==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-MAR-09 3GIA . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MJ0609; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR P.L.SHAFFER,A.S.GOEHRING,A.SHANKARANARAYANAN,E.GOUAUX,NEW . 433 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 82.2 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 . 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 . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 2 0 1 1 1 0 0 1 0 0 2 0 0 0 0 1 0 1 0 3 0 0 1 1 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 3 A L 0 0 176 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.7 59.3 26.1 3.3 2 4 A K - 0 0 172 307,-0.0 2,-0.1 3,-0.0 307,-0.1 -0.995 360.0-108.4-150.0 151.5 55.6 26.0 4.2 3 5 A N - 0 0 21 -2,-0.3 2,-0.6 207,-0.2 308,-0.1 -0.426 43.3-100.6 -69.9 150.0 52.2 24.8 3.0 4 6 A K - 0 0 134 306,-0.3 2,-0.3 -2,-0.1 308,-0.1 -0.687 51.5-150.2 -69.0 115.2 49.5 27.2 1.8 5 7 A K - 0 0 105 -2,-0.6 2,-0.4 207,-0.1 207,-0.3 -0.650 8.2-135.6-100.5 148.6 47.4 27.4 4.9 6 8 A L B -a 212 0A 28 205,-2.9 207,-2.7 -2,-0.3 2,-0.0 -0.824 18.1-133.0 -97.1 139.0 43.6 28.0 5.3 7 9 A S > - 0 0 35 -2,-0.4 4,-2.0 205,-0.2 5,-0.2 -0.251 36.6 -93.9 -73.9 174.1 42.2 30.3 8.0 8 10 A L H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.911 125.7 47.2 -53.6 -47.2 39.3 29.2 10.2 9 11 A W H > S+ 0 0 146 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.848 109.3 52.6 -73.3 -35.2 36.7 30.8 7.9 10 12 A E H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 111.7 47.6 -60.8 -40.9 38.2 29.3 4.8 11 13 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.907 112.9 48.5 -67.7 -42.4 38.0 25.9 6.5 12 14 A V H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.952 111.6 49.8 -57.5 -51.8 34.4 26.6 7.5 13 15 A S H X S+ 0 0 14 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.867 108.1 54.0 -56.2 -43.9 33.5 27.7 4.0 14 16 A M H X S+ 0 0 15 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.898 113.5 40.8 -57.5 -47.4 35.1 24.5 2.5 15 17 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.904 115.5 50.8 -71.6 -41.0 33.0 22.2 4.7 16 18 A V H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.923 109.6 51.9 -61.9 -44.2 29.8 24.3 4.3 17 19 A G H X S+ 0 0 2 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.917 112.4 43.7 -58.7 -48.4 30.3 24.3 0.5 18 20 A V H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.914 114.7 50.1 -63.4 -43.7 30.6 20.5 0.3 19 21 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.926 112.5 45.4 -65.1 -46.4 27.8 19.9 2.8 20 22 A I H X>S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 5,-1.4 0.897 108.5 57.1 -62.5 -44.5 25.3 22.2 0.9 21 23 A G H <5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.878 115.7 37.9 -52.5 -41.2 26.3 20.7 -2.5 22 24 A A H X>S+ 0 0 0 -4,-1.7 5,-2.4 3,-0.2 4,-0.7 0.931 126.4 32.3 -75.4 -49.9 25.3 17.3 -1.2 23 25 A S H <5S+ 0 0 0 -4,-2.8 5,-0.3 175,-0.2 -3,-0.2 0.910 125.9 33.0 -82.5 -46.9 22.2 18.1 0.9 24 26 A I T <5S+ 0 0 0 -4,-1.9 234,-0.2 -5,-0.3 -3,-0.2 0.931 132.8 24.8 -77.6 -45.1 20.5 21.0 -0.7 25 27 A F T 4 S+ 0 0 2 -5,-0.3 4,-1.9 -6,-0.2 -1,-0.2 0.852 82.5 54.0 -53.4 -39.3 17.0 17.1 -1.1 29 31 A G H > S+ 0 0 2 225,-0.5 4,-2.3 -3,-0.3 -1,-0.2 0.913 103.6 54.1 -63.4 -47.2 14.5 15.3 -3.4 30 32 A V H > S+ 0 0 8 1,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.855 108.6 51.8 -51.3 -39.9 15.1 11.9 -1.8 31 33 A G H X>S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.8 0.889 106.3 51.5 -68.6 -42.6 14.2 13.5 1.5 32 34 A A H X5S+ 0 0 0 -4,-1.9 4,-0.9 3,-0.2 -2,-0.2 0.900 112.6 49.1 -57.4 -41.5 11.0 15.0 0.2 33 35 A K H <5S+ 0 0 112 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.954 122.6 28.9 -61.7 -54.1 10.1 11.5 -1.0 34 36 A I H <5S+ 0 0 25 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.918 135.3 25.1 -78.6 -46.6 10.9 9.6 2.3 35 37 A A H ><5S- 0 0 7 -4,-2.7 3,-2.4 -5,-0.2 -3,-0.2 0.598 80.6-179.5 -97.7 -15.9 10.2 12.3 5.0 36 38 A G G >< + 0 0 6 -3,-2.4 4,-1.6 1,-0.2 3,-0.7 0.380 68.3 105.2 -87.0 4.0 8.8 16.1 8.2 39 41 A L H <> S+ 0 0 0 -3,-1.3 4,-2.2 1,-0.2 5,-0.2 0.849 72.6 57.6 -53.8 -43.5 12.0 16.8 6.3 40 42 A P H 3> S+ 0 0 5 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.904 109.1 46.6 -54.8 -38.9 12.9 19.9 8.4 41 43 A E H <> S+ 0 0 51 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.802 107.0 58.9 -73.1 -30.6 12.9 17.6 11.5 42 44 A T H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.929 104.6 49.6 -59.8 -49.6 15.0 15.0 9.5 43 45 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.870 111.7 48.8 -56.8 -41.8 17.8 17.6 9.0 44 46 A I H X S+ 0 0 74 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.938 112.4 47.9 -63.3 -48.2 17.7 18.4 12.8 45 47 A L H X S+ 0 0 45 -4,-2.4 4,-1.7 1,-0.2 3,-0.5 0.909 112.1 48.7 -61.2 -45.9 17.8 14.7 13.7 46 48 A S H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.839 108.6 56.1 -59.6 -35.6 20.7 14.1 11.3 47 49 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.769 102.1 55.3 -67.5 -28.6 22.4 17.1 12.8 48 50 A I H X S+ 0 0 80 -4,-1.3 4,-2.1 -3,-0.5 -2,-0.2 0.932 108.3 47.9 -69.7 -46.1 22.2 15.5 16.3 49 51 A Y H X S+ 0 0 19 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.889 111.4 52.1 -54.7 -42.7 24.0 12.5 14.9 50 52 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.881 108.9 48.7 -65.3 -41.3 26.6 14.8 13.4 51 53 A L H X S+ 0 0 48 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.835 108.2 54.1 -67.8 -35.4 27.1 16.6 16.7 52 54 A L H X S+ 0 0 27 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.920 113.0 43.1 -62.2 -44.8 27.5 13.3 18.5 53 55 A V H >X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.9 0.908 109.0 59.3 -64.4 -42.4 30.3 12.4 16.0 54 56 A A H 3X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.3 5,-0.3 0.803 93.3 66.3 -57.9 -33.2 31.7 15.9 16.3 55 57 A Y H 3X S+ 0 0 51 -4,-1.6 4,-1.1 1,-0.2 -1,-0.3 0.906 108.9 38.5 -53.5 -44.1 32.2 15.4 20.0 56 58 A S H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 3,-1.3 0.916 113.7 52.0 -68.3 -44.4 40.8 13.9 18.8 61 63 A G H 3< S+ 0 0 3 -4,-2.8 -1,-0.2 -5,-0.3 158,-0.2 0.600 100.2 62.4 -71.7 -15.0 41.6 16.8 16.4 62 64 A A T 3< S+ 0 0 36 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.589 