==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 27-APR-07 2YXQ . COMPND 2 MOLECULE: PREPROTEIN TRANSLOCASE SUBUNIT SECY; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR W.LI,S.SCHULMAN . 524 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 81.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 29 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 1 1 0 0 0 1 1 0 1 0 0 0 1 0 2 2 0 1 1 1 0 0 0 2 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 . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A K 0 0 238 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.5 -6.7 16.8 -45.4 2 3 A K - 0 0 130 98,-0.0 2,-2.2 0, 0.0 5,-0.0 -0.963 360.0 -76.3-157.3 173.3 -9.2 19.0 -43.7 3 4 A L S > S+ 0 0 108 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.034 76.9 137.9 -66.7 34.2 -11.7 21.9 -44.0 4 5 A I H > + 0 0 54 -2,-2.2 4,-1.8 3,-0.2 -1,-0.2 0.762 54.3 62.6 -54.5 -34.7 -8.5 24.1 -44.0 5 6 A P H >> S+ 0 0 84 0, 0.0 3,-1.1 0, 0.0 4,-0.8 0.991 115.0 27.2 -57.9 -71.7 -9.6 26.5 -46.8 6 7 A I H >> S+ 0 0 111 1,-0.3 4,-1.5 2,-0.2 3,-1.4 0.896 119.3 62.1 -57.8 -37.6 -12.7 28.1 -45.3 7 8 A L H 3< S+ 0 0 16 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.2 0.836 104.0 47.5 -57.2 -32.3 -11.1 27.4 -42.0 8 9 A E H << S+ 0 0 65 -4,-1.8 492,-0.5 -3,-1.1 491,-0.5 0.611 106.2 59.6 -83.1 -12.6 -8.3 29.7 -43.1 9 10 A K H << S+ 0 0 135 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.731 81.8 98.2 -84.1 -27.2 -10.9 32.2 -44.2 10 11 A I S < S- 0 0 24 -4,-1.5 490,-0.2 -3,-0.1 97,-0.1 -0.525 80.5-120.3 -67.5 112.4 -12.4 32.5 -40.6 11 12 A P - 0 0 45 0, 0.0 2,-0.2 0, 0.0 490,-0.1 0.109 32.2-174.9 -48.9 160.7 -10.9 35.6 -38.9 12 13 A E - 0 0 10 488,-0.2 490,-0.7 486,-0.1 2,-0.5 -0.746 28.3 -84.7-143.3-169.4 -8.8 35.5 -35.7 13 14 A V B -a 502 0A 2 -2,-0.2 2,-0.6 488,-0.2 490,-0.2 -0.928 31.4-122.8-117.9 131.0 -7.2 37.9 -33.2 14 15 A E - 0 0 45 488,-2.7 487,-0.0 -2,-0.5 143,-0.0 -0.532 26.4-155.7 -69.2 110.8 -3.8 39.5 -33.5 15 16 A L - 0 0 74 -2,-0.6 2,-0.3 488,-0.1 143,-0.1 -0.815 8.6-143.5 -94.7 110.2 -1.8 38.5 -30.4 16 17 A P - 0 0 39 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.538 11.6-156.0 -75.4 131.3 1.0 41.0 -29.6 17 18 A V S S+ 0 0 154 -2,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.330 70.6 106.0 -84.4 8.0 4.3 39.6 -28.2 18 19 A K S S- 0 0 177 1,-0.1 2,-0.7 0, 0.0 0, 0.0 0.042 89.5 -66.1 -74.2-173.1 4.5 43.1 -26.8 19 20 A E - 0 0 158 1,-0.0 2,-0.7 2,-0.0 -1,-0.1 -0.710 44.3-174.5 -85.6 116.2 4.0 44.3 -23.2 20 21 A I - 0 0 64 -2,-0.7 5,-0.1 -3,-0.1 -1,-0.0 -0.878 22.3-145.3-110.5 93.1 0.4 43.8 -22.1 21 22 A T >> - 0 0 37 -2,-0.7 4,-2.9 1,-0.1 3,-1.2 -0.219 19.4-118.1 -61.2 149.7 0.4 45.4 -18.6 22 23 A F H 3> S+ 0 0 41 