==== 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 BINDING 04-JAN-02 1KQ6 . COMPND 2 MOLECULE: NEUTROPHIL CYTOSOL FACTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WAHL,H.DELBRUECK,H.OSCHKINAT,U.HEINEMANN . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 68.6 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 . 25 17.9 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 . 1 0.7 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 . 14 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 2 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 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 . 0 0 0 1 0 1 0 0 0 1 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 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 2 A G 0 0 92 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -56.2 19.0 23.2 -3.8 2 3 A D - 0 0 142 0, 0.0 2,-0.5 0, 0.0 30,-0.0 -0.529 360.0 -7.8-171.8-125.4 16.2 24.1 -6.3 3 4 A T S S+ 0 0 75 -2,-0.1 2,-0.3 106,-0.1 111,-0.1 -0.911 84.2 137.6 -89.8 126.9 12.6 24.8 -5.6 4 5 A F - 0 0 26 -2,-0.5 28,-2.0 110,-0.1 2,-0.4 -0.973 53.1 -96.9-163.6 168.2 11.8 24.1 -2.0 5 6 A I E -A 31 0A 5 103,-0.3 26,-0.3 -2,-0.3 3,-0.1 -0.778 23.1-175.8 -95.8 133.1 10.0 25.5 1.1 6 7 A R E S+ 0 0 126 24,-3.1 2,-0.3 -2,-0.4 25,-0.2 0.749 70.1 5.1 -91.0 -34.2 11.9 27.5 3.7 7 8 A H E -A 30 0A 96 23,-1.4 23,-2.7 2,-0.0 2,-0.4 -0.990 50.9-161.7-154.9 142.9 9.1 28.0 6.3 8 9 A I E -A 29 0A 3 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.981 17.8-177.6-128.7 117.2 5.5 26.9 7.0 9 10 A A E -A 28 0A 27 19,-2.5 19,-3.0 -2,-0.4 2,-0.6 -0.927 24.8-133.7-113.1 139.6 3.5 29.0 9.4 10 11 A L E -A 27 0A 20 -2,-0.4 17,-0.2 17,-0.2 3,-0.1 -0.838 22.4-178.6 -86.0 122.0 -0.0 28.3 10.6 11 12 A L E - 0 0 51 15,-3.1 129,-1.6 -2,-0.6 2,-0.3 0.634 51.0 -83.0 -94.8 -17.2 -1.9 31.6 10.4 12 13 A G E -AB 26 139A 0 14,-0.9 14,-2.7 127,-0.2 -1,-0.3 -0.993 50.7 -85.2 148.1-151.6 -5.3 30.5 11.8 13 14 A F E -AB 25 138A 33 125,-2.0 125,-2.9 -2,-0.3 2,-0.4 -0.946 22.4-136.1-149.5 167.5 -8.3 28.8 10.2 14 15 A E E -AB 24 137A 11 10,-2.8 10,-2.4 -2,-0.3 2,-0.7 -0.992 13.4-134.9-129.8 143.3 -11.5 29.6 8.2 15 16 A K E -AB 23 136A 38 121,-2.6 121,-2.2 -2,-0.4 2,-0.3 -0.898 31.0-162.9 -93.3 114.4 -15.0 28.3 8.6 16 17 A R E -A 22 0A 20 6,-3.2 6,-1.8 -2,-0.7 118,-0.1 -0.674 21.4-179.2 -96.4 152.2 -16.2 27.5 5.0 17 18 A F + 0 0 37 1,-0.3 4,-0.2 -2,-0.3 -1,-0.1 0.598 46.6 104.4-120.1 -22.7 -19.8 27.0 3.9 18 19 A V S S- 0 0 33 1,-0.2 -1,-0.3 109,-0.2 4,-0.1 -0.982 98.8 -1.9-120.8 124.2 -19.6 26.3 0.1 19 20 A P S S- 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.952 144.7 -16.5 -86.7 -14.2 -19.9 23.7 -1.0 20 21 A S S S- 0 0 79 2,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.924 76.2 -87.0-140.7 163.8 -20.3 22.4 2.5 21 22 A Q + 0 0 125 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.626 