 0.486 88.9 80.7 -61.6 -2.9 39.4 36.0 -19.3 176 180 A M H 3< S+ 0 0 43 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.942 94.6 41.0 -68.5 -48.2 41.1 34.5 -16.2 177 181 A A H X4 S+ 0 0 85 -3,-1.1 3,-0.5 -4,-0.4 -2,-0.2 0.882 122.4 39.5 -66.2 -41.2 42.9 37.7 -15.3 178 182 A W H 3< S+ 0 0 167 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.786 126.8 33.8 -80.9 -31.8 40.0 40.1 -16.1 179 183 A F T 3< S- 0 0 98 -4,-1.6 -1,-0.2 -5,-0.2 2,-0.2 -0.250 79.6-167.6-120.5 45.0 37.3 37.9 -14.6 180 184 A N < + 0 0 134 -3,-0.5 -1,-0.1 2,-0.0 5,-0.1 0.375 52.2 106.3 -5.2 -46.2 39.2 36.3 -11.7 181 185 A D - 0 0 63 -2,-0.2 -2,-0.1 1,-0.1 -3,-0.0 -0.240 45.8-176.3 -53.4 130.0 36.6 33.5 -11.0 182 186 A W S > S+ 0 0 150 2,-0.1 3,-0.9 1,-0.1 -131,-0.2 0.892 70.4 65.2 -95.4 -49.4 37.9 30.2 -12.2 183 187 A H T 3 S+ 0 0 35 1,-0.3 -132,-0.3 -133,-0.2 -1,-0.1 0.801 120.8 23.2 -48.6 -32.2 35.1 27.6 -11.6 184 188 A A T 3 S+ 0 0 2 1,-0.1 -1,-0.3 -134,-0.1 3,-0.2 -0.387 72.1 113.1-141.9 71.8 33.1 29.6 -14.1 185 189 A A X + 0 0 0 -3,-0.9 3,-1.0 1,-0.1 -10,-0.1 0.019 50.7 108.2-112.2 14.3 34.7 31.9 -16.8 186 190 A L T 3> + 0 0 3 1,-0.2 4,-0.6 2,-0.1 -1,-0.1 0.502 68.4 72.0 -66.0 -7.9 33.4 29.4 -19.5 187 191 A Y H 3> S+ 0 0 12 -80,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.747 76.7 72.0 -78.9 -30.4 31.1 32.4 -20.2 188 192 A M H <> S+ 0 0 29 -3,-1.0 4,-1.5 2,-0.2 5,-0.2 0.879 95.2 52.2 -60.4 -40.0 33.6 34.8 -21.8 189 193 A P H >> S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.978 111.3 48.5 -61.1 -44.9 33.9 32.8 -25.0 190 194 A A H 3X S+ 0 0 0 -4,-0.6 4,-1.5 1,-0.2 -2,-0.2 0.836 100.6 66.8 -58.1 -34.3 30.1 32.8 -25.3 191 195 A F H 3X S+ 0 0 118 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.927 107.9 37.9 -54.8 -47.2 30.1 36.6 -24.6 192 196 A C H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 3,-1.4 0.990 112.0 41.0 -62.3 -56.5 26.7 36.9 -39.4 201 205 A F H 3< S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.856 109.6 60.5 -57.7 -41.0 23.2 38.4 -39.7 202 206 A A H 3< S+ 0 0 57 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.647 115.8 29.9 -64.3 -18.6 24.6 41.7 -41.0 203 207 A M H << S+ 0 0 59 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.666 98.3 85.6-117.8 -19.6 26.2 40.2 -44.1 204 208 A M < + 0 0 0 -4,-1.8 2,-0.3 -115,-0.2 3,-0.1 -0.286 46.8 163.8 -77.1 169.6 24.2 37.1 -45.2 205 209 A R - 0 0 63 1,-0.1 -2,-0.0 -183,-0.1 -3,-0.0 -0.946 