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.954 120.3 54.8 -48.3 -54.6 -1.7 44.1 -15.7 23 24 A K H 3> S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.775 111.9 45.9 -50.3 -30.2 -3.4 47.4 -15.8 24 25 A E H <> S+ 0 0 82 -3,-1.2 4,-3.2 2,-0.2 5,-0.3 0.944 106.3 52.8 -81.0 -54.9 -4.1 46.8 -19.5 25 26 A K H X S+ 0 0 49 -4,-2.9 4,-2.1 1,-0.2 135,-0.4 0.893 116.1 47.5 -47.4 -36.7 -5.3 43.2 -19.4 26 27 A L H X S+ 0 0 74 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.998 110.6 45.7 -66.5 -67.5 -7.7 44.7 -16.7 27 28 A K H X S+ 0 0 133 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.786 113.1 54.8 -48.8 -30.5 -8.9 47.7 -18.6 28 29 A W H >X S+ 0 0 46 -4,-3.2 4,-1.8 130,-0.3 3,-1.0 0.995 106.5 47.4 -66.4 -61.7 -9.4 45.5 -21.6 29 30 A T H 3X S+ 0 0 27 -4,-2.1 4,-2.7 1,-0.3 3,-0.4 0.908 108.8 57.5 -42.2 -54.8 -11.6 43.0 -19.9 30 31 A G H 3X S+ 0 0 34 -4,-2.5 4,-2.1 1,-0.3 -1,-0.3 0.855 102.7 52.5 -45.9 -45.2 -13.6 45.9 -18.5 31 32 A I H X S+ 0 0 51 -4,-3.3 3,-2.2 1,-0.2 4,-1.4 0.975 104.7 50.7 -60.7 -52.0 -24.9 47.1 -23.0 39 40 A M H 3< S+ 0 0 1 -4,-2.4 25,-1.0 -5,-0.4 3,-0.4 0.924 104.6 58.3 -56.0 -36.0 -26.1 44.6 -25.6 40 41 A G H 3< S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.746 103.9 53.9 -66.4 -18.3 -28.3 43.1 -23.0 41 42 A C H << S+ 0 0 4 -3,-2.2 2,-0.4 -4,-0.8 -1,-0.2 0.800 94.8 81.2 -82.0 -30.5 -30.0 46.4 -22.7 42 43 A I S < S- 0 0 28 -4,-1.4 22,-1.8 -3,-0.4 23,-0.2 -0.657 72.8-137.9 -85.9 126.4 -30.7 46.8 -26.4 43 44 A D B -B 63 0B 59 -2,-0.4 20,-0.3 20,-0.2 480,-0.2 -0.451 25.8-104.7 -80.0 150.7 -33.8 45.1 -28.0 44 45 A V - 0 0 10 18,-2.4 2,-0.6 -2,-0.1 -1,-0.1 -0.435 45.1 -95.1 -72.4 148.8 -33.6 43.5 -31.4 45 46 A Y + 0 0 68 -2,-0.1 2,-0.2 91,-0.1 -1,-0.1 -0.559 69.6 135.5 -70.6 111.9 -35.2 45.4 -34.3 46 47 A T - 0 0 20 -2,-0.6 4,-0.1 1,-0.1 -2,-0.0 -0.789 52.4-144.6-165.3 114.3 -38.7 44.0 -34.6 47 48 A A S S+ 0 0 64 -2,-0.2 2,-2.2 1,-0.2 -1,-0.1 0.834 92.1 82.1 -45.2 -39.6 -42.0 45.9 -35.1 48 49 A G - 0 0 11 1,-0.2 2,-2.0 80,-0.1 -1,-0.2 -0.551 62.3-177.2 -71.2 78.0 -43.6 43.2 -33.0 49 50 A A + 0 0 87 -2,-2.2 2,-0.4 2,-0.0 -1,-0.2 -0.199 58.1 99.8 -70.7 42.9 -42.6 44.9 -29.7 50 51 A Q + 0 0 131 -2,-2.0 78,-0.3 -4,-0.1 -2,-0.1 -0.951 43.6 170.2-143.0 124.8 -44.3 41.7 -28.4 51 52 A I > - 0 0 43 -2,-0.4 5,-0.6 76,-0.1 4,-0.2 -0.918 65.4 -88.9-124.7 90.1 -42.8 38.5 -27.2 52 53 A P T >>5 - 0 0 38 0, 0.0 4,-1.8 0, 0.0 3,-1.7 0.414 32.9-117.0 -12.2 134.5 -45.8 36.8 -25.7 53 54 A A H 3>5S+ 0 0 83 1,-0.3 4,-0.6 2,-0.2 -3,-0.0 0.687 115.6 79.6 -51.0 -10.3 -45.9 37.9 -22.1 54 55 A I H 345S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.921 104.4 19.3 -64.2 -53.6 -45.4 34.1 -22.1 55 56 A F H X45S+ 0 0 13 -3,-1.7 3,-1.6 -4,-0.2 -2,-0.2 0.497 99.3 100.1 -97.6 -7.5 -41.6 34.1 -22.9 56 57 A E H 3< S-B 43 0B 16 -20,-0.3 3,-2.1 1,-0.0 -1,-0.5 -0.489 95.4 -92.1-106.0 175.9 -32.0 41.5 -27.0 64 70 A L T 3 S+ 0 0 5 -22,-1.8 -24,-0.1 -25,-1.0 3,-0.1 0.599 129.0 45.2 -62.1 -10.2 -29.0 41.7 -29.2 65 71 A I T > + 0 0 10 -26,-0.3 3,-0.5 -23,-0.2 -1,-0.3 -0.018 67.8 138.6-123.8 29.4 -27.7 38.7 -27.4 66 72 A T T < S+ 0 0 2 -3,-2.1 -1,-0.1 1,-0.3 -2,-0.1 0.692 82.6 40.4 -47.6 -21.6 -30.9 36.6 -27.4 67 73 A L T > S+ 0 0 12 74,-0.3 3,-1.3 -3,-0.1 -1,-0.3 0.754 88.1 165.5 -98.7 -33.0 -28.7 33.6 -28.2 68 74 A G T < - 0 0 1 -3,-0.5 4,-0.4 1,-0.3 80,-0.1 -0.008 69.0 -18.8 50.6-151.6 -25.7 34.4 -25.9 69 75 A I T 3> S+ 0 0 13 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.586 110.7 106.8 -61.5 -9.2 -23.1 31.8 -25.1 70 76 A G H <> S+ 0 0 27 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.857 80.1 37.7 -36.6 -63.9 -25.7 29.4 -26.3 71 77 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.979 112.6 56.6 -57.8 -56.7 -24.1 28.5 -29.7 72 78 A I H > S+ 0 0 26 -4,-0.4 4,-2.0 1,-0.3 -2,-0.2 0.863 112.5 42.9 -43.3 -45.1 -20.5 28.5 -28.4 73 79 A V H X S+ 0 0 21 -4,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.934 110.0 56.0 -70.0 -44.4 -21.5 25.9 -25.8 74 80 A T H >X S+ 0 0 11 -4,-2.3 4,-1.7 -5,-0.3 3,-1.3 0.966 108.6 47.9 -49.9 -60.9 -23.5 23.8 -28.2 75 81 A A H >X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.3 3,-0.9 0.930 109.3 52.2 -44.0 -60.4 -20.6 23.5 -30.6 76 82 A G H 3X S+ 0 0 9 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.3 0.811 105.5 58.4 -48.6 -30.6 -18.3 22.5 -27.7 77 83 A I H S+ 0 0 24 -4,-0.2 3,-2.6 1,-0.2 -1,-0.1 0.251 82.2 133.0 67.3 -18.7 -13.8 7.9 -30.2 87 93 A I T 3 S+ 0 0 115 -5,-0.4 -4,-0.2 1,-0.3 -1,-0.2 0.739 89.3 17.4 -32.5 -35.0 -16.1 8.4 -33.1 88 94 A I T 3 S- 0 0 88 -6,-0.8 -1,-0.3 2,-0.1 -2,-0.1 -0.393 94.9-154.3-140.9 57.4 -13.4 10.5 -34.6 89 95 A Q < + 0 0 169 -3,-2.6 2,-0.3 -4,-0.1 -6,-0.1 0.037 19.8 172.4 -36.4 129.9 -10.3 9.5 -32.6 90 96 A M - 0 0 60 -7,-0.2 2,-1.0 7,-0.0 3,-0.1 -0.986 30.5-148.8-148.6 133.7 -7.6 12.2 -32.5 91 97 A D > - 0 0 95 -2,-0.3 3,-0.9 1,-0.2 6,-0.3 -0.791 16.8-167.5-104.8 87.7 -4.4 12.4 -30.5 92 98 A L T 3 + 0 0 24 -2,-1.0 6,-1.1 1,-0.2 -1,-0.2 0.802 58.3 105.0 -41.5 -48.5 -4.1 16.2 -30.0 93 99 A S T 3 + 0 0 73 4,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.541 68.4 73.2 -2.1 -65.6 -0.5 16.1 -28.8 94 100 A I S <> S- 0 0 87 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 -0.356 96.2-118.4 -65.0 138.3 0.7 17.5 -32.2 95 101 A P H > S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.700 112.5 66.7 -49.5 -17.7 -0.1 21.1 -32.9 96 102 A E H > S+ 0 0 114 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.988 104.2 34.8 -65.3 -78.8 -2.1 19.7 -35.7 97 