119.4 27.1 -80.6 -13.0 42.6 19.1 19.3 63 65 A K T <4 S+ 0 0 112 -3,-1.3 2,-0.5 -4,-0.3 -2,-0.2 0.726 120.0 52.2-113.9 -37.2 45.4 16.7 20.2 64 66 A I < - 0 0 6 -4,-3.0 2,-0.5 -5,-0.1 -1,-0.2 -0.912 60.4-171.1-114.0 124.7 46.3 14.9 16.9 65 67 A V + 0 0 10 -2,-0.5 368,-0.3 365,-0.4 2,-0.3 -0.968 25.6 131.8-120.0 124.8 47.1 16.8 13.7 66 68 A S > - 0 0 6 -2,-0.5 3,-1.9 140,-0.3 143,-0.4 -0.878 57.7-133.5-172.4 134.2 47.5 14.9 10.4 67 69 A N T 3 S+ 0 0 2 -2,-0.3 233,-0.1 1,-0.3 363,-0.1 0.544 104.9 76.1 -64.6 -9.3 46.3 15.1 6.8 68 70 A A T > S- 0 0 0 361,-0.3 3,-1.7 1,-0.2 -1,-0.3 0.619 84.2-174.0 -75.3 -14.7 45.6 11.4 7.3 69 71 A G T X> + 0 0 0 -3,-1.9 3,-1.2 137,-0.6 4,-1.1 -0.325 63.0 6.3 63.0-125.1 42.6 12.6 9.2 70 72 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.765 125.3 66.8 -63.1 -26.0 40.5 9.9 10.9 71 73 A I H <> S+ 0 0 1 -3,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.802 98.1 52.6 -67.0 -30.1 43.2 7.3 9.9 72 74 A A H <> S+ 0 0 0 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.905 110.7 46.7 -67.6 -42.6 45.7 9.1 12.2 73 75 A F H X S+ 0 0 5 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.931 115.2 47.2 -62.8 -44.5 43.2 8.8 15.1 74 76 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.4 0.919 112.2 48.0 -66.7 -43.8 42.5 5.2 14.3 75 77 A H H X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.903 108.9 54.7 -62.4 -42.3 46.2 4.2 14.0 76 78 A K H < S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.793 116.0 39.5 -60.6 -29.1 47.0 6.0 17.3 77 79 A A H < S+ 0 0 19 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.880 134.6 14.4 -89.2 -44.1 44.3 3.8 19.0 78 80 A I H < S- 0 0 54 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.367 96.2-135.7-118.1 2.5 44.7 0.4 17.4 79 81 A G < - 0 0 26 -4,-2.3 2,-0.4 -5,-0.4 -1,-0.3 -0.230 49.6 -32.2 73.2-165.1 48.1 0.6 15.6 80 82 A D S S+ 0 0 47 345,-0.1 2,-0.3 4,-0.1 344,-0.0 -0.779 81.9 112.2 -95.8 135.4 48.8 -0.7 12.1 81 83 A N S > S- 0 0 51 -2,-0.4 4,-2.6 1,-0.0 5,-0.1 -0.934 79.4 -66.3-177.2-174.3 46.9 -3.7 10.8 82 84 A I H > S+ 0 0 63 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.770 127.1 54.7 -68.1 -26.3 44.4 -4.7 8.2 83 85 A I H > S+ 0 0 65 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.980 111.0 43.4 -69.0 -56.9 41.6 -2.8 9.9 84 86 A T H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.925 117.2 49.6 -49.1 -48.7 43.5 0.5 9.9 85 87 A G H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.912 110.8 47.1 -58.3 -49.0 44.5 -0.3 6.3 86 88 A A H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.792 109.2 55.8 -65.4 -30.7 41.0 -1.1 5.1 87 89 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.834 103.5 53.6 -71.5 -33.1 39.7 2.1 6.8 88 90 A S H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 213,-0.3 0.916 112.3 45.0 -64.8 -42.0 42.1 4.2 4.8 89 91 A I H X S+ 0 0 11 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.888 112.2 52.7 -64.2 -40.6 40.8 2.6 1.6 90 92 A L H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.876 106.0 52.7 -65.1 -39.4 37.2 3.1 2.9 91 93 A L H X S+ 0 0 4 