==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 14-AUG-08 2ZQP . COMPND 2 MOLECULE: PREPROTEIN TRANSLOCASE SECY SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.TSUKAZAKI,O.NUREKI . 459 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.0 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 . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 6 2 1 2 1 1 1 1 2 0 1 0 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 . 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 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 1 Y M 0 0 21 0, 0.0 4,-0.5 0, 0.0 434,-0.2 0.000 360.0 360.0 360.0 31.3 -50.3 18.8 37.2 2 2 Y V + 0 0 23 432,-0.2 4,-0.5 2,-0.1 433,-0.1 0.862 360.0 32.3 -97.7 -41.9 -51.8 22.0 35.8 3 3 Y K S > S+ 0 0 143 2,-0.1 4,-1.2 3,-0.1 5,-0.1 0.740 122.4 51.1 -83.9 -26.7 -52.4 24.3 38.9 4 4 Y A H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.889 101.4 57.5 -77.9 -44.6 -49.4 22.9 40.7 5 5 Y F H > S+ 0 0 62 -4,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.817 107.9 52.8 -52.9 -33.3 -46.9 23.4 37.8 6 6 Y W H 4 S+ 0 0 117 -4,-0.5 3,-0.3 2,-0.2 4,-0.3 0.915 112.0 41.3 -67.0 -48.0 -48.0 27.0 38.1 7 7 Y S H < S+ 0 0 65 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.586 109.1 61.1 -78.5 -10.6 -47.2 27.1 41.8 8 8 Y A H >< S+ 0 0 17 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.703 100.6 54.1 -79.5 -26.7 -44.0 25.1 41.0 9 9 Y L T 3< S+ 0 0 85 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.609 93.6 72.3 -75.7 -15.5 -43.1 28.1 38.9 10 10 Y Q T 3 S+ 0 0 149 -4,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.175 79.2 88.4 -84.7 16.4 -43.7 30.1 42.1 11 11 Y I S X> S- 0 0 72 -3,-0.7 4,-3.4 1,-0.0 2,-1.2 -0.901 74.9-146.3-119.9 99.3 -40.4 28.5 43.5 12 12 Y P T 34 S+ 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.145 95.8 43.4 -61.8 18.5 -37.4 30.8 42.5 13 13 Y E T 3> S+ 0 0 119 -2,-1.2 4,-1.9 3,-0.1 5,-0.1 0.517 119.0 40.7-117.5 -42.1 -35.0 27.9 42.1 14 14 Y L H <> S+ 0 0 18 -3,-0.8 4,-0.9 2,-0.2 -5,-0.1 0.921 120.8 46.5 -65.2 -45.6 -37.3 25.5 40.2 15 15 Y R H >< S+ 0 0 133 -4,-3.4 3,-0.8 -7,-0.2 4,-0.4 0.936 109.9 55.0 -55.6 -52.6 -38.6 28.5 38.2 16 16 Y Q H >> S+ 0 0 120 -5,-0.3 3,-2.1 1,-0.2 4,-1.1 0.906 102.5 54.3 -50.6 -53.6 -35.0 29.7 37.6 17 17 Y R H 3X S+ 0 0 82 -4,-1.9 4,-1.2 1,-0.3 163,-0.9 0.767 97.0 64.3 -61.3 -29.7 -33.7 26.6 36.0 18 18 Y V H S+ 0 0 97 -3,-2.1 4,-2.1 -4,-0.4 