103 A N H > S+ 0 0 27 -6,-0.3 4,-3.4 1,-0.2 5,-0.3 0.822 119.3 55.3 -45.2 -40.0 -4.8 17.8 -33.9 98 104 A R H X S+ 0 0 124 -4,-2.2 4,-2.1 -6,-1.1 -1,-0.2 0.988 115.8 34.1 -59.2 -62.4 -4.8 20.6 -31.2 99 105 A A H X S+ 0 0 7 -4,-2.1 4,-1.2 2,-0.2 5,-0.3 0.619 119.3 56.4 -68.5 -13.7 -5.4 23.4 -33.7 100 106 A L H X S+ 0 0 33 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.949 106.9 45.0 -78.9 -59.4 -7.6 21.1 -35.7 101 107 A F H X S+ 0 0 5 -4,-3.4 4,-2.0 -5,-0.2 -2,-0.2 0.898 123.9 40.2 -48.4 -44.1 -9.9 20.2 -32.9 102 108 A Q H X S+ 0 0 80 -4,-2.1 4,-2.1 -5,-0.3 3,-0.4 0.984 113.1 46.7 -69.9 -82.9 -10.0 23.9 -32.1 103 109 A G H X S+ 0 0 16 -4,-1.2 4,-1.9 1,-0.3 -3,-0.2 0.794 117.0 49.9 -27.4 -47.3 -10.1 25.7 -35.4 104 110 A C H X S+ 0 0 48 -4,-2.5 4,-2.1 -5,-0.3 5,-0.3 0.976 107.2 50.0 -60.8 -59.1 -12.8 23.2 -36.4 105 111 A Q H X S+ 0 0 44 -4,-2.0 4,-2.3 -3,-0.4 -1,-0.2 0.865 108.2 57.3 -46.9 -42.1 -15.0 23.7 -33.2 106 112 A K H X S+ 0 0 25 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.955 104.9 48.7 -55.5 -55.7 -14.8 27.4 -33.8 107 113 A L H >X S+ 0 0 43 -4,-1.9 4,-1.9 -5,-0.3 3,-1.3 0.948 111.6 49.8 -49.8 -54.7 -16.3 27.2 -37.3 108 114 A L H 3X S+ 0 0 27 -4,-2.1 4,-3.5 1,-0.3 5,-0.4 0.847 100.6 65.1 -52.6 -39.3 -19.1 24.9 -36.0 109 115 A S H 3X S+ 0 0 6 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.3 0.891 106.3 42.6 -51.1 -42.8 -19.7 27.5 -33.3 110 116 A I H X S+ 0 0 84 -4,-1.9 4,-2.4 1,-0.2 3,-1.1 0.997 114.2 41.5 -55.0 -62.9 -22.7 27.2 -37.9 112 118 A M H 3X S+ 0 0 16 -4,-3.5 4,-2.8 1,-0.3 5,-0.3 0.749 104.2 70.9 -54.1 -27.6 -24.6 26.7 -34.7 113 119 A C H 3X S+ 0 0 0 -4,-1.0 4,-1.4 -5,-0.4 -1,-0.3 0.940 110.4 29.6 -55.8 -49.3 -24.6 30.4 -34.3 114 120 A F H X S+ 0 0 2 -4,-1.4 4,-1.9 -5,-0.3 3,-0.6 0.954 115.0 36.8 -45.0 -64.3 -30.9 31.8 -34.4 118 124 A V H 3X S+ 0 0 74 -4,-2.8 4,-2.9 1,-0.3 -1,-0.2 0.904 114.8 56.2 -55.2 -45.9 -33.3 30.1 -36.8 119 125 A L H 3X S+ 0 0 20 -4,-3.1 4,-0.7 -5,-0.3 -1,-0.3 0.833 106.7 52.5 -57.5 -34.2 -34.1 27.4 -34.3 120 126 A F H <<>S+ 0 0 16 -4,-3.1 5,-1.5 -3,-0.6 3,-0.4 0.950 114.6 36.9 -68.3 -53.7 -35.1 30.2 -31.8 121 127 A V H ><5S+ 0 0 15 -4,-1.9 3,-1.3 1,-0.2 5,-0.3 0.845 116.4 56.3 -68.1 -31.5 -37.5 32.1 -34.0 122 128 A G H 3<5S+ 0 0 20 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.713 101.0 56.7 -71.1 -20.4 -38.6 28.7 -35.4 123 129 A A T 3<5S- 0 0 5 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.405 124.7-110.0 -87.9 0.5 -39.4 27.7 -31.8 124 130 A G T < 5 + 0 0 1 -3,-1.3 -3,-0.2 -5,-0.0 -2,-0.2 0.924 63.2 156.4 71.7 46.0 -41.7 30.8 -31.8 125 131 A A S - 0 0 62 -2,-0.9 4,-4.0 1,-0.2 5,-0.4 -0.448 37.7-137.0 -58.9 101.4 -43.3 37.3 -40.9 131 137 A P H > S+ 0 0 119 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.752 