==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-SEP-01 1K0F . COMPND 2 MOLECULE: PERIPLASMIC ZINC-BINDING PROTEIN TROA; . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA PALLIDUM; . AUTHOR Y.H.LEE,M.R.DORWART,K.R.HAZLETT,R.K.DEKA,M.V.NORGARD, . 277 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 2 0.7 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 . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 2 0 2 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 2 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 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 . 2 1 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 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 32 A G 0 0 127 0, 0.0 24,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.7 101.6 -41.3 1.1 2 33 A K - 0 0 100 1,-0.1 22,-0.2 20,-0.1 21,-0.0 -0.244 360.0 -97.3 -59.3 143.7 98.5 -40.3 3.0 3 34 A P - 0 0 22 0, 0.0 22,-2.5 0, 0.0 2,-0.7 -0.235 32.6-114.2 -63.9 146.0 97.4 -42.5 6.0 4 35 A L E -a 25 0A 26 47,-0.3 49,-3.8 20,-0.2 50,-2.0 -0.739 29.6-172.2 -89.0 113.8 94.8 -45.2 5.8 5 36 A V E -ab 26 54A 0 20,-3.1 22,-1.6 -2,-0.7 2,-0.4 -0.861 4.9-167.2-102.1 138.0 91.6 -44.5 7.8 6 37 A V E +ab 27 55A 0 48,-3.5 50,-3.2 -2,-0.4 2,-0.3 -0.979 7.4 179.3-132.3 123.6 89.2 -47.4 8.0 7 38 A T E -ab 28 56A 1 20,-2.1 22,-3.4 -2,-0.4 23,-0.2 -0.792 21.1-148.2-120.4 163.4 85.6 -47.0 9.2 8 39 A T E S+ 0 0 1 48,-1.4 22,-2.7 -2,-0.3 -1,-0.2 0.842 77.7 37.7 -91.3 -92.4 82.7 -49.3 9.6 9 40 A I E >> S-a 30 0A 1 20,-0.2 4,-1.3 1,-0.1 3,-1.2 -0.344 82.7-120.6 -64.7 143.2 79.3 -47.6 9.2 10 41 A G H 3> S+ 0 0 9 20,-0.6 4,-2.4 1,-0.3 250,-0.2 0.765 105.8 73.5 -55.2 -28.0 79.1 -45.0 6.4 11 42 A M H 3> S+ 0 0 0 237,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.887 100.6 42.4 -54.9 -43.6 78.0 -42.4 8.9 12 43 A I H <> S+ 0 0 0 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.938 110.5 56.8 -67.8 -47.2 81.6 -42.2 10.3 13 44 A A H X S+ 0 0 4 -4,-1.3 4,-3.1 1,-0.3 -2,-0.2 0.847 105.2 53.5 -52.3 -37.0 83.0 -42.3 6.8 14 45 A D H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.952 107.5 48.4 -65.6 -47.4 81.0 -39.3 6.1 15 46 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 5,-0.2 0.884 113.6 49.4 -59.2 -37.2 82.4 -37.4 9.1 16 47 A V H X>S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-1.2 0.981 108.6 51.5 -64.3 -57.2 85.8 -38.5 7.9 17 48 A K H X5S+ 0 0 90 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.888 112.7 45.3 -44.4 -52.0 85.3 -37.3 4.3 18 49 A N H <5S+ 0 0 39 