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.902 110.6 48.0 -62.4 -41.6 37.9 6.8 3.5 92 94 A W H >X S+ 0 0 24 -4,-1.7 4,-1.8 205,-0.3 3,-1.2 0.972 110.7 51.8 -58.9 -53.7 39.1 7.1 -0.1 93 95 A M H 3X S+ 0 0 15 -4,-3.0 4,-2.7 1,-0.3 5,-0.3 0.842 100.8 61.8 -49.2 -40.1 35.9 5.2 -1.2 94 96 A S H 3X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.3 0.857 107.6 44.1 -58.3 -35.3 33.8 7.7 0.8 95 97 A Y H X S+ 0 0 22 -4,-2.6 4,-2.3 2,-0.2 3,-0.5 0.939 109.7 49.2 -61.7 -49.7 24.6 18.1 -11.3 107 109 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.887 106.6 58.3 -56.9 -42.5 22.8 16.2 -14.0 108 110 A G H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.803 115.9 32.0 -58.5 -37.1 19.5 16.6 -12.2 109 111 A Y H S+ 0 0 5 -4,-2.1 5,-2.1 1,-0.2 4,-0.3 0.888 110.6 47.3 -62.2 -45.5 19.1 18.9 -17.9 112 114 A P H >45S+ 0 0 31 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.863 109.8 56.6 -60.9 -34.6 15.9 20.8 -17.0 113 115 A L H 3<5S+ 0 0 40 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.876 113.2 38.2 -62.4 -40.3 17.9 24.0 -17.3 114 116 A I T 3<5S- 0 0 91 -4,-1.7 -1,-0.2 2,-0.1 -3,-0.1 0.298 114.9-113.9 -95.1 8.3 18.9 23.3 -20.9 115 117 A N T < 5 + 0 0 152 -3,-0.8 -4,-0.1 -4,-0.3 -2,-0.1 0.639 63.6 152.4 68.2 16.7 15.5 21.8 -21.7 116 118 A A < - 0 0 22 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.569 47.7-112.0 -76.8 140.1 17.0 18.3 -22.3 117 119 A P - 0 0 82 0, 0.0 2,-0.9 0, 0.0 5,-0.1 -0.373 30.4-106.7 -67.1 150.4 14.7 15.4 -21.6 118 120 A I + 0 0 98 4,-0.1 2,-0.3 -2,-0.1 -10,-0.0 -0.731 55.1 157.1 -80.9 107.4 15.3 13.1 -18.7 119 121 A N > - 0 0 73 -2,-0.9 4,-2.2 1,-0.1 5,-0.2 -0.893 56.5-121.0-120.0 158.9 16.7 9.8 -20.1 120 122 A T H > S+ 0 0 134 -2,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.800 121.7 48.0 -59.8 -30.2 18.8 7.1 -18.6 121 123 A F H > S+ 0 0 140 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.925 109.9 47.4 -77.0 -49.3 21.1 8.1 -21.4 122 124 A N H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.868 114.9 47.8 -60.4 -40.1 21.0 11.9 -21.0 123 125 A I H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.962 113.1 48.3 -61.9 -53.3 21.6 11.4 -17.2 124 126 A A H X S+ 0 0 21 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.891 111.9 49.2 -53.6 -47.8 24.5 9.0 -17.9 125 127 A I H X S+ 0 0 86 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.880 111.3 48.8 -59.3 -42.7 26.2 11.3 -20.5 126 128 A T H X S+ 0 0 16 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.859 112.2 48.5 -71.6 -37.5 26.0 14.4 -18.2 127 129 A E H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.938 114.4 44.8 -64.8 -51.1 27.5 12.4 -15.3 128 130 A I H X S+ 0 0 75 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.941 115.3 50.7 -56.1 -48.6 30.3 11.1 -17.4 129 131 A G H X S+ 0 0 42 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.883 111.3 44.7 -58.1 -47.0 30.8 14.6 -18.9 130 132 A I H X S+ 0 0 15 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.876 115.6 47.4 -69.8 -37.2 31.0 16.5 -15.6 131 133 A V H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 112.0 49.6 -68.8 -48.0 33.3 13.9 -14.0 132 134 