103.2 43.8 -31.6 -35.9 -41.0 35.4 -43.4 132 138 A L H > S+ 0 0 119 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.963 119.7 36.9 -76.1 -57.8 -39.4 38.8 -44.0 133 139 A L H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.812 114.6 59.6 -64.7 -32.8 -39.1 40.1 -40.5 134 140 A A H X S+ 0 0 15 -4,-4.0 4,-2.1 2,-0.2 -1,-0.2 0.927 107.1 45.4 -61.3 -48.9 -38.3 36.6 -39.3 135 141 A F H X S+ 0 0 125 -4,-1.3 4,-2.0 -5,-0.4 -2,-0.2 0.987 111.9 51.7 -56.5 -61.6 -35.3 36.5 -41.6 136 142 A L H X S+ 0 0 56 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.869 110.7 49.1 -40.4 -53.5 -34.1 40.0 -40.5 137 143 A V H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.985 105.4 54.6 -51.5 -72.5 -34.3 39.0 -36.9 138 144 A I H X S+ 0 0 24 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.781 106.5 57.1 -28.5 -49.6 -32.3 35.8 -37.3 139 145 A I H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.963 110.6 38.4 -48.0 -82.6 -29.6 37.9 -38.8 140 146 A Q H X S+ 0 0 18 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.839 115.9 55.1 -35.0 -57.5 -29.1 40.3 -35.9 141 147 A I H >X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 3,-1.1 0.936 112.8 37.0 -43.3 -73.1 -29.5 37.6 -33.4 142 148 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.3 -1,-0.2 0.745 115.0 58.6 -57.7 -24.6 -26.9 35.2 -34.6 143 149 A F H 3X S+ 0 0 83 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.3 0.795 104.5 50.0 -74.9 -30.8 -24.6 38.2 -35.5 144 150 A G H X S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 4,-0.9 0.965 112.4 39.3 -50.3 -65.7 -10.3 39.4 -27.2 155 161 A V H >X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.3 3,-1.1 0.920 110.9 61.3 -51.0 -47.1 -10.5 38.8 -23.5 156 162 A S H 3< S+ 0 0 58 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.562 122.6 21.4 -56.6 -13.3 -8.8 35.4 -24.1 157 163 A K H << S+ 0 0 63 -3,-2.1 -1,-0.3 -4,-0.6 -2,-0.2 0.254 133.7 32.9-142.2 13.3 -5.8 37.2 -25.5 158 164 A Y H << S+ 0 0 8 -3,-1.1 -130,-0.3 -4,-0.9 -129,-0.2 0.326 117.1 28.4-147.6 -4.4 -5.9 40.8 -24.2 159 165 A G S < S- 0 0 10 -4,-2.4 2,-0.2 -5,-0.4 -133,-0.2 -0.235 84.0 -70.3-132.6-139.2 -7.4 40.5 -20.7 160 166 A I S S- 0 0 13 -135,-0.4 -1,-0.1 -134,-0.2 -2,-0.1 -0.633 84.3 -6.6-120.6 177.3 -8.0 38.3 -17.7 161 167 A G S S- 0 0 16 -2,-0.2 2,-0.3 247,-0.1 -2,-0.1 0.097 99.6 -58.6 33.9-137.3 -10.0 35.1 -17.0 162 168 A S > - 0 0 30 1,-0.2 4,-2.2 242,-0.1 5,-0.2 -0.965 26.5-125.9-140.2 157.6 -12.2 34.2 -19.9 163 169 A G H >> S+ 0 0 0 -2,-0.3 4,-2.5 -11,-0.3 3,-0.5 0.992 110.4 40.4 -60.0 -76.7 -15.0 35.5 -22.1 164 170 A I H 3> S+ 0 0 42 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.890 118.2 47.1 -33.1 -76.3 -17.5 32.7 -21.6 165 171 A G H 