67.5 125.0 -76.6 123.5 -19.6 23.6 6.1 22 23 A H E -A 16 0A 27 -6,-1.8 -6,-3.2 -2,-0.5 2,-0.4 -0.975 54.2-104.6-165.5 164.0 -16.1 22.7 7.2 23 24 A Y E -A 15 0A 114 -2,-0.3 20,-0.4 -8,-0.2 2,-0.4 -0.782 24.7-167.8 -96.9 143.7 -12.9 24.2 8.6 24 25 A V E -A 14 0A 6 -10,-2.4 -10,-2.8 -2,-0.4 2,-0.3 -0.974 18.5-132.7-121.2 144.3 -9.7 24.8 6.6 25 26 A Y E -AC 13 41A 20 16,-2.8 16,-2.3 -2,-0.4 2,-0.5 -0.749 20.1-133.7 -92.7 141.2 -6.4 25.7 8.3 26 27 A X E -AC 12 40A 12 -14,-2.7 -15,-3.1 -2,-0.3 -14,-0.9 -0.893 23.0-171.8-103.5 123.7 -4.5 28.6 6.8 27 28 A F E -AC 10 39A 0 12,-3.0 12,-2.3 -2,-0.5 2,-0.6 -0.919 18.0-149.9-117.1 139.2 -0.8 28.2 6.1 28 29 A L E -AC 9 38A 45 -19,-3.0 -19,-2.5 -2,-0.4 2,-0.6 -0.937 20.9-163.3-103.1 118.8 1.8 30.8 5.0 29 30 A V E -AC 8 37A 0 8,-3.0 8,-2.6 -2,-0.6 2,-0.5 -0.927 6.7-157.6-109.7 119.5 4.4 29.0 2.9 30 31 A K E -AC 7 36A 50 -23,-2.7 -24,-3.1 -2,-0.6 -23,-1.4 -0.864 16.1-158.5 -94.9 121.2 7.8 30.7 2.3 31 32 A W E > -A 5 0A 13 4,-2.4 3,-2.4 -2,-0.5 -26,-0.2 -0.434 34.4 -97.1 -95.5 171.8 9.5 29.4 -0.9 32 33 A Q T 3 S+ 0 0 54 -28,-2.0 -27,-0.1 1,-0.3 -29,-0.1 0.792 125.0 57.6 -59.2 -30.5 13.2 29.4 -1.9 33 34 A D T 3 S- 0 0 94 -29,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.301 120.4-111.6 -82.8 7.6 12.5 32.5 -4.0 34 35 A L < + 0 0 107 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.436 68.8 145.9 75.3 4.4 11.2 34.3 -0.8 35 36 A S - 0 0 28 -5,-0.1 -4,-2.4 1,-0.0 2,-0.5 -0.460 39.8-147.4 -67.3 148.4 7.6 34.4 -2.0 36 37 A E E -C 30 0A 96 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.988 20.3-175.6-119.1 117.0 5.1 33.9 0.8 37 38 A K E -C 29 0A 81 -8,-2.6 -8,-3.0 -2,-0.5 2,-0.5 -0.921 20.0-135.9-120.6 140.4 1.9 32.1 -0.4 38 39 A V E +C 28 0A 51 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.833 27.6 173.2 -93.1 128.1 -1.3 31.4 1.5 39 40 A V E -C 27 0A 0 -12,-2.3 -12,-3.0 -2,-0.5 2,-0.4 -0.932 19.6-143.7-131.4 158.9 -2.8 27.9 1.1 40 41 A Y E +C 26 0A 33 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.972 19.6 173.6-124.8 131.2 -5.8 26.3 2.9 41 42 A R E -C 25 0A 1 -16,-2.3 -16,-2.8 -2,-0.4 2,-0.1 -0.998 27.3-127.6-139.2 136.1 -6.0 22.6 3.9 42 43 A R > - 0 0 107 -2,-0.4 4,-2.0 -18,-0.3 3,-0.4 -0.446 31.2-113.3 -73.3 154.5 -8.6 20.7 5.9 43 44 A F H > S+ 0 0 9 -20,-0.4 4,-2.9 1,-0.2 5,-0.2 0.900 115.9 55.4 -55.4 -43.1 -7.3 18.7 8.9 44 45 A T H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 106.9 50.8 -62.6 -35.3 -8.2 15.3 7.3 45 46 A E H > S+ 0 0 45 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.908 111.2 48.2 -66.4 -39.9 -6.1 16.2 4.2 46 47 A I H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.922 112.0 49.7 -63.1 -43.5 -3.2 17.1 6.4 47 48 A Y H X S+ 0 0 34 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.895 111.3 48.2 -62.6 -41.8 -3.6 13.8 8.3 48 49 A E H X S+ 0 0 