A A H X S+ 0 0 53 -4,-3.0 4,-3.1 -5,-0.2 5,-0.2 0.903 109.1 54.5 -53.8 -42.6 35.6 13.9 -17.1 133 135 A F H X S+ 0 0 99 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.921 111.0 43.2 -57.9 -47.3 35.6 17.7 -16.9 134 136 A F H < S+ 0 0 3 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.777 113.0 54.1 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0.879 108.7 59.8 -63.6 -37.2 38.5 26.9 -9.4 146 148 A G H >< S+ 0 0 18 -4,-1.5 3,-0.6 -5,-0.3 4,-0.5 0.886 103.4 48.6 -54.9 -43.6 40.0 26.3 -6.0 147 149 A R H 3< S+ 0 0 177 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.746 111.0 52.1 -68.9 -26.2 40.5 30.1 -5.5 148 150 A A H 3X S+ 0 0 40 -4,-1.0 4,-2.0 -3,-0.3 3,-0.4 0.628 88.0 84.9 -82.2 -16.4 36.9 30.6 -6.7 149 151 A E H S+ 0 0 67 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.835 113.0 45.9 -59.7 -36.5 35.2 30.6 -1.3 151 153 A F H > S+ 0 0 132 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.804 109.7 53.4 -81.2 -30.4 33.3 33.1 -3.4 152 154 A I H X S+ 0 0 28 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.884 108.3 51.8 -66.1 -41.0 31.0 30.5 -4.9 153 155 A V H X S+ 0 0 6 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.893 109.8 48.8 -62.9 -41.5 30.1 29.4 -1.3 154 156 A L H X S+ 0 0 83 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.915 112.3 48.4 -63.1 -45.8 29.3 33.0 -0.3 155 157 A V H X S+ 0 0 83 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.943 110.9 48.4 -63.0 -49.6 27.1 33.6 -3.4 156 158 A K H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.799 108.8 55.7 -63.0 -28.7 25.1 30.3 -2.9 157 159 A L H X S+ 0 0 51 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.864 109.8 45.9 -69.5 -36.1 24.5 31.2 0.7 158 160 A L H X S+ 0 0 130 -4,-1.6 4,-2.7 -3,-0.3 -2,-0.2 0.927 111.8 51.0 -68.3 -47.2 23.0 34.6 -0.4 159 161 A I H X S+ 0 0 20 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.885 113.8 45.0 -55.7 -43.0 20.9 32.9 -3.0 160 162 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.749 107.9 58.2 -75.6 -25.7 19.7 30.4 -0.3 161 163 A G H X S+ 0 0 23 -4,-1.3 4,-2.4 2,-0.2 5,-0.3 0.925 108.7 46.1 -62.6 -46.2 19.2 33.4 2.0 162 164 A L H X>S+ 0 0 81 -4,-2.7 4,-2.4 1,-0.2 5,-0.6 0.948 111.3 51.7 -58.6 -51.3 16.8 34.8 -0.6 163 165 A F H X5S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.844 114.7 43.5 -54.4 -40.2 15.1 31.5 -1.0 164 166 A I H X5S+ 0 0 17 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.980 118.8 37.8 -71.8 -57.8 14.5 31.1 2.8 165 167 A F H X5S+ 0 0 147 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.743 120.5 43.8 -75.2 -28.8 13.4 34.7 3.7 166 168 A A H X5S+ 0 0 29 -4,-2.4 4,-0.7 -5,-0.3 3,-0.4 0.852 113.8 53.6 -77.3 -38.6 11.2 35.4 0.7 167 169 A G H X - 0 0 120 71,-2.0 3,-2.2 1,-0.1 -1,-0.1 -0.887 15.2-155.7 -89.4 111.0 1.3 28.2 4.4 173 175 A P G >> S+ 0 0 92 0, 0.0 3,-1.6 0, 0.0 4,-1.4 0.735 89.4 72.8 -59.2 -25.3 2.0 27.5 8.1 174 176 A S G 34 S+ 0 0 89 1,-0.3 69,-0.0 2,-0.2 -3,-0.0 0.629 100.7 42.4 -65.6 -19.5 -0.5 24.7 7.8 175 177 A Y G <4 S+ 0 0 71 -3,-2.2 -1,-0.3 68,-0.1 69,-0.1 -0.005 107.1 62.4-114.1 31.6 2.1 22.7 5.9 176 178 A V T <4 S+ 0 0 39 -3,-1.6 -2,-0.2 67,-0.1 3,-0.1 0.631 77.0 97.9-115.6 -36.4 5.0 23.6 8.1 177 179 A I S < S- 0 0 103 -4,-1.4 2,-0.1 1,-0.1 -140,-0.0 -0.330 88.1-100.6 -57.9 128.5 3.7 22.0 11.3 178 180 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.305 28.7-125.3 -62.7 132.1 5.3 18.5 11.9 179 181 A D - 0 0 53 1,-0.1 -4,-0.0 5,-0.1 -141,-0.0 -0.660 21.6-169.9 -78.2 121.6 3.2 15.5 10.9 180 182 A L + 0 0 139 -2,-0.5 -1,-0.1 4,-0.1 5,-0.0 0.265 39.0 128.8-104.0 10.9 2.9 13.2 14.0 181 183 A A S >> S- 0 0 37 1,-0.1 4,-2.5 2,-0.0 3,-0.8 -0.415 71.0-116.1 -60.1 140.0 1.4 10.2 12.2 182 184 A P H 3> S+ 0 0 113 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.792 116.8 46.2 -50.5 -36.4 3.3 6.9 13.0 183 185 A S H 3> S+ 0 0 96 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.749 111.8 50.7 -79.2 -27.5 4.3 6.5 9.3 184 186 A A H <> S+ 0 0 17 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.851 112.9 47.3 -74.7 -36.3 5.2 10.2 9.0 185 187 A V H X S+ 0 0 50 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.858 112.7 47.9 -70.2 -39.9 7.5 9.9 12.0 186 188 A S H X S+ 0 0 53 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.781 109.9 52.0 -76.3 -28.2 9.1 6.6 10.8 187 189 A G H X S+ 0 0 11 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.856 108.0 53.9 -69.2 -37.4 9.7 8.1 7.4 188 190 A M H X S+ 0 0 30 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.841 111.2 45.1 -61.7 -38.0 11.4 11.0 9.2 189 191 A I H X S+ 0 0 60 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.867 112.9 48.6 -79.0 -39.0 13.7 8.6 11.1 190 192 A F H >X S+ 0 0 31 -4,-2.0 4,-1.4 2,-0.2 3,-0.5 0.920 111.2 50.8 -65.4 -42.3 14.6 6.5 8.0 191 193 A A H 3X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.889 102.7 61.1 -61.0 -39.7 15.4 9.6 6.0 192 194 A S H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 101.7 53.2 -55.7 -36.2 17.6 10.8 8.9 193 195 A A H X< S+ 0 0 0 -4,-1.1 3,-0.8 -3,-0.5 -1,-0.2 0.901 113.5 41.4 -64.7 -45.1 19.7 7.7 8.4 194 196 A I H >< S+ 0 0 0 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.877 112.8 56.5 -67.1 -38.5 20.2 8.5 4.7 195 197 A F G >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.2 -1,-0.2 0.213 74.1 97.8 -85.5 14.1 20.7 12.2 5.5 196 198 A F G X S+ 0 0 0 -3,-0.8 3,-1.9 1,-0.2 -1,-0.2 0.888 75.7 65.1 -64.2 -37.5 23.6 11.6 7.8 197 199 A L G X S+ 0 0 0 -3,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.651 77.9 85.3 -59.7 -18.5 25.9 12.4 4.8 198 200 A S G < S+ 0 0 0 -3,-0.8 -1,-0.3 1,-0.3 -175,-0.2 0.678 90.8 49.1 -55.8 -19.1 24.4 16.0 5.0 199 201 A Y G X + 0 0 1 -3,-1.9 3,-0.7 1,-0.1 -1,-0.3 -0.246 68.4 135.5-118.6 43.1 27.1 16.7 7.6 200 202 A M T X> + 0 0 4 -3,-1.5 3,-0.9 1,-0.2 4,-0.6 0.126 31.4 114.1 -79.9 20.8 30.1 15.3 5.7 201 203 A G H 3> + 0 0 2 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 0.680 57.4 78.1 -63.8 -19.1 32.2 18.3 6.6 202 204 A F H <> S+ 0 0 2 -3,-0.7 4,-2.3 1,-0.2 5,-0.3 0.845 89.7 54.2 -58.7 -40.1 34.5 16.1 8.7 203 205 A G H <> S+ 0 0 6 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.978 108.6 40.6 -64.0 -66.0 36.4 14.7 5.7 204 206 A V H < S+ 0 0 2 