3,-1.0 0.912 99.7 55.5 -87.7 -52.0 -35.1 29.6 31.9 20 20 Y F H 3X S+ 0 0 77 -4,-1.1 4,-1.6 1,-0.3 -2,-0.2 0.838 105.9 58.9 -49.6 -31.1 -31.4 28.6 31.4 21 21 Y T H 3X S+ 0 0 5 -4,-1.2 4,-3.4 1,-0.2 -1,-0.3 0.925 103.2 49.2 -59.7 -46.6 -33.0 25.8 29.4 22 22 Y L H < S+ 0 0 75 -4,-2.5 3,-2.3 -5,-0.3 4,-0.4 0.964 103.5 47.8 -67.2 -57.2 -30.7 28.9 16.4 31 31 Y G H >< S+ 0 0 0 -4,-2.8 42,-0.9 1,-0.3 3,-0.8 0.736 99.2 75.1 -54.6 -20.8 -28.2 26.1 15.6 32 32 Y A T 3< S+ 0 0 1 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.342 97.3 44.9 -73.8 8.5 -31.3 24.6 14.0 33 33 Y F T < S+ 0 0 90 -3,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.489 80.1 116.9-124.2 -8.6 -30.9 27.2 11.1 34 34 Y I < - 0 0 64 -3,-0.8 38,-1.0 -4,-0.4 40,-0.2 -0.580 47.2-155.3 -87.8 106.7 -27.2 27.1 10.2 35 35 Y P - 0 0 53 0, 0.0 35,-0.1 0, 0.0 37,-0.1 0.330 29.7 -86.7 -54.6-171.1 -26.2 25.9 6.7 36 36 Y T > - 0 0 5 3,-0.4 3,-0.7 33,-0.2 5,-0.3 -0.957 30.2-124.9-111.3 126.8 -22.9 24.3 5.5 37 37 Y P T 3 S+ 0 0 71 0, 0.0 120,-0.1 0, 0.0 3,-0.1 0.321 110.7 22.6 -49.9 4.6 -20.1 26.7 4.4 38 38 Y G T 3 S+ 0 0 0 -2,-0.2 106,-2.2 1,-0.1 2,-0.6 0.426 97.3 97.7-148.6 -21.1 -20.0 24.8 1.1 39 39 Y V B < S-A 143 0A 3 -3,-0.7 2,-2.4 104,-0.2 -3,-0.4 -0.706 80.1-123.5 -76.0 121.2 -23.3 23.1 0.6 40 40 Y D > - 0 0 23 102,-1.0 3,-7.1 -2,-0.6 4,-0.3 -0.582 29.0-163.8 -53.4 84.8 -25.6 25.2 -1.7 41 41 Y L G >> S+ 0 0 32 -2,-2.4 3,-2.1 1,-0.4 4,-0.9 0.954 94.7 63.1 -40.9 -43.2 -27.8 24.9 1.4 42 42 Y D G 34 S+ 0 0 136 1,-0.3 -1,-0.4 -3,-0.2 -2,-0.1 0.551 105.5 39.5 -56.8 -14.4 -29.8 25.9 -1.5 43 43 Y K G <4 S+ 0 0 114 -3,-7.1 -1,-0.3 99,-0.6 -2,-0.2 0.096 104.2 69.4-126.2 29.1 -29.0 22.6 -3.3 44 44 Y I T X> S+ 0 0 2 -3,-2.1 4,-0.8 -4,-0.3 3,-0.6 0.851 83.6 59.3-102.7 -53.1 -29.2 20.1 -0.3 45 45 Y Q H >X S+ 0 0 53 -4,-0.9 3,-5.7 1,-0.2 2,-0.7 0.930 93.3 46.4 -48.5 -99.8 -32.9 19.7 1.0 46 46 Y E H 34 S+ 0 0 145 1,-0.3 -1,-0.2 2,-0.3 7,-0.1 0.430 106.5 62.4 -44.2 -1.9 -35.6 18.4 -1.4 47 47 Y F H <4 S+ 0 0 29 -2,-0.7 3,-0.5 -3,-0.6 -1,-0.3 0.823 111.9 38.2 -74.2 -42.4 -33.3 15.7 -2.6 48 48 Y L H << S+ 0 0 10 -3,-5.7 -2,-0.3 -4,-0.8 -3,-0.1 0.506 108.6 69.0 -74.9 -7.5 -33.7 14.8 1.0 49 49 Y R S < S+ 0 0 141 -4,-0.7 2,-0.3 19,-0.1 -1,-0.2 -0.224 91.3 84.6-100.0 42.4 -37.4 15.9 0.5 50 50 Y T S >> S- 0 0 29 -3,-0.5 4,-5.3 -5,-0.2 2,-1.1 -0.905 96.1-100.6-143.3 159.4 -38.1 12.9 -1.7 51 51 Y A T 34 S+ 0 0 73 