47.9-112.9-170.1 175.6 21.2 37.2 -47.5 206 210 A D - 0 0 24 -2,-0.3 -1,-0.1 -201,-0.1 -2,-0.0 0.841 39.8-150.1 -89.4 -34.7 19.1 34.9 -49.6 207 211 A T S S+ 0 0 8 -3,-0.1 5,-0.3 7,-0.0 6,-0.2 0.562 77.2 88.0 75.9 14.6 20.2 36.6 -52.8 208 212 A P S > S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.796 82.6 64.5 -94.3 -45.3 17.1 35.9 -54.9 209 213 A Q T 4 S+ 0 0 23 1,-0.2 -201,-1.2 2,-0.2 -199,-0.0 0.411 107.7 29.3 -49.7 -23.5 15.6 39.2 -53.5 210 214 A S T 4 S+ 0 0 52 -203,-0.1 -200,-0.8 -201,-0.1 -1,-0.2 0.685 133.1 30.2-113.8 -34.6 17.9 41.9 -54.9 211 215 A C T 4 S- 0 0 1 -4,-0.2 -2,-0.2 -202,-0.1 -201,-0.1 0.913 81.2-156.0 -85.0 -54.6 19.0 40.3 -58.1 212 216 A G < + 0 0 26 -4,-2.1 -3,-0.1 -5,-0.3 -203,-0.1 0.412 53.3 127.3 88.3 -0.2 15.9 38.3 -58.7 213 217 A L - 0 0 28 -6,-0.2 -1,-0.2 -5,-0.1 3,-0.1 -0.807 58.7-143.4 -93.3 101.8 18.2 36.1 -60.8 214 218 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 3,-0.2 -0.388 62.1 -71.4 -54.6 145.5 17.8 32.4 -59.7 215 219 A P S S+ 0 0 43 0, 0.0 6,-0.4 0, 0.0 5,-0.2 -0.186 94.3 130.2 -51.4 104.7 21.4 31.5 -60.1 216 220 A I >> + 0 0 61 -2,-0.4 2,-1.9 -3,-0.1 4,-0.7 0.652 13.8 125.6-105.9 -79.6 21.5 31.4 -63.9 217 221 A E T 34 S+ 0 0 65 1,-0.3 -1,-0.0 -3,-0.2 -72,-0.0 0.309 97.7 21.1 32.9 -1.7 24.6 33.5 -64.8 218 222 A E T 34 S- 0 0 145 -2,-1.9 -1,-0.3 -3,-0.0 -2,-0.1 0.216 109.9-115.6-156.3 -8.5 25.8 30.6 -66.8 219 223 A Y T <4 + 0 0 161 -3,-0.6 -2,-0.1 0, 0.0 -3,-0.1 0.928 54.0 160.0 61.0 51.9 22.5 28.8 -67.3 220 224 A K < + 0 0 84 -4,-0.7 -4,-0.1 -5,-0.2 -3,-0.1 0.989 10.1 170.5 -61.1 -65.7 23.5 25.6 -65.3 221 225 A N 0 0 78 -6,-0.4 -5,-0.1 1,-0.2 -1,-0.0 0.789 360.0 360.0 55.6 46.1 19.9 24.4 -64.7 222 226 A D 0 0 180 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.711 360.0 360.0 34.0 360.0 20.2 20.9 -63.1 223 ! 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 0.0 224 240 A T 0 0 141 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.4 12.4 8.5 -54.3 225 241 A A > - 0 0 55 1,-0.0 3,-2.2 3,-0.0 4,-0.1 -0.491 360.0 -69.6-110.6 176.3 12.1 8.5 -50.4 226 242 A K T >> S+ 0 0 167 1,-0.3 3,-3.4 -2,-0.2 4,-0.6 0.723 105.8 95.3 -28.7 -40.9 13.9 7.5 -47.2 227 243 A Q H 3> + 0 0 93 1,-0.3 4,-3.3 2,-0.2 3,-0.5 0.766 68.4 73.1 -22.4 -52.1 13.3 3.9 -48.3 228 244 A I H <>>S+ 0 0 19 -3,-2.2 4,-3.0 1,-0.3 5,-1.2 0.813 93.3 51.8 -38.1 -45.7 16.8 4.0 -49.8 229 245 A F H <>>S+ 0 0 54 -3,-3.4 5,-3.3 3,-0.2 4,-0.7 0.963 115.7 40.5 -60.2 -51.4 18.4 3.9 -46.3 230 246 A M H <5S+ 0 0 107 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.922 123.1 41.1 -62.3 -43.9 16.4 0.8 -45.4 231 247 A Q H <5S+ 0 0 121 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.933 132.1 13.9 -72.3 -49.5 16.8 -0.8 -48.9 232 248 A Y H <5S+ 0 0 114 -4,-3.0 -3,-0.2 -5,-0.2 4,-0.2 0.781 132.7 36.1 -98.8 -35.3 20.5 -0.1 -49.8 233 249 A V T <> - 0 0 26 1,-0.2 4,-1.8 -4,-0.2 3,-0.9 0.816 43.7-163.8 32.9 55.1 25.3 -3.4 -46.2 237 253 A K H 3> S+ 0 0 167 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.739 86.3 57.9 -38.7 -25.6 27.4 -5.4 -43.7 238 254 A L H 3> S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.965 101.1 48.9 -72.2 -54.0 30.3 -3.5 -45.2 239 255 A L H <> S+ 0 0 0 -3,-0.9 4,-1.9 120,-0.3 -2,-0.2 0.892 107.6 61.5 -54.7 -34.8 29.1 0.0 -44.5 240 256 A W H X S+ 0 0 78 -4,-1.8 4,-3.5 -5,-0.3 5,-0.3 0.916 98.1 53.9 -57.5 -48.5 28.4 -1.2 -41.0 241 257 A Y H X S+ 0 0 100 -4,-1.3 4,-1.0 -3,-0.5 -1,-0.2 0.918 109.9 45.4 -57.1 -45.7 32.0 -2.0 -40.3 242 258 A I H X S+ 0 0 0 -4,-1.4 4,-3.7 2,-0.2 -1,-0.2 0.841 115.2 49.8 -65.9 -31.4 33.3 1.4 -41.2 243 259 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.961 111.5 45.4 -71.2 -50.1 30.5 3.0 -39.2 244 260 A I H X S+ 0 0 67 -4,-3.5 4,-0.6 1,-0.2 -1,-0.2 0.700 118.1 49.1 -64.7 -16.9 31.2 0.9 -36.1 245 261 A A H X S+ 0 0 1 -4,-1.0 4,-1.3 -5,-0.3 3,-0.5 0.893 100.5 59.5 -85.1 -48.7 34.8 1.8 -36.9 246 262 A N H >X S+ 0 0 2 -4,-3.7 4,-2.5 1,-0.2 3,-0.8 0.898 96.8 68.2 -49.0 -40.7 34.3 5.5 -37.3 247 263 A V H 3X S+ 0 0 19 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.907 100.6 42.3 -41.2 -65.0 33.0 5.4 -33.7 248 264 A F H 3X S+ 0 0 48 -4,-0.6 4,-1.8 -3,-0.5 -1,-0.3 0.743 110.5 58.4 -59.5 -23.8 36.3 4.6 -32.1 249 265 A V H S+ 0 0 4 -4,-1.8 4,-1.7 -5,-0.3 5,-0.5 0.849 105.9 50.0 -76.2 -32.9 36.3 8.5 -29.4 252 268 A L H X5S+ 0 0 0 -4,-1.8 4,-1.1 -3,-0.3 5,-0.2 0.904 115.0 45.6 -69.0 -39.5 40.0 8.8 -29.7 253 269 A R H X5S+ 0 0 9 -4,-1.9 4,-2.0 3,-0.1 -2,-0.2 0.984 124.3 28.8 -64.2 -59.5 39.6 12.4 -31.0 254 270 A Y H X5S+ 0 0 5 -4,-2.5 4,-3.6 2,-0.2 5,-0.4 0.906 118.7 53.3 -73.0 -44.0 37.0 13.7 -28.5 255 271 A G H X5S+ 0 0 1 -4,-1.7 4,-0.8 -5,-0.4 -1,-0.2 0.913 114.6 43.1 -59.2 -41.2 37.9 11.5 -25.5 256 272 A I H XS+ 0 0 20 -4,-0.8 4,-3.2 -5,-0.4 5,-0.6 0.715 86.7 100.9 -94.3 -22.2 39.8 15.7 -21.1 260 276 A S H X5S+ 0 0 4 -4,-1.1 4,-1.0 1,-0.3 -2,-0.1 0.762 90.4 36.2 -33.8 -47.2 43.0 17.4 -22.3 261 277 A P H 45S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.974 123.1 43.5 -77.0 -46.5 42.7 20.3 -19.9 262 278 A T H 45S+ 0 0 21 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.867 113.1 48.5 -60.3 -43.9 41.4 18.3 -17.0 263 279 A Y H >X5S+ 0 0 22 -4,-3.2 4,-1.6 3,-0.1 3,-1.6 0.873 102.1 72.2 -68.3 -38.9 43.7 15.2 -17.3 264 280 A L B 3< - 0 0 42 -3,-0.3 4,-1.8 1,-0.1 -1,-0.3 -0.978 27.0-128.0-169.9 153.9 50.1 24.5 -15.6 272 288 A L H > S+ 0 0 34 -2,-0.3 4,-2.2 2,-0.2 5,-0.3 0.847 106.0 68.9 -67.9 -37.0 46.8 25.9 -16.9 273 289 A D H > S+ 0 0 90 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.948 111.5 25.7 -46.0 -66.1 48.8 28.3 -19.0 274 290 A K H > S+ 0 0 101 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.831 113.9 69.8 -72.6 -32.3 50.3 25.7 -21.4 275 291 A S H >X S+ 0 0 10 -4,-1.8 4,-1.5 1,-0.2 3,-1.2 0.950 107.8 34.6 -45.8 -60.8 47.4 23.3 -20.9 276 292 A S H 3X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.728 110.2 64.3 -71.1 -23.4 44.9 25.5 -22.8 277 293 A W H 3X S+ 0 0 123 -4,-1.0 4,-0.9 -5,-0.3 -1,-0.3 0.583 105.1 48.4 -77.1 -7.0 47.5 26.7 -25.2 278 294 A A H < S+ 0 0 61 -4,-2.6 3,-1.1 -5,-0.2 -1,-0.2 0.796 103.2 64.2 -74.0 -32.3 43.9 24.3 -35.1 285 301 A A H 3X S+ 0 0 17 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.613 86.8 74.3 -71.1 -9.8 46.8 21.9 -36.2 286 302 A G H 3X S+ 0 0 4 -4,-0.5 4,-2.1 -3,-0.4 5,-0.5 0.853 82.5 69.8 -70.0 -33.4 44.2 19.7 -37.8 287 303 A I H <> S+ 0 0 50 -3,-1.1 4,-2.0 -4,-0.3 5,-0.2 0.930 102.9 38.2 -49.6 -57.7 43.8 22.1 -40.7 288 304 A P H > S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.906 120.5 47.1 -63.9 -42.4 47.2 21.6 -42.3 289 305 A G H >X S+ 0 0 0 -4,-1.2 4,-3.2 2,-0.2 3,-1.3 0.998 112.2 45.5 -60.5 -72.0 47.2 17.9 -41.7 290 306 A T H 3X S+ 0 0 7 -4,-2.1 4,-1.7 53,-0.4 -1,-0.2 0.870 112.3 54.0 -37.6 -53.8 43.7 17.0 -42.9 291 307 A L H 3X S+ 0 0 134 -4,-2.0 4,-1.4 -5,-0.5 -1,-0.3 0.925 115.4 40.5 -46.3 -46.6 44.4 19.2 -45.9 292 308 A L H S+ 0 0 51 -4,-3.4 4,-2.2 1,-0.2 5,-1.3 0.905 111.1 51.1 -59.1 -40.0 48.9 12.4 -49.7 297 313 A S H <5S+ 0 0 7 -4,-1.2 6,-1.4 -5,-0.4 7,-0.4 0.822 115.7 39.7 -65.9 -37.4 45.9 10.1 -50.1 298 314 A D H <5S+ 0 0 124 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.904 126.4 32.9 -78.2 -47.2 45.3 11.0 -53.7 299 315 A K H <5S+ 0 0 137 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.867 129.0 29.1 -78.9 -42.0 48.9 