3> S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.834 117.0 45.6 -36.8 -47.1 -16.7 32.3 -17.9 166 172 A L H S+ 0 0 33 -4,-1.8 4,-2.9 -5,-0.3 5,-0.5 0.983 111.1 46.0 -76.3 -65.7 -29.2 38.9 -9.0 177 183 A F H X5S+ 0 0 47 -4,-2.3 4,-1.4 1,-0.2 5,-0.4 0.826 122.7 39.2 -48.1 -32.2 -28.5 42.6 -8.3 178 184 A V H X5S+ 0 0 29 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.958 114.2 51.2 -81.7 -54.5 -31.4 43.5 -10.6 179 185 A G H <5S+ 0 0 20 -4,-1.7 7,-2.1 -5,-0.4 -2,-0.2 0.869 122.9 31.5 -49.1 -42.9 -33.8 40.7 -9.7 180 186 A A H <5S+ 0 0 9 -4,-2.9 7,-3.1 5,-0.3 8,-0.5 0.856 138.8 14.4 -87.5 -37.2 -33.4 41.5 -6.0 181 187 A L H << S- 0 0 4 -4,-2.6 3,-1.0 -5,-0.4 6,-0.1 0.515 92.0 -61.8 -57.8-155.6 -33.7 46.6 -9.3 183 189 A P T 3 S+ 0 0 75 0, 0.0 2,-1.2 0, 0.0 5,-0.1 0.958 140.4 24.1 -55.5 -87.7 -36.8 48.4 -10.6 184 190 A E T 3 S+ 0 0 156 4,-0.1 -2,-0.1 5,-0.0 5,-0.0 0.071 102.9 171.0 -67.6 30.8 -39.4 45.7 -10.0 185 191 A G <> - 0 0 1 -2,-1.2 4,-2.2 -3,-1.0 -5,-0.3 -0.041 38.2-137.3 -48.4 145.9 -36.9 44.4 -7.5 186 192 A Y H > S+ 0 0 44 -7,-2.1 4,-1.5 2,-0.2 5,-0.2 0.847 99.8 58.1 -74.5 -41.3 -37.8 41.6 -5.1 187 193 A L H > S+ 0 0 56 -7,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.820 113.5 43.3 -60.2 -29.2 -36.3 43.0 -1.8 188 194 A W H >>S+ 0 0 128 -8,-0.5 4,-3.8 2,-0.2 5,-0.6 0.960 106.5 58.3 -75.8 -60.2 -38.6 46.0 -2.4 189 195 A K H X5S+ 0 0 77 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.758 116.1 40.1 -41.9 -26.5 -41.6 43.9 -3.4 190 196 A F H X5S+ 0 0 39 -4,-1.5 4,-2.2 13,-0.3 10,-0.3 0.907 114.9 46.6 -90.6 -53.6 -41.2 42.3 0.0 191 197 A L H X5S+ 0 0 70 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.918 117.6 46.2 -53.7 -44.1 -40.3 45.4 2.1 192 198 A N H >X5S+ 0 0 79 -4,-3.8 4,-2.9 1,-0.2 3,-0.5 0.971 107.0 56.6 -61.6 -52.2 -43.2 47.2 0.5 193 199 A S H 3XXS+ 0 0 11 -4,-0.9 5,-1.8 -5,-0.6 4,-0.6 0.860 108.0 51.4 -45.8 -36.6 -45.4 44.1 1.0 194 200 A L H 3<5S+ 0 0 76 -4,-2.2 -1,-0.3 2,-0.2 3,-0.2 0.884 110.0 45.6 -69.2 -43.1 -44.4 44.6 4.7 195 201 A I H <<5S+ 0 0 142 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.984 106.2 59.3 -62.9 -55.1 -45.4 48.3 4.8 196 202 A Q H <5S- 0 0 128 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.744 115.7-123.3 -44.0 -24.6 -48.7 47.4 3.0 197 203 A G T <5S+ 0 0 51 -4,-0.6 -3,-0.2 -5,-0.4 -1,-0.2 0.546 85.1 103.9 91.0 8.9 -49.2 45.2 6.0 198 204 A V < - 0 0 99 -5,-1.8 -4,-0.2 2,-0.0 -3,-0.1 -0.351 66.2-147.8-120.5 54.8 -49.7 41.9 4.2 199 205 A P - 0 0 85 0, 0.0 2,-0.8 0, 0.0 -5,-0.1 0.182 11.0-160.2 -23.3 103.2 -46.3 40.2 4.7 200 206 A N >> - 0 0 46 -10,-0.3 3,-1.5 -11,-0.2 4,-0.5 -0.850 12.5-170.9-100.5 106.7 -45.7 38.1 1.6 201 207 A I H >> S+ 0 0 130 -2,-0.8 4,-1.8 1,-0.3 3,-0.6 0.777 82.6 69.3 -64.0 -26.4 -43.1 35.4 2.3 