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.875 124.7 33.3 -63.4 -40.4 84.2 -33.9 5.4 19 50 A I H <5S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.960 131.4 26.5 -81.7 -63.0 87.0 -33.5 7.9 20 51 A A H ><5S+ 0 0 0 -4,-2.8 3,-2.4 -5,-0.2 -3,-0.2 0.836 83.4 170.0 -72.1 -33.0 90.0 -35.3 6.5 21 52 A Q G >< - 0 0 28 -2,-0.6 3,-1.6 1,-0.2 221,-0.1 -0.215 40.7 -38.1 -99.1-170.8 78.2 -49.5 2.6 32 63 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 219,-0.1 0.001 128.2 18.4 -43.4 152.5 74.6 -48.9 1.5 33 64 A G T 3 S+ 0 0 47 217,-0.5 2,-0.6 1,-0.2 -2,-0.1 0.668 96.8 136.7 56.0 17.4 72.2 -51.7 2.4 34 65 A V < - 0 0 29 -3,-1.6 -1,-0.2 216,-0.2 185,-0.1 -0.862 46.7-151.2-105.0 118.7 74.7 -52.9 5.0 35 66 A D - 0 0 19 -2,-0.6 3,-0.1 184,-0.2 -4,-0.1 -0.740 2.9-163.3 -87.5 109.5 73.6 -54.0 8.5 36 67 A P S > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 29,-0.4 0.815 83.4 66.6 -59.8 -34.0 76.5 -53.4 10.9 37 68 A H T 3 S+ 0 0 3 1,-0.3 28,-1.1 27,-0.1 152,-0.0 0.972 113.4 27.5 -51.0 -64.7 74.9 -55.6 13.5 38 69 A L T 3 S+ 0 0 79 26,-0.1 2,-0.4 -3,-0.1 -1,-0.3 -0.063 97.9 124.5 -92.7 33.8 75.3 -58.8 11.5 39 70 A Y < - 0 0 39 -3,-1.4 2,-0.4 -5,-0.1 26,-0.2 -0.793 39.6-167.6 -99.8 137.7 78.4 -57.6 9.6 40 71 A T - 0 0 97 -2,-0.4 2,-0.9 26,-0.0 5,-0.1 -0.950 30.1-112.7-121.6 141.7 81.7 -59.5 9.5 41 72 A A - 0 0 13 -2,-0.4 5,-0.1 24,-0.3 -12,-0.0 -0.638 39.4-146.7 -76.0 108.1 85.0 -58.2 8.2 42 73 A T > - 0 0 84 -2,-0.9 4,-2.6 3,-0.1 5,-0.3 0.109 35.2 -81.8 -61.6-175.1 85.6 -60.3 5.2 43 74 A A H > S+ 0 0 89 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.952 133.9 41.6 -56.7 -52.9 89.2 -61.3 4.1 44 75 A G H >> S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 3,-1.2 0.966 113.6 54.3 -59.5 -53.1 89.8 -58.0 2.4 45 76 A D H 3> S+ 0 0 10 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.924 107.1 47.4 -45.5 -63.7 88.2 -56.0 5.2 46 77 A V H 3X S+ 0 0 59 -4,-2.6 4,-1.4 1,-0.2 -1,-0.3 0.707 116.2 50.4 -53.9 -19.6 90.3 -57.5 8.0 47 78 A E H X S+ 0 0 111 -4,-2.9 3,-1.3 1,-0.2 4,-1.0 0.961 116.1 48.9 -49.7 -49.8 92.4 -53.1 4.9 49 80 A L H >< S+ 0 0 1 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.938 101.8 62.7 -53.2 -50.8 92.0 -52.9 8.6 50 81 A G H 3< S+ 0 0 24 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.782 113.3 34.3 -46.5 -32.8 95.3 -54.7 9.0 51 82 A N H << S+ 0 0 100 -4,-1.6 -47,-0.3 -3,-1.3 -1,-0.3 0.473 90.7 120.7-103.4 -5.1 97.0 -51.7 7.2 52 83 A A << - 0 0 3 -3,-1.6 -47,-0.2 -4,-1.0 3,-0.2 -0.244 47.5-161.1 -60.9 146.3 94.8 -48.9 8.6 53 84 A D S S+ 0 0 70 -49,-3.8 25,-1.2 1,-0.3 