11.2 -54.9 300 316 A V T <5S+ 0 0 78 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.880 126.8 38.5 -90.4 -42.2 50.7 8.5 -52.8 301 317 A F S > - 0 0 51 -3,-1.4 4,-0.6 -7,-0.4 -1,-0.2 -0.785 26.2-179.0 -91.2 105.7 42.7 4.0 -51.9 305 321 A R H >> S+ 0 0 68 -2,-1.0 4,-1.6 2,-0.2 3,-0.7 0.889 74.6 54.5 -73.7 -42.5 40.8 5.6 -49.0 306 322 A G H 3> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.956 109.2 51.2 -54.8 -49.5 40.7 2.7 -46.5 307 323 A A H 3> S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.668 104.3 55.3 -59.9 -24.0 44.5 2.4 -46.7 308 324 A T H - 0 0 84 0, 0.0 3,-1.1 0, 0.0 2,-0.3 -0.141 65.4 -58.8 -95.7-169.2 55.5 11.0 -16.0 328 344 A A T 3 S+ 0 0 82 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.178 126.0 80.8 -68.3 22.8 55.7 14.6 -14.9 329 345 A G T 3 + 0 0 46 -2,-0.3 3,-0.4 1,-0.1 -1,-0.3 0.033 58.9 107.1-112.8 22.1 58.3 15.0 -17.6 330 346 A N X> + 0 0 7 -3,-1.1 4,-2.7 1,-0.2 3,-1.3 0.394 43.1 102.6 -80.5 0.1 55.5 15.3 -20.2 331 347 A P H 3> S+ 0 0 42 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.946 91.6 28.1 -51.9 -55.1 56.1 19.1 -20.8 332 348 A T H 34 S+ 0 0 129 -3,-0.4 -2,-0.1 1,-0.2 4,-0.1 0.201 122.1 56.2 -95.5 19.8 58.0 18.9 -24.1 333 349 A V H <> S+ 0 0 36 -3,-1.3 4,-3.2 3,-0.1 -1,-0.2 0.746 103.9 47.2-110.9 -47.9 56.3 15.7 -25.1 334 350 A D H X S+ 0 0 9 -4,-2.7 4,-4.2 2,-0.2 5,-0.4 0.839 104.1 60.7 -65.1 -36.8 52.6 16.6 -24.9 335 351 A M H X S+ 0 0 53 -4,-0.9 4,-2.3 -5,-0.4 -1,-0.2 0.972 117.8 32.1 -53.8 -52.8 53.0 19.9 -26.8 336 352 A I H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.916 117.6 59.3 -68.5 -42.4 54.2 17.8 -29.7 337 353 A C H X S+ 0 0 3 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.881 112.3 37.8 -48.3 -51.1 51.9 15.0 -28.6 338 354 A M H X S+ 0 0 10 -4,-4.2 4,-2.1 2,-0.2 5,-0.4 0.910 112.5 56.3 -71.0 -47.7 48.8 17.1 -28.9 339 355 A I H X S+ 0 0 56 -4,-2.3 4,-1.2 -5,-0.4 -2,-0.2 0.849 118.0 37.8 -53.2 -35.9 50.0 18.9 -32.1 340 356 A V H X S+ 0 0 46 -4,-2.4 4,-1.5 2,-0.2 5,-0.3 0.945 110.1 54.3 -83.3 -56.8 50.3 15.5 -33.6 341 357 A I H >X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 3,-0.8 0.932 117.4 40.5 -41.4 -58.1 47.4 13.5 -32.2 342 358 A G H 3X S+ 0 0 6 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.926 102.9 68.9 -57.2 -51.6 45.1 16.3 -33.6 343 359 A F H 3< S+ 0 0 67 -4,-1.2 -53,-0.4 -5,-0.4 -1,-0.2 0.770 116.3 24.3 -35.4 -43.4 47.0 16.7 -36.8 344 360 A L H X< S+ 0 0 10 -4,-1.5 3,-1.7 -3,-0.8 -1,-0.2 0.753 95.0 89.2-101.4 -27.8 45.8 13.3 -37.9 345 361 A I H 3< S+ 0 0 4 -4,-2.0 4,-0.5 1,-0.3 -92,-0.1 0.648 91.1 52.0 -47.2 -25.3 42.5 12.4 -36.1 346 362 A Y T >X S+ 0 0 28 -4,-0.7 4,-2.2 1,-0.2 3,-0.7 0.806 87.7 83.9 -82.7 -31.8 40.5 14.0 -38.7 347 363 A G H <> S+ 0 0 1 -3,-1.7 4,-2.1 1,-0.3 -2,-0.2 0.852 98.7 36.3 -35.1 -59.5 42.2 12.0 -41.5 348 364 A P H 3> S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.792 108.7 64.9 -70.7 -27.3 39.9 8.9 -41.0 349 365 A V H <> S+ 0 0 12 -3,-0.7 4,-1.2 -4,-0.5 -2,-0.2 0.952 112.9 34.8 -55.8 -50.6 36.8 11.0 -40.2 350 366 A M H X S+ 0 0 43 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.892 117.1 54.1 -70.1 -44.7 36.9 12.4 -43.8 351 367 A L H X S+ 0 0 3 -4,-2.1 4,-3.4 -5,-0.4 -2,-0.2 0.895 105.5 50.3 -59.5 -47.1 38.2 9.2 -45.4 352 368 A I H X S+ 0 0 4 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.988 110.5 50.2 -55.9 -59.0 35.6 6.9 -44.2 353 369 A G H X S+ 0 0 17 -4,-1.2 4,-1.2 -5,-0.3 -2,-0.2 0.916 115.4 43.6 -43.1 -55.3 32.8 9.2 -45.3 354 370 A L H X S+ 0 0 52 -4,-2.4 4,-0.7 1,-0.2 3,-0.5 0.897 111.8 54.7 -57.3 -42.2 34.4 9.4 -48.7 355 371 A H H >X S+ 0 0 2 -4,-3.4 3,-1.3 1,-0.2 4,-1.0 0.925 99.9 60.8 -57.3 -44.9 35.0 5.6 -48.5 356 372 A A H 3< S+ 0 0 0 -4,-3.2 3,-0.4 1,-0.3 -1,-0.2 0.807 90.2 69.4 -51.6 -41.2 31.2 5.1 -47.9 357 373 A L H >< S+ 0 0 73 -4,-1.2 3,-0.6 -3,-0.5 -1,-0.3 0.867 104.2 42.7 -45.9 -45.3 30.3 6.7 -51.3 358 374 A E H << S+ 0 0 98 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.773 98.8 75.2 -74.0 -30.1 31.9 3.7 -53.0 359 375 A L T 3< S+ 0 0 4 -4,-1.0 -120,-0.3 -3,-0.4 -1,-0.2 0.198 102.7 26.4 -70.7 12.4 30.4 1.0 -50.7 360 376 A A S < S- 0 0 13 -3,-0.6 5,-0.1 -4,-0.1 -127,-0.1 -0.959 92.5 -69.6-161.7 173.9 26.9 1.3 -52.2 361 377 A P > - 0 0 58 0, 0.0 4,-1.6 0, 0.0 3,-0.3 -0.159 64.4 -70.4 -71.8 171.5 24.9 2.1 -55.3 362 378 A K T 4 S+ 0 0 207 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.698 127.5 21.9 -26.0 -67.5 24.3 5.5 -57.0 363 379 A K T >> S+ 0 0 126 1,-0.2 3,-0.9 2,-0.1 4,-0.8 0.806 110.2 74.4 -83.0 -26.3 22.0 7.3 -54.7 364 380 A A H 3> S+ 0 0 3 -3,-0.3 4,-3.7 1,-0.2 5,-0.3 0.868 80.9 75.3 -50.1 -40.2 22.9 5.3 -51.6 365 381 A A H 3X S+ 0 0 15 -4,-1.6 4,-4.0 -8,-0.2 5,-0.3 0.876 94.2 50.0 -37.3 -57.4 26.2 7.2 -51.5 366 382 A G H <> S+ 0 0 51 -3,-0.9 4,-1.4 -4,-0.4 -1,-0.2 0.959 123.0 28.0 -49.6 -66.2 24.5 10.3 -50.1 367 383 A T H X S+ 0 0 69 -4,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.672 121.2 58.2 -74.2 -14.6 22.6 8.6 -47.3 368 384 A A H X S+ 0 0 0 -4,-3.7 4,-1.2 -5,-0.3 -2,-0.2 0.901 109.8 41.4 -77.4 -44.7 25.3 5.9 -47.1 369 385 A A H X S+ 0 0 24 -4,-4.0 4,-1.2 -5,-0.3 -2,-0.2 0.720 116.7 50.6 -75.6 -24.1 28.1 8.5 -46.4 370 386 A G H X S+ 0 0 40 -4,-1.4 4,-1.9 -5,-0.3 5,-0.2 0.891 102.2 58.3 -80.3 -42.3 25.8 10.4 -44.1 371 387 A F H X S+ 0 0 28 -4,-1.7 4,-3.0 1,-0.2 5,-0.4 0.904 105.3 53.8 -52.2 -43.6 24.8 7.4 -42.0 372 388 A T H X S+ 0 0 1 -4,-1.2 4,-3.2 1,-0.2 -1,-0.2 0.955 104.2 53.2 -57.1 -54.3 28.5 6.9 -41.3 373 389 A G H X S+ 0 0 28 -4,-1.2 4,-3.5 1,-0.2 5,-0.2 0.884 116.1 38.8 -50.4 -45.2 29.0 10.4 -40.0 374 390 A L H X S+ 0 0 74 -4,-1.9 4,-2.3 2,-0.2 5,-0.4 0.907 114.6 49.0 -77.6 -42.5 26.2 10.2 -37.5 375 391 A F H X>S+ 0 0 88 -4,-3.0 4,-1.2 -5,-0.2 5,-0.5 0.961 120.0 45.4 -59.0 -41.3 26.6 6.6 -36.3 376 392 A G H X5S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.4 -2,-0.2 0.978 120.0 34.0 -60.8 -64.1 30.2 7.8 -36.0 377 393 A Y H X5S+ 0 0 26 -4,-3.5 4,-1.6 -5,-0.2 5,-0.2 0.909 115.2 57.1 -60.9 -48.7 29.8 11.2 -34.2 378 394 A L H >X5S+ 0 0 67 -4,-2.3 4,-1.5 -5,-0.2 3,-0.8 0.959 121.3 23.7 -47.1 -72.4 26.7 10.2 -32.2 379 395 A G H 3X>S+ 0 0 24 -4,-1.2 4,-2.1 -5,-0.4 5,-0.5 0.944 112.4 68.7 -62.6 -53.2 28.2 7.3 -30.3 380 396 A G H 3XS+ 0 0 48 -4,-1.5 4,-1.9 1,-0.2 5,-1.1 0.887 121.0 34.3 -43.3 -44.0 28.8 9.5 -25.7 383 399 A A H <>S+ 0 0 16 -4,-2.1 5,-1.9 3,-0.2 -1,-0.2 0.902 113.6 58.6 -78.2 -44.1 31.7 7.1 -25.1 384 400 A A H <4X S+ 0 0 2 -4,-1.3 3,-1.2 1,-0.3 4,-0.6 0.923 113.9 43.5 -45.3 -51.6 34.7 9.3 -17.2 390 406 A Y H 3X S+ 0 0 95 -4,-1.8 4,-0.9 -331,-0.4 -1,-0.3 0.662 103.7 64.5 -69.7 -18.4 33.0 6.2 -15.6 391 407 A T H << S+ 0 0 31 -4,-1.8 -1,-0.3 -3,-1.2 -2,-0.2 0.216 103.4 51.9 -89.9 15.5 35.9 3.9 -16.7 392 408 A V H <4 S+ 0 0 30 -3,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.554 99.3 60.9-119.3 -23.7 38.0 6.0 -14.4 393 409 A D H < S+ 0 0 82 -4,-0.6 -2,-0.1 1,-0.2 -3,-0.1 0.968 118.3 23.8 -70.8 -54.7 35.8 5.8 -11.2 394 410 A F S < S+ 0 0 200 -4,-0.9 2,-0.2 2,-0.1 -1,-0.2 0.624 135.1 39.8 -86.2 -15.4 35.8 2.1 -10.5 395 411 A F S S- 0 0 149 1,-0.3 -3,-0.1 -5,-0.2 2,-0.0 -0.507 99.0 -95.0-116.5-176.5 39.0 1.7 -12.5 396 412 A G - 0 0 41 -2,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.094 39.9 -97.7 -88.2-163.7 42.0 4.0 -12.5 397 413 A W S >> S+ 0 0 45 1,-0.2 