104 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.929 110.8 51.4 -65.6 -41.3 -3.8 11.8 5.0 49 50 A F H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.935 108.0 53.4 -56.8 -48.2 -0.6 13.6 3.8 50 51 A H H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.929 107.7 49.6 -51.8 -48.4 1.0 12.7 7.1 51 52 A K H X S+ 0 0 110 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.900 109.6 52.1 -59.8 -40.4 0.2 9.0 6.6 52 53 A T H X S+ 0 0 56 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.867 109.3 50.0 -65.0 -34.2 1.6 9.2 3.1 53 54 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.912 109.2 50.5 -69.7 -42.6 4.9 10.7 4.4 54 55 A K H < S+ 0 0 61 -4,-2.5 7,-0.3 1,-0.2 -1,-0.2 0.899 108.6 53.1 -61.1 -39.1 5.2 8.0 7.1 55 56 A E H < S+ 0 0 159 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 109.0 49.8 -64.4 -32.8 4.7 5.3 4.4 56 57 A X H < S+ 0 0 90 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.822 119.3 35.0 -72.0 -32.8 7.5 6.9 2.3 57 58 A F X + 0 0 31 -4,-1.6 4,-1.7 1,-0.1 -1,-0.2 -0.626 64.5 166.7-127.0 69.2 10.1 7.0 5.1 58 59 A P T 4>S+ 0 0 56 0, 0.0 5,-2.3 0, 0.0 6,-0.7 0.800 75.9 57.0 -60.5 -28.9 9.6 4.0 7.3 59 60 A I T >45S+ 0 0 93 1,-0.2 3,-1.8 2,-0.2 6,-0.3 0.984 112.8 38.5 -65.3 -53.5 12.9 4.5 9.1 60 61 A E T 345S+ 0 0 22 1,-0.3 10,-2.5 9,-0.2 11,-2.3 0.685 111.7 60.5 -70.7 -14.8 12.1 8.1 10.3 61 62 A A T 3<5S- 0 0 13 -4,-1.7 -1,-0.3 -7,-0.3 -2,-0.2 0.550 113.1-120.5 -80.7 -9.8 8.5 7.0 10.9 62 63 A G T < 5S+ 0 0 13 -3,-1.8 -3,-0.2 -4,-0.4 7,-0.2 0.647 72.3 134.4 76.5 16.8 9.8 4.5 13.5 63 64 A A S - 0 0 50 -6,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.973 67.5-151.5-126.8 110.0 12.8 0.7 15.2 66 67 A P G > S+ 0 0 98 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.830 94.2 63.2 -60.9 -29.2 10.4 3.1 17.1 67 68 A E G 3 S+ 0 0 148 1,-0.3 -5,-0.0 -5,-0.1 0, 0.0 0.732 95.5 62.6 -68.3 -12.0 13.3 4.9 18.9 68 69 A N G < S+ 0 0 78 -3,-2.5 -1,-0.3 -9,-0.1 -6,-0.2 0.416 76.0 125.2 -88.7 3.2 14.4 6.0 15.4 69 70 A R < + 0 0 61 -3,-1.9 -8,-0.2 -4,-0.2 -9,-0.2 -0.478 17.2 151.7 -69.1 130.3 11.3 8.0 14.9 70 71 A I + 0 0 80 -10,-2.5 -1,-0.2 -2,-0.2 -9,-0.2 0.395 39.3 106.4-128.7 -13.1 11.7 11.7 14.0 71 72 A I S S- 0 0 2 -11,-2.3 29,-0.0 -14,-0.1 25,-0.0 -0.526 80.6-109.8 -64.2 130.6 8.6 12.4 11.9 72 73 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.172 31.3-107.4 -63.4 158.9 6.4 14.5 14.2 73 74 A H - 0 0 134 -3,-0.1 23,-0.0 19,-0.0 -23,-0.0 -0.527 27.1-169.4 -84.6 151.3 3.2 13.1 15.7 74 75 A L - 0 0 12 -2,-0.2 19,-0.0 -27,-0.0 2,-0.0 -0.904 22.2-129.5-139.2 112.6 -0.3 14.0 14.6 75 76 A P - 0 0 73 0, 0.0 3,-0.1 0, 0.0 -28,-0.0 -0.343 36.9-103.5 -56.3 136.7 -3.3 12.9 16.6 76 77 A A - 0 0 44 1,-0.2 2,-2.3 -29,-0.0 -32,-0.1 -0.119 52.3 -73.5 -52.7 153.5 -6.0 11.3 14.5 77 78 A P + 0 0 54 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.531 