2,-0.4 0.623 86.5 29.5 -97.5 -21.9 96.5 -46.2 10.5 54 85 A L E -bc 5 78A 0 -50,-2.0 -48,-3.5 23,-0.1 2,-0.5 -0.956 68.9-166.1-143.1 119.0 93.2 -45.2 12.0 55 86 A I E -bc 6 79A 1 23,-3.4 25,-2.6 -2,-0.4 2,-0.4 -0.921 11.1-168.2-108.3 129.2 90.2 -47.5 12.6 56 87 A L E +bc 7 80A 0 -50,-3.2 -48,-1.4 -2,-0.5 2,-0.3 -0.962 15.4 152.7-122.7 131.6 86.9 -45.9 13.3 57 88 A Y E - c 0 81A 27 23,-2.5 25,-1.7 -2,-0.4 26,-0.3 -0.974 46.7-109.2-150.7 160.3 83.7 -47.5 14.6 58 89 A N - 0 0 0 -2,-0.3 25,-1.6 23,-0.2 26,-1.0 0.976 36.9-165.1 -51.6 -72.8 80.6 -46.6 16.6 59 90 A G > + 0 0 3 24,-0.2 3,-2.8 23,-0.1 4,-0.3 -0.863 56.0 105.7 108.5-146.5 81.0 -48.4 19.9 60 91 A L T 3 S- 0 0 2 -2,-0.4 39,-0.2 1,-0.3 4,-0.1 0.821 116.6 -77.2 41.8 32.9 77.9 -48.6 22.0 61 92 A H T > S+ 0 0 103 2,-0.1 3,-0.6 1,-0.1 -1,-0.3 0.827 97.7 135.4 49.0 37.8 77.9 -52.3 20.9 62 93 A L T < + 0 0 0 -3,-2.8 2,-2.0 1,-0.2 3,-0.2 0.985 67.8 46.9 -74.9 -62.2 76.6 -51.4 17.5 63 94 A E T > S+ 0 0 8 -4,-0.3 3,-1.2 1,-0.2 4,-0.3 -0.175 77.1 173.2 -75.1 44.9 78.9 -53.5 15.4 64 95 A T G X + 0 0 33 -2,-2.0 3,-0.8 -3,-0.6 2,-0.3 0.665 68.2 55.6 -21.0 -51.0 78.3 -56.4 17.7 65 96 A K G 3 S+ 0 0 104 -28,-1.1 -24,-0.3 -29,-0.4 -1,-0.3 -0.064 96.7 63.9 -86.6 36.1 80.2 -58.9 15.5 66 97 A M G <> + 0 0 1 -3,-1.2 4,-2.6 -2,-0.3 -1,-0.2 0.439 63.3 103.7-133.5 -5.2 83.6 -57.1 15.4 67 98 A G H <> S+ 0 0 43 -3,-0.8 4,-2.7 -4,-0.3 5,-0.4 0.888 84.7 46.9 -45.0 -55.2 84.8 -57.0 19.0 68 99 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.974 113.7 47.8 -52.9 -60.4 87.4 -59.8 18.5 69 100 A V H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.833 120.5 39.0 -50.9 -39.3 88.7 -58.2 15.3 70 101 A F H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.984 111.9 50.4 -77.5 -65.5 88.9 -54.8 16.9 71 102 A S H < S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.811 117.0 49.5 -42.3 -30.0 90.1 -55.6 20.5 72 103 A K H < S+ 0 0 121 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.960 112.6 40.9 -75.6 -54.3 92.8 -57.5 18.6 73 104 A L H >X S+ 0 0 29 -4,-1.9 3,-0.8 -5,-0.2 4,-0.7 0.615 98.2 99.7 -70.9 -12.6 93.9 -54.9 16.1 74 105 A R B 3< S+d 77 0B 102 -4,-2.6 4,-0.1 1,-0.2 2,-0.1 -0.290 77.2 31.8 -68.9 160.5 93.7 -52.3 18.9 75 106 A G T 34 S+ 0 0 85 2,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.073 111.5 67.3 80.7 -29.0 97.0 -51.3 20.5 76 107 A S T <4 S+ 0 0 95 -3,-0.8 2,-0.3 -4,-0.2 -2,-0.2 0.677 118.1 0.5 -92.7 -23.1 98.8 -51.9 17.2 77 108 A R B < S-d 74 0B 65 -4,-0.7 -2,-0.8 -22,-0.0 2,-0.6 -0.863 98.8 -62.6-150.2-178.0 97.1 -48.9 15.7 78 109 A L