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 0.026 129.6 44.3 -70.5 35.0 -39.1 9.2 -1.6 52 52 Y Q T 34 S+ 0 0 96 -2,-1.1 -1,-0.2 -5,-0.3 -4,-0.1 0.359 130.5 19.6-155.1 -31.0 -35.4 8.8 -2.2 53 53 Y G T X4 S+ 0 0 0 -3,-0.8 3,-1.3 -6,-0.2 -2,-0.2 0.374 113.2 72.4-122.2 -16.0 -33.9 11.3 0.2 54 54 Y G G >< S+ 0 0 14 -4,-5.3 3,-0.9 1,-0.3 -3,-0.2 0.462 79.2 76.9 -75.8 -4.0 -37.1 11.4 2.3 55 55 Y V G > S+ 0 0 9 -5,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.748 83.4 63.4 -67.5 -27.7 -35.9 8.0 3.3 56 56 Y F G X> S+ 0 0 2 -3,-1.3 4,-1.6 -6,-0.2 3,-1.2 0.461 76.5 117.7 -63.7 -2.0 -33.7 10.4 5.3 57 57 Y G H <> + 0 0 3 -3,-0.9 4,-0.9 1,-0.3 -1,-0.2 0.687 67.2 48.8 -41.4 -32.7 -37.1 11.1 6.7 58 58 Y I H <> S+ 0 0 28 -3,-0.7 4,-1.6 2,-0.2 -1,-0.3 0.860 106.9 52.6 -82.0 -36.7 -36.3 9.9 10.2 59 59 Y I H <> S+ 0 0 0 -3,-1.2 4,-1.8 1,-0.2 5,-0.3 0.893 105.2 54.9 -69.1 -41.7 -33.0 11.9 10.7 60 60 Y N H X>S+ 0 0 16 -4,-1.6 5,-2.5 3,-0.2 4,-2.5 0.948 109.4 50.8 -50.4 -51.8 -34.6 15.2 9.7 61 61 Y L H <5S+ 0 0 0 -4,-0.9 3,-0.2 3,-0.2 -2,-0.2 0.954 112.2 38.4 -53.4 -70.0 -37.2 14.7 12.4 62 62 Y F H <5S+ 0 0 28 -4,-1.6 129,-0.2 1,-0.3 -1,-0.2 0.838 117.9 50.7 -59.3 -38.3 -35.2 13.9 15.5 63 63 Y S H <5S- 0 0 1 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.904 124.6-105.3 -63.9 -42.4 -32.5 16.4 14.7 64 64 Y G T <5 - 0 0 1 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.752 62.4 -55.3 119.8 49.8 -35.2 19.0 14.2 65 65 Y G S > + 0 0 2 -6,-0.5 5,-3.6 1,-0.2 8,-0.2 0.661 61.6 59.2 -62.6 -25.1 -32.1 20.4 10.7 67 67 Y F T 45S+ 0 0 0 -7,-0.3 -1,-0.2 3,-0.3 7,-0.1 0.879 100.2 53.0 -75.5 -42.3 -31.1 17.6 8.3 68 68 Y E T 45S+ 0 0 27 -3,-0.4 -20,-0.2 1,-0.3 -2,-0.2 0.959 117.8 36.6 -60.6 -55.5 -33.0 18.6 5.3 69 69 Y R T <5S- 0 0 45 -4,-1.1 -1,-0.3 -25,-0.1 -33,-0.2 0.601 113.9-128.2 -66.4 -13.2 -31.5 22.1 5.3 70 70 Y F T 5 - 0 0 6 -5,-0.2 -3,-0.3 -4,-0.1 4,-0.1 0.873 42.1-179.0 61.9 45.2 -28.3 20.3 6.4 71 71 Y S > < - 0 0 0 -5,-3.6 3,-2.3 -39,-0.1 4,-0.3 0.041 48.5 -96.1 -63.9 174.3 -27.8 22.5 9.4 72 72 Y I T 3 S+ 0 0 22 -38,-1.0 3,-0.2 -41,-0.5 96,-0.2 0.752 136.5 50.3 -66.2 -20.9 -25.0 22.2 11.9 73 73 Y F T 3 S+ 0 0 0 -42,-0.9 -1,-0.3 -39,-0.2 -7,-0.2 0.129 80.0 121.2 -92.7 17.3 -27.6 20.3 13.9 74 74 Y A S < S+ 0 0 0 -3,-2.3 -7,-0.2 1,-0.3 -11,-0.2 0.918 83.8 31.3 -45.7 -59.8 -28.2 18.3 10.6 75 75 Y L S > S- 0 0 3 1,-0.3 3,-0.9 -4,-0.3 2,-0.4 0.661 106.3-160.4 -71.5 -16.1 -27.4 14.9 12.2 76 76 Y G T 3 - 0 0 1 1,-0.2 -1,-0.3 -5,-0.1 92,-0.2 -0.591 53.9 -33.5 77.6-127.2 -28.8 16.5 15.4 77 77 Y I T 3 S+ 0 0 20 -2,-0.4 3,-0.4 -3,-0.1 -1,-0.2 -0.139 104.4 115.2-120.1 31.1 -27.8 14.8 18.6 78 78 Y M X> + 0 0 28 -3,-0.9 2,-4.3 1,-0.2 3,-3.4 0.995 51.4 69.2 -68.0 -69.5 -27.6 11.3 17.1 79 79 Y P T 34 S+ 0 0 0 0, 0.0 44,-0.4 0, 0.0 43,-0.3 0.052 97.8 55.7 -59.5 37.0 -24.0 10.0 17.2 80 80 Y Y T 34 S+ 0 0 48 -2,-4.3 -2,-0.1 -3,-0.4 39,-0.1 0.357 105.3 49.7-128.6 -14.8 -24.0 9.7 21.0 81 81 Y I T X4 S+ 0 0 56 -3,-3.4 3,-0.9 -4,-0.2 4,-0.2 0.685 102.2 57.2-101.3 -25.1 -27.1 7.4 21.3 82 82 Y T T 3< S+ 0 0 26 -4,-0.7 4,-0.5 1,-0.2 -1,-0.2 0.404 108.7 51.9 -80.8 -1.0 -26.1 4.8 18.8 83 83 Y A T 3 S+ 0 0 21 2,-0.1 -1,-0.2 3,-0.1 -2,-0.2 0.181 96.2 71.4-107.6 9.2 -23.1 4.6 21.1 84 84 Y A S < S+ 0 0 21 -3,-0.9 -2,-0.2 3,-0.1 4,-0.1 0.470 102.6 39.4-100.1 -9.1 -25.5 4.1 24.0 85 85 Y I S > S+ 0 0 33 -4,-0.2 4,-1.6 2,-0.2 5,-0.2 0.784 113.0 51.0-100.2 -49.0 -26.5 0.6 22.9 86 86 Y I H > S+ 0 0 104 -4,-0.5 4,-0.8 2,-0.2 -2,-0.1 0.803 118.3 43.7 -54.7 -30.4 -23.0 -0.7 21.8 87 87 Y M H 4 S+ 0 0 38 2,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.8 51.7 -81.2 -41.2 -22.0 0.6 25.3 88 88 Y Q H 4 S+ 0 0 53 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.674 113.7 47.4 -64.9 -14.9 -25.2 -0.9 26.8 89 89 Y I H X S+ 0 0 101 -4,-1.6 4,-0.8 2,-0.1 3,-0.3 0.731 110.3 50.2 -87.9 -30.6 -23.7 -3.9 25.0 90 90 Y L T < S+ 0 0 92 -4,-0.8 -2,-0.2 -5,-0.2 7,-0.2 0.167 102.1 69.1 -88.0 17.2 -20.3 -3.1 26.5 91 91 Y V T 4 S+ 0 0 41 -3,-0.1 7,-0.4 6,-0.1 5,-0.2 0.726 104.1 31.0-105.0 -30.6 -21.9 -2.9 30.0 92 92 Y T T 4 S+ 0 0 118 -4,-0.3 -2,-0.1 -3,-0.3 -3,-0.1 0.718 120.4 49.0-102.0 -28.6 -22.9 -6.6 30.7 93 93 Y V S < S+ 0 0 123 -4,-0.8 -3,-0.1 1,-0.2 -2,-0.1 0.678 111.1 56.2 -80.0 -20.7 -20.1 -8.4 28.8 94 94 Y V S > S- 0 0 52 -5,-0.1 2,-2.6 1,-0.0 3,-1.8 -0.801 81.9-166.3-107.6 84.8 -17.7 -6.0 30.6 95 95 Y P T 3 S+ 0 0 109 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.313 76.2 52.8 -80.4 61.8 -18.7 -6.8 34.2 96 96 Y A T 3> S+ 0 0 50 -2,-2.6 4,-2.0 -5,-0.2 5,-0.1 0.276 80.4 83.7-161.3 -16.5 -17.0 -3.9 35.9 97 97 Y L H <> S+ 0 0 38 -3,-1.8 4,-2.3 -6,-0.2 14,-0.1 0.818 100.3 42.7 -69.9 -31.7 -18.3 -0.8 33.9 98 98 Y E H > S+ 0 0 49 -7,-0.4 4,-4.1 -4,-0.4 5,-0.4 0.881 110.0 56.1 -73.1 -44.3 -21.3 -0.8 36.2 99 99 Y K H > S+ 0 0 141 