202 208 A E H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 -12,-0.1 0.501 93.8 56.4 -70.5 -6.4 -43.1 34.6 -1.5 203 209 A Y H <4 S+ 0 0 80 -3,-1.5 -13,-0.3 2,-0.1 -1,-0.2 0.684 115.5 34.0 -97.5 -23.2 -41.4 37.9 -2.3 204 210 A I H X S+ 0 0 33 -4,-1.8 4,-2.0 1,-0.2 3,-1.3 0.954 87.6 45.1 -47.0 -72.3 -38.4 33.6 -0.7 206 212 A P H 3> S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 186,-0.8 0.796 108.9 58.6 -44.9 -34.8 -36.3 33.6 -3.8 207 213 A I H 3> S+ 0 0 32 -3,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.904 109.4 43.6 -63.2 -41.6 -33.8 36.0 -2.2 208 214 A I H X S+ 0 0 90 -4,-2.2 3,-2.5 -5,-0.3 4,-0.9 0.932 112.0 43.2 -39.8 -63.4 -18.6 25.4 0.9 220 226 A A H 3< S+ 0 0 7 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.839 106.2 62.8 -52.4 -36.2 -18.2 22.8 -1.8 221 227 A E H 3< S+ 0 0 7 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.687 100.0 56.7 -66.3 -15.6 -16.0 25.1 -3.8 222 228 A C H << S+ 0 0 1 -3,-2.5 -1,-0.2 -4,-1.2 -2,-0.2 0.860 79.9 104.2 -84.8 -35.3 -13.6 25.0 -0.9 223 229 A M < - 0 0 28 -4,-0.9 23,-0.5 -3,-0.5 22,-0.4 -0.083 51.3-179.3 -47.4 141.1 -13.1 21.2 -0.7 224 230 A R - 0 0 29 229,-0.4 229,-2.2 20,-0.2 2,-0.8 -0.976 33.6-124.9-146.1 158.5 -9.8 20.1 -2.2 225 231 A V E -CD 243 452C 6 18,-1.8 18,-1.1 -2,-0.3 2,-0.5 -0.889 29.8-155.8-107.5 99.9 -7.7 17.0 -2.8 226 232 A E E -C 242 0C 56 -2,-0.8 15,-0.2 225,-0.6 -2,-0.0 -0.666 7.4-168.1 -82.0 125.4 -4.4 17.5 -1.2 227 233 A I - 0 0 44 14,-3.8 14,-0.2 -2,-0.5 13,-0.2 -0.933 19.2-134.0-117.2 102.0 -1.6 15.4 -2.7 228 234 A P - 0 0 37 0, 0.0 123,-2.0 0, 0.0 2,-0.3 -0.244 23.1-140.5 -57.1 140.6 1.6 15.4 -0.5 229 235 A L B -E 350 0D 19 121,-0.3 9,-0.7 122,-0.2 2,-0.3 -0.825 9.0-116.2-113.8 148.2 4.9 16.0 -2.5 230 236 A A B -F 237 0E 11 119,-3.2 121,-0.1 -2,-0.3 7,-0.1 -0.584 47.7 -92.0 -78.5 135.2 8.4 14.5 -2.3 231 237 A H - 0 0 54 5,-0.5 2,-2.2 -2,-0.3 118,-0.3 -0.032 37.9-109.6 -41.7 141.9 11.1 16.9 -1.3 232 238 A G S S- 0 0 21 1,-0.2 -1,-0.2 116,-0.1 116,-0.2 -0.511 86.8 -50.8 -81.0 73.7 12.8 18.6 -4.3 233 239 A R S S+ 0 0 185 -2,-2.2 -1,-0.2 114,-0.5 -2,-0.1 -0.071 126.5 100.7 84.4 -29.8 16.1 16.6 -3.8 234 240 A I S S- 0 0 122 -4,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.474 75.2-106.4 -61.0-149.0 16.0 17.7 -0.1 235 241 A K + 0 0 184 2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.958 63.3 27.0-155.4 132.3 14.7 15.4 2.7 236 242 A G S S- 0 0 40 -2,-0.3 -5,-0.5 -5,-0.1 2,-0.1 -0.550 95.5 -22.5 114.1 179.2 11.6 15.1 4.9 237 243 A A B S+F 230 0E 93 -2,-0.2 -7,-0.1 1,-0.1 -2,-0.1 -0.441 72.4 144.6 -65.5 134.1 7.9 16.1 4.7 238 244 A V + 0 0 74 -9,-0.7 -8,-0.1 1,-0.3 -1,-0.1 0.070 37.0 31.9-134.0-115.9 7.3 18.8 2.2 239 245 A G - 0 0 22 -10,-0.2 -1,-0.3 -11,-0.1 -8,-0.1 