E +c 54 0A 63 -25,-1.2 -23,-3.4 -2,-0.3 2,-0.4 -0.658 53.0 174.4 -78.7 119.6 94.6 -46.2 16.3 79 110 A V E +c 55 0A 10 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.975 2.4 174.0-130.8 117.7 91.2 -47.8 17.2 80 111 A V E -c 56 0A 35 -25,-2.6 -23,-2.5 -2,-0.4 2,-1.3 -0.979 31.1-155.7-134.5 127.3 88.3 -45.6 18.3 81 112 A A E > -c 57 0A 13 -2,-0.4 3,-1.1 -25,-0.2 -23,-0.2 -0.809 25.3-163.6 -94.3 89.2 84.7 -46.3 19.0 82 113 A V G > S+ 0 0 0 -25,-1.7 3,-0.8 -2,-1.3 -1,-0.2 0.824 78.3 49.7 -44.0 -48.8 83.7 -42.7 18.3 83 114 A S G > S+ 0 0 0 -25,-1.6 3,-1.9 -26,-0.3 -1,-0.2 0.720 88.0 78.3 -72.3 -21.3 80.3 -42.8 19.9 84 115 A E G < S+ 0 0 83 -3,-1.1 -1,-0.3 -26,-1.0 4,-0.2 0.357 78.5 78.9 -69.7 12.5 81.3 -44.3 23.2 85 116 A T G < + 0 0 67 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.1 0.226 67.4 110.5 -99.1 10.9 82.5 -40.8 23.9 86 117 A I S < S- 0 0 0 -3,-1.9 5,-0.2 1,-0.1 23,-0.0 -0.782 89.9-104.9 -87.6 117.6 78.9 -40.0 24.7 87 118 A P >> - 0 0 55 0, 0.0 3,-3.4 0, 0.0 4,-0.5 -0.218 32.2-126.3 -43.7 106.7 78.5 -39.3 28.4 88 119 A V G >4 S+ 0 0 74 1,-0.3 3,-1.7 2,-0.2 -2,-0.0 0.744 107.2 75.2 -27.3 -37.2 76.8 -42.6 29.3 89 120 A S G 34 S+ 0 0 97 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.873 96.2 45.0 -44.5 -49.0 74.2 -40.4 30.8 90 121 A Q G <4 S+ 0 0 65 -3,-3.4 2,-0.6 2,-0.1 -1,-0.3 0.549 90.3 98.6 -77.8 -10.1 72.9 -39.5 27.4 91 122 A R S << S- 0 0 30 -3,-1.7 9,-0.0 -4,-0.5 -7,-0.0 -0.707 74.5-130.1 -84.7 119.5 72.9 -43.0 26.0 92 123 A L - 0 0 44 -2,-0.6 8,-1.3 8,-0.2 2,-0.2 -0.295 25.0-146.2 -62.0 149.5 69.4 -44.6 26.1 93 124 A S E -E 99 0C 55 6,-0.3 2,-0.4 4,-0.0 6,-0.3 -0.696 5.7-137.6-113.6 171.0 69.5 -48.0 27.6 94 125 A L E >> S-E 98 0C 45 4,-2.1 4,-2.8 -2,-0.2 3,-1.5 -0.965 87.1 -23.9-132.3 111.7 67.4 -51.1 26.9 95 126 A E T 34 S- 0 0 166 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.821 109.2 -82.6 55.7 25.3 66.2 -53.1 29.9 96 127 A E T 34 S+ 0 0 165 2,-0.2 -1,-0.3 1,-0.2 3,-0.0 0.316 130.2 86.6 63.3 -13.4 69.2 -51.4 31.5 97 128 A A T <4 S+ 0 0 84 -3,-1.5 2,-0.2 -4,-0.0 -2,-0.2 0.871 85.6 48.4 -82.7 -39.7 71.2 -54.2 29.9 98 129 A E E < -E 94 0C 66 -4,-2.8 -4,-2.1 2,-0.0 2,-0.5 -0.604 67.1-143.0-104.1 163.2 71.7 -52.6 26.5 99 130 A F E -E 93 0C 71 -6,-0.3 -6,-0.3 -2,-0.2 -7,-0.1 -0.919 30.2-121.1-126.9 101.4 72.8 -49.2 25.3 100 131 A D - 0 0 8 -8,-1.3 -8,-0.2 -2,-0.5 3,-0.1 -0.174 26.1-166.9 -43.6 111.4 71.0 -48.0 22.2 101 132 A P + 0 0 6 0, 0.0 2,-1.4 0, 0.0 3,-0.4 0.484 62.3 96.4 -84.7 -3.6 73.9 -47.5 19.7 102 133 A H > + 0 0 0 1,-0.2 3,-0.9 2,-0.1 71,-0.2 -0.238 39.3 136.4 -84.9 50.4 71.8 -45.5 17.1 103 134 A V G > + 0 0 0 -2,-1.4 3,-2.1 1,-0.3 6,-0.2 0.630 50.9 81.7 -71.0 -16.5 73.0 -42.2 18.4 104 135 A W G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.377 81.9 69.0 -71.8 8.1 73.6 -40.8 14.9 105 136 A F G < S+ 0 0 3 -3,-0.9 2,-0.6 1,-0.2 -1,-0.3 0.398 86.7 66.0-104.5 -1.1 69.9 -40.2 14.9 106 137 A D S X> S- 0 0 19 -3,-2.1 3,-1.7 1,-0.1 4,-1.3 -0.854 74.0-165.3-117.4 86.0 70.2 -37.4 17.5 107 138 A V H 3> S+ 0 0 1 -2,-0.6 4,-0.7 1,-0.3 3,-0.2 0.798 86.7 52.5 -40.5 -40.9 72.1 -34.9 15.4 108 139 A K H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.808 113.1 42.4 -70.1 -31.9 73.0 -33.0 18.5 109 140 A L H <> S+ 0 0 1 -3,-1.7 4,-0.6 -6,-0.2 3,-0.3 0.503 106.1 64.2 -91.8 -6.5 74.4 -36.0 20.3 110 141 A W H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 5,-0.3 0.651 81.5 78.1 -87.9 -18.3 76.1 -37.2 17.2 111 142 A S H X S+ 0 0 23 -4,-0.7 4,-2.2 -5,-0.3 -1,-0.2 0.793 90.6 58.8 -58.6 -26.2 78.3 -34.1 17.3 112 143 A Y H > S+ 0 0 70 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.991 107.5 41.5 -64.7 -61.9 80.1 -36.1 20.0 113 144 A S H X S+ 0 0 0 -4,-0.6 4,-2.2 1,-0.3 -2,-0.2 0.813 116.2 50.1 -56.5 -33.1 80.9 -39.0 17.7 114 145 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.3 0.898 108.4 53.4 -72.0 -38.1 81.8 -36.6 14.9 115 146 A K H X S+ 0 0 88 -4,-2.2 4,-3.0 -5,-0.3 -2,-0.2 0.912 108.3 50.9 -58.2 -43.7 84.0 -34.8 17.5 116 147 A A H X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.918 110.1 48.6 -59.6 -48.1 85.6 -38.2 18.1 117 148 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 3,-0.3 0.958 113.3 47.2 -57.4 -52.6 86.2 -38.7 14.4 118 149 A Y H X S+ 0 0 32 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.934 114.2 45.9 -54.3 -52.8 87.7 -35.2 14.0 119 150 A E H X S+ 0 0 91 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.731 111.3 53.3 -65.8 -24.1 90.0 -35.6 17.1 120 151 A S H X S+ 0 0 11 -4,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.911 108.1 50.0 -75.1 -44.3 91.0 -39.0 15.9 121 152 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.887 110.8 49.9 -59.9 -40.0 92.0 -37.7 12.5 122 153 A C H < S+ 0 0 11 -4,-2.0 6,-0.2 2,-0.2 -1,-0.2 0.926 109.9 49.9 -64.8 -45.4 94.0 -34.9 14.2 123 154 A K H < S+ 0 0 157 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.874 114.3 46.6 -59.5 -38.2 95.7 -37.5 16.4 124 155 A L H < S+ 0 0 27 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.931 129.4 22.6 -70.1 -46.8 96.5 -39.4 13.2 125 156 A L >< + 0 0 36 -4,-3.3 3,-2.1 -5,-0.2 -1,-0.3 -0.700 68.3 174.2-126.1 