3,-1.9 2,-0.1 4,-0.7 0.734 119.4 70.0 -86.8 -24.2 42.7 6.7 -15.0 398 414 A D H >> S+ 0 0 97 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.917 88.0 62.4 -56.0 -45.3 44.9 4.3 -16.9 399 415 A G H 3> S+ 0 0 9 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.577 90.9 72.8 -59.1 -6.8 41.9 2.3 -17.9 400 416 A G H X> S+ 0 0 1 -3,-1.9 4,-1.7 2,-0.2 3,-0.7 0.980 101.1 38.1 -71.0 -57.2 40.9 5.5 -19.7 401 417 A F H S+ 0 0 17 -3,-0.7 4,-3.9 -4,-0.7 5,-0.8 0.781 105.2 70.0 -64.0 -28.3 43.5 5.0 -22.4 402 418 A M H 3X5S+ 0 0 107 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.927 106.4 39.0 -55.7 -43.3 42.9 1.3 -22.4 403 419 A V H X S+ 0 0 74 -4,-2.0 4,-2.3 -3,-0.2 3,-1.5 0.968 104.2 52.2 -73.3 -54.5 41.0 -3.8 -42.8 417 433 A V H 3X S+ 0 0 55 -4,-2.2 4,-3.4 1,-0.3 5,-0.3 0.907 106.1 53.6 -49.2 -48.9 38.1 -6.0 -42.9 418 434 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.807 109.1 52.8 -59.1 -24.8 36.1 -3.5 -45.0 419 435 A M H X S+ 0 0 86 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.984 117.1 50.7 -62.4 -52.5 39.1 -7.3 -47.7 421 437 A G H 3X S+ 0 0 21 -4,-3.4 4,-2.3 1,-0.3 -1,-0.2 0.865 106.2 52.6 -52.3 -48.6 35.3 -7.5 -47.9 422 438 A E H 3X S+ 0 0 42 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.3 0.881 114.8 44.4 -58.0 -37.0 34.9 -4.8 -50.5 423 439 A K H < S+ 0 0 141 -4,-1.0 3,-1.3 1,-0.2 4,-0.3 0.899 100.5 57.9 -60.3 -42.9 34.3 -7.6 -56.5 427 443 A E H >< S+ 0 0 134 -4,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.792 96.6 65.5 -59.3 -30.7 35.5 -11.1 -57.3 428 444 A Q G >< S+ 0 0 106 -4,-1.0 3,-2.5 -3,-0.5 4,-0.4 0.693 74.5 80.6 -68.9 -21.8 31.9 -12.5 -57.2 429 445 A L G X S+ 0 0 113 -3,-1.3 3,-1.2 -4,-0.5 4,-0.3 0.763 82.3 74.4 -56.7 -17.2 30.5 -10.5 -60.2 430 446 A L G X S+ 0 0 130 -3,-1.1 3,-1.2 -4,-0.3 4,-0.5 0.853 87.2 57.1 -60.4 -36.5 32.3 -13.4 -61.9 431 447 A Q G < S+ 0 0 107 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.574 85.4 82.6 -74.5 -10.3 29.4 -15.7 -60.8 432 448 A E G < S+ 0 0 139 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.775 92.3 47.8 -62.0 -33.0 26.9 -13.4 -62.6 433 449 A L S < S+ 0 0 151 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.774 92.1 97.3 -76.1 -31.2 27.7 -15.1 -65.9 434 450 A V 0 0 102 -4,-0.5 -2,-0.1 1,-0.2 -1,-0.1 0.725 360.0 360.0 -32.6 -69.7 27.4 -18.7 -64.3 435 451 A P 0 0 162 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.890 360.0 360.0 -40.9 360.0 24.0 -20.3 -64.9