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.822 114.1 41.6 -56.5 -33.3 -19.1 -1.5 39.2 100 100 Y L H < S+ 0 0 78 -4,-2.0 3,-0.3 2,-0.1 -2,-0.2 0.933 119.8 44.8 -71.1 -51.8 -17.4 1.7 38.0 101 101 Y S H < S+ 0 0 19 -4,-2.3 6,-0.4 1,-0.2 -2,-0.2 0.736 118.9 39.9 -64.8 -28.3 -20.7 3.3 37.3 102 102 Y K H < S+ 0 0 115 -4,-4.1 2,-1.7 5,-0.2 -1,-0.2 0.599 89.4 81.2-106.9 -16.2 -22.5 2.3 40.5 103 103 Y E S < S- 0 0 171 -4,-0.8 -1,-0.2 -5,-0.4 3,-0.1 -0.430 125.0 -33.9 -82.4 60.2 -19.9 2.7 43.3 104 104 Y G S > S- 0 0 45 -2,-1.7 3,-0.6 1,-0.1 -1,-0.3 0.012 76.5 -89.8 93.9 150.3 -20.8 6.4 43.2 105 105 Y E G > S+ 0 0 149 1,-0.3 3,-1.2 -3,-0.1 4,-0.3 0.581 113.7 81.8 -70.6 -10.3 -21.8 8.5 40.1 106 106 Y E G 3 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 -0.020 82.6 62.0 -87.6 28.8 -18.1 9.3 39.5 107 107 Y G G < S+ 0 0 8 -3,-0.6 -1,-0.2 -6,-0.4 -5,-0.2 0.134 99.3 53.3-130.1 11.2 -17.6 6.0 37.7 108 108 Y R S <> S+ 0 0 93 -3,-1.2 4,-3.1 -7,-0.2 -2,-0.2 0.304 92.3 74.1-120.6 -6.3 -20.1 6.7 35.0 109 109 Y R H > S+ 0 0 146 -4,-0.3 4,-3.6 2,-0.2 5,-0.2 0.958 97.5 47.3 -65.5 -57.2 -18.4 10.0 34.1 110 110 Y I H > S+ 0 0 90 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.932 113.9 49.4 -44.7 -52.6 -15.6 8.1 32.4 111 111 Y I H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.977 114.7 43.2 -49.6 -62.2 -18.4 6.1 30.7 112 112 Y N H X S+ 0 0 61 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.831 116.4 49.2 -53.0 -37.6 -20.1 9.4 29.7 113 113 Y Q H X S+ 0 0 63 -4,-3.6 4,-1.9 2,-0.2 -1,-0.2 0.841 112.4 43.7 -78.7 -37.6 -16.7 11.0 28.7 114 114 Y Y H X S+ 0 0 172 -4,-3.2 4,-2.0 -3,-0.2 5,-0.2 0.809 113.3 54.5 -71.9 -32.1 -15.5 8.1 26.5 115 115 Y T H X S+ 0 0 16 -4,-2.4 4,-1.3 -5,-0.4 -2,-0.2 0.777 109.5 49.9 -65.6 -28.0 -19.0 8.0 25.1 116 116 Y R H < S+ 0 0 73 -4,-0.8 -2,-0.2 -5,-0.2 4,-0.2 0.900 110.1 44.7 -81.4 -44.5 -18.5 11.7 24.3 117 117 Y I H >X S+ 0 0 107 -4,-1.9 4,-1.8 2,-0.2 3,-0.7 0.887 119.5 44.0 -69.5 -39.0 -15.2 11.5 22.5 118 118 Y G H 3X S+ 0 0 27 -4,-2.0 4,-3.6 2,-0.2 5,-0.3 0.893 108.5 59.6 -61.9 -41.5 -16.5 8.5 20.6 119 119 Y G H 3< S+ 0 0 0 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.525 108.4 44.1 -65.9 -8.7 -19.7 10.7 20.3 120 120 Y I H <4 S+ 0 0 47 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.684 114.3 49.8 -96.5 -35.2 -17.4 13.2 18.5 121 121 Y A H >X S+ 0 0 43 -4,-1.8 3,-1.4 2,-0.2 4,-0.5 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