0.347 34.7-175.0 -44.3 178.8 4.6 19.7 -0.3 240 246 A K - 0 0 120 -12,-0.3 -13,-0.3 -13,-0.2 -1,-0.1 0.146 23.2-163.7-167.0 16.6 0.8 19.0 0.1 241 247 A Y - 0 0 112 -15,-0.2 -14,-3.8 -14,-0.2 2,-0.4 0.391 5.6-147.9 -13.5 120.1 -0.4 20.2 -3.3 242 248 A P E -C 226 0C 63 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.821 6.7-156.4-108.8 146.1 -4.2 20.8 -3.5 243 249 A I E -C 225 0C 36 -18,-1.1 2,-1.9 -2,-0.4 -18,-1.8 -0.909 30.6-110.8-115.8 142.7 -6.5 20.3 -6.5 244 250 A K > - 0 0 58 -2,-0.4 4,-1.2 1,-0.2 -20,-0.2 -0.503 31.5-168.6 -73.6 83.6 -9.8 22.1 -7.0 245 251 A F T 4 S+ 0 0 0 -2,-1.9 4,-0.4 -22,-0.4 -1,-0.2 0.765 84.9 35.1 -45.4 -33.3 -12.0 19.0 -6.6 246 252 A V T >4 S+ 0 0 12 -23,-0.5 3,-1.0 -26,-0.2 -1,-0.2 0.903 110.5 56.2 -89.9 -48.6 -15.0 21.0 -7.9 247 253 A Y G >4 S+ 0 0 74 1,-0.2 3,-1.0 -26,-0.2 4,-0.3 0.550 92.3 78.2 -62.9 -5.3 -13.6 23.4 -10.5 248 254 A V G 3< S+ 0 0 26 -4,-1.2 -1,-0.2 1,-0.3 2,-0.2 0.977 100.7 36.9 -66.8 -52.0 -12.2 20.2 -12.2 249 255 A S G <> S+ 0 0 1 -3,-1.0 4,-2.0 -4,-0.4 -1,-0.3 -0.129 89.0 110.5 -92.5 38.7 -15.7 19.5 -13.6 250 256 A N H <> S+ 0 0 5 -3,-1.0 4,-2.0 2,-0.2 3,-0.4 0.950 81.3 36.0 -71.6 -85.2 -16.6 23.1 -14.3 251 257 A I H > S+ 0 0 48 -4,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.801 117.4 62.4 -37.3 -35.7 -16.6 23.4 -18.1 252 258 A P H >> S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 4,-1.5 0.992 104.0 40.2 -58.3 -65.5 -18.0 19.9 -17.9 253 259 A V H 3X S+ 0 0 3 -4,-2.0 4,-2.0 -3,-0.4 5,-0.4 0.807 109.2 62.6 -54.5 -29.9 -21.2 20.7 -16.0 254 260 A I H 3X S+ 0 0 17 -4,-2.0 4,-0.9 1,-0.2 -1,-0.3 0.885 105.9 47.7 -61.0 -36.6 -21.5 23.8 -18.2 255 261 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 3,-1.2 0.998 113.4 41.4 -66.8 -67.4 -24.4 19.1 -19.3 257 263 A A H 3X S+ 0 0 31 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.828 114.1 58.5 -49.3 -29.5 -26.8 21.8 -18.3 258 264 A A H 3X S+ 0 0 14 -4,-0.9 4,-1.8 -5,-0.4 3,-0.3 0.899 101.5 53.1 -67.5 -40.4 -26.1 23.1 -21.8 259 265 A L H X S+ 0 0 15 -4,-1.9 4,-2.0 -5,-0.3 3,-1.0 0.837 119.2 51.5 -67.6 -35.3 -40.3 22.9 -28.6 269 275 A A H 3< S+ 0 0 2 -4,-2.3 2,-1.4 1,-0.3 -2,-0.2 0.990 112.4 43.9 -64.1 -59.3 -38.6 23.9 -31.9 270 276 A L T 3< S+ 0 0 49 -4,-1.6 7,-0.7 1,-0.2 8,-0.3 -0.180 114.2 57.1 -80.4 45.2 -39.3 20.5 -33.4 271 277 A Y T X4 S+ 0 0 63 -2,-1.4 3,-1.2 -3,-1.0 -2,-0.2 0.452 106.2 38.7-133.7 -63.9 -42.8 20.6 -32.0 272 278 A R T 3< S+ 0 0 115 -4,-2.0 -2,-0.1 1,-0.3 -3,-0.1 -0.002 126.1 45.2 -84.0 31.2 -44.4 23.8 -33.3 273 279 A M T 3 S- 0 0 114 -150,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.023 128.5 -28.6-160.7 33.8 -42.6 22.9 -36.6 274 280 A G S < S- 0 0 50 -3,-1.2 -3,-0.1 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