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 118.4 50.8 -56.8 -30.0 37.6 17.7 3.9 205 207 A I H >< S+ 0 0 0 -4,-1.3 3,-1.0 2,-0.2 -1,-0.2 0.954 114.5 38.6 -72.6 -53.2 38.5 19.4 7.2 206 208 A T H >< S+ 0 0 2 -4,-2.3 3,-1.1 1,-0.3 -137,-0.6 0.826 112.4 56.5 -73.7 -31.9 40.6 16.7 8.8 207 209 A N T 3< S+ 0 0 0 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.534 115.4 41.5 -70.2 -8.3 42.3 15.7 5.5 208 210 A A T X S+ 0 0 0 -3,-1.0 3,-1.8 -5,-0.2 -1,-0.2 0.220 79.6 115.6-114.7 10.4 43.4 19.3 5.4 209 211 A S G X S+ 0 0 8 -3,-1.1 3,-1.0 -143,-0.4 -142,-0.1 0.788 77.2 49.1 -59.6 -30.9 44.3 19.7 9.1 210 212 A E G 3 S+ 0 0 48 1,-0.2 -1,-0.3 -4,-0.2 -207,-0.2 0.666 109.5 54.1 -79.8 -16.7 48.0 20.3 8.4 211 213 A H G < S+ 0 0 3 -3,-1.8 -205,-2.9 -206,-0.1 2,-0.5 0.101 93.7 92.4 -96.7 17.8 47.0 22.9 5.8 212 214 A I B < S-a 6 0A 0 -3,-1.0 -205,-0.2 -207,-0.3 7,-0.1 -0.968 83.8-114.4-116.6 127.5 44.8 24.7 8.4 213 215 A E S S- 0 0 99 -207,-2.7 5,-0.3 -2,-0.5 -2,-0.1 -0.326 97.3 -4.0 -56.9 134.2 46.3 27.6 10.5 214 216 A N S >> S- 0 0 95 3,-0.1 4,-3.1 1,-0.1 3,-1.4 0.913 82.3-175.1 44.6 59.2 46.5 26.7 14.3 215 217 A P H 3> S+ 0 0 23 0, 0.0 4,-2.8 0, 0.0 -1,-0.1 0.772 72.3 63.3 -61.9 -32.8 44.7 23.3 13.6 216 218 A K H 34 S+ 0 0 92 2,-0.2 -2,-0.1 1,-0.2 -152,-0.1 0.809 119.7 27.8 -61.5 -29.4 44.4 22.2 17.2 217 219 A K H <> S+ 0 0 95 -3,-1.4 4,-1.7 2,-0.1 -1,-0.2 0.872 127.6 43.3 -90.2 -51.6 42.2 25.2 17.8 218 220 A N H X S+ 0 0 18 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.667 103.3 60.7 -81.3 -21.1 40.7 25.6 14.2 219 221 A V H X S+ 0 0 4 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.971 111.9 40.7 -66.7 -52.3 39.9 22.0 13.2 220 222 A P H > S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.906 117.7 48.7 -60.2 -41.1 37.5 21.6 16.1 221 223 A R H X S+ 0 0 118 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.900 111.1 49.6 -65.6 -39.9 36.1 25.1 15.6 222 224 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.832 111.1 49.9 -67.4 -33.8 35.6 24.6 11.9 223 225 A I H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.939 116.4 40.7 -69.4 -46.7 33.8 21.3 12.5 224 226 A F H X S+ 0 0 103 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.940 117.1 46.6 -68.3 -49.8 31.4 22.8 15.0 225 227 A I H X S+ 0 0 42 -4,-2.8 4,-2.5 1,-0.2 -3,-0.2 0.923 112.0 50.9 -59.3 -46.9 30.7 26.1 13.3 226 228 A S H X S+ 0 0 1 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.865 108.9 51.2 -63.3 -37.2 30.2 24.5 9.9 227 229 A I H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.935 111.7 47.4 -63.6 -45.6 27.6 22.0 11.3 228 230 A L H X S+ 0 0 60 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.899 110.7 51.4 -64.1 -43.6 25.6 24.8 13.0 229 231 A I H X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.969 113.8 42.8 -55.0 -56.4 25.6 27.0 9.9 230 232 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.831 108.0 59.7 -67.0 -32.4 24.3 24.2 7.6 231 233 A M H X S+ 0 0 24 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.945 110.8 42.4 -55.9 -48.2 21.7 23.0 10.2 232 234 A F H X 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