80.4 97.7 -36.3 11.3 126 157 A P G > S+ 0 0 92 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.844 80.8 58.4 -50.5 -43.9 98.8 -33.7 13.9 127 158 A G G 3 S+ 0 0 70 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.666 100.2 59.5 -65.3 -15.1 100.1 -31.4 11.1 128 159 A K G <> S+ 0 0 70 -3,-2.1 4,-2.3 -6,-0.2 -1,-0.3 0.224 71.1 109.7 -98.6 15.5 96.6 -31.4 9.7 129 160 A T H <> S+ 0 0 62 -3,-1.8 4,-1.2 2,-0.2 5,-0.2 0.867 74.9 51.1 -57.4 -44.2 95.0 -30.0 12.8 130 161 A R H > S+ 0 0 198 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.952 118.0 35.8 -61.3 -52.7 94.2 -26.5 11.3 131 162 A E H > S+ 0 0 62 1,-0.2 4,-1.4 -4,-0.2 5,-0.2 0.792 118.8 51.4 -73.1 -27.9 92.5 -27.8 8.2 132 163 A F H X S+ 0 0 0 -4,-2.3 4,-0.7 3,-0.2 -1,-0.2 0.671 113.2 48.3 -80.7 -16.5 90.9 -30.7 10.0 133 164 A T H X S+ 0 0 30 -4,-1.2 4,-2.9 -5,-0.2 -2,-0.2 0.932 113.0 41.3 -86.3 -57.2 89.6 -28.2 12.6 134 165 A Q H X S+ 0 0 118 -4,-2.5 4,-2.7 2,-0.2 -3,-0.2 0.955 117.7 48.0 -57.5 -50.3 88.1 -25.6 10.5 135 166 A R H X S+ 0 0 47 -4,-1.4 4,-2.8 -5,-0.3 5,-0.3 0.954 110.6 55.2 -52.4 -50.2 86.5 -28.2 8.1 136 167 A Y H X S+ 0 0 35 -4,-0.7 4,-2.2 -5,-0.2 -2,-0.2 0.944 106.1 48.3 -46.2 -62.0 85.3 -29.9 11.2 137 168 A Q H X S+ 0 0 101 -4,-2.9 4,-2.6 2,-0.2 3,-0.4 0.918 112.2 51.2 -46.1 -50.6 83.6 -26.8 12.5 138 169 A A H >X S+ 0 0 41 -4,-2.7 4,-1.6 1,-0.3 3,-1.4 0.976 108.7 49.1 -49.2 -70.8 82.0 -26.4 9.1 139 170 A Y H 3X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.3 -1,-0.3 0.741 110.7 52.6 -41.0 -31.2 80.8 -30.1 9.1 140 171 A Q H 3X S+ 0 0 24 -4,-2.2 4,-3.2 -3,-0.4 -1,-0.3 0.918 102.9 56.4 -73.9 -41.7 79.4 -29.5 12.6 141 172 A Q H X S+ 0 0 51 -4,-2.9 4,-3.3 -5,-0.3 3,-0.7 0.971 111.7 47.8 -60.3 -54.9 67.4 -28.0 13.6 149 180 A Y H 3X S+ 0 0 58 -4,-3.4 4,-3.6 1,-0.3 5,-0.3 0.905 109.6 52.2 -52.1 -50.8 65.7 -29.1 10.3 150 181 A V H 3X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.3 0.769 113.9 44.7 -61.1 -27.4 64.8 -32.5 11.6 151 182 A R H X S+ 0 0 57 -4,-3.6 3,-1.4 1,-0.3 4,-0.5 0.900 111.0 50.3 -42.9 -57.1 60.3 -30.9 10.2 154 185 A A H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.902 106.3 57.8 -51.6 -41.4 59.2 -33.2 12.9 155 186 A Q H 3< S+ 0 0 117 -4,-3.0 -1,-0.3 -3,-0.5 -2,-0.2 0.785 92.5 68.2 -59.9 -29.2 57.2 -30.2 14.3 156 187 A S H << S+ 0 0 73 -3,-1.4 -1,-0.3 -4,-1.3 -2,-0.2 0.693 89.8 77.7 -65.2 -16.2 55.4 -30.0 11.0 157 188 A L S << S- 0 0 0 -3,-2.1 5,-0.2 -4,-0.5 -1,-0.1 -0.846 92.9-117.5-102.0 112.7 53.8 -33.3 12.0 158 189 A P >> - 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