62.4 170.0 -54.2 85.1 -9.1 13.2 13.6 78 79 A K - 0 0 152 -2,-2.3 2,-1.1 -3,-0.1 0, 0.0 -0.934 31.4-142.1 -64.3 108.4 -10.7 13.0 16.9 79 80 A W + 0 0 102 -2,-0.5 2,-0.5 0, 0.0 -3,-0.0 -0.807 34.7 174.2 -84.1 100.6 -13.5 15.5 16.4 80 81 A F - 0 0 50 -2,-1.1 -2,-0.0 1,-0.2 6,-0.0 -0.954 20.7-153.1-127.2 122.1 -13.3 17.0 19.9 81 82 A D + 0 0 151 -2,-0.5 5,-0.4 4,-0.1 -1,-0.2 0.893 59.6 71.2 -58.0-108.6 -15.3 19.9 21.1 82 83 A G S >> S- 0 0 54 1,-0.2 4,-1.6 3,-0.1 3,-0.8 0.532 85.9-108.6 -10.4 144.1 -14.1 22.2 23.8 83 84 A Q H 3> S+ 0 0 53 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.509 111.8 76.6 -81.4 6.9 -11.3 24.5 23.0 84 85 A R H 3> S+ 0 0 126 2,-0.2 4,-2.5 3,-0.2 -1,-0.3 0.978 106.5 38.3 -61.6 -48.7 -8.8 22.6 25.1 85 86 A A H <> S+ 0 0 29 -3,-0.8 4,-1.9 1,-0.2 -2,-0.2 0.886 117.2 51.1 -60.8 -42.5 -8.9 20.2 22.2 86 87 A A H X S+ 0 0 47 -4,-1.6 4,-2.1 -5,-0.4 5,-0.3 0.888 110.4 48.1 -63.4 -38.6 -9.1 23.1 19.8 87 88 A E H X S+ 0 0 112 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.883 111.8 51.5 -67.7 -35.3 -6.1 24.8 21.4 88 89 A N H X S+ 0 0 66 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.870 109.6 50.6 -63.6 -37.0 -4.4 21.4 21.1 89 90 A R H X S+ 0 0 63 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.903 114.2 39.1 -71.9 -51.6 -5.3 21.2 17.3 90 91 A Q H X S+ 0 0 28 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.951 121.2 48.5 -63.4 -42.7 -4.0 24.6 16.1 91 92 A G H X S+ 0 0 36 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.889 112.2 46.9 -61.0 -41.6 -1.1 24.1 18.5 92 93 A T H X S+ 0 0 44 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.898 113.4 48.4 -73.8 -34.8 -0.4 20.6 17.3 93 94 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.891 112.0 50.3 -68.5 -37.5 -0.6 21.6 13.6 94 95 A T H X S+ 0 0 57 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.955 113.6 44.6 -59.5 -50.7 1.7 24.6 14.3 95 96 A E H X S+ 0 0 129 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.904 111.9 54.5 -60.7 -39.3 4.2 22.3 16.0 96 97 A Y H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.943 109.9 44.3 -61.1 -49.9 3.9 19.7 13.2 97 98 A C H X S+ 0 0 2 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.886 113.8 50.1 -69.2 -38.0 4.7 22.2 10.4 98 99 A S H < S+ 0 0 59 -4,-2.3 4,-0.5 -5,-0.2 3,-0.2 0.925 111.5 49.3 -64.6 -40.6 7.6 23.7 12.3 99 100 A T H >X S+ 0 0 42 -4,-2.4 3,-1.5 -5,-0.2 4,-0.6 0.896 102.7 61.3 -69.1 -35.2 9.0 20.3 13.0 100 101 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.904 100.5 54.8 -52.7 -41.6 8.7 19.2 9.3 101 102 A X T 3< S+ 0 0 40 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.617 104.5 54.5 -76.9 -8.7 11.1 22.0 8.3 102 103 A S T <4 S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.464 86.0 106.2 -93.5 -4.1 13.7 20.7 10.8 103 104 A L S << S- 0 0 12 -3,-1.4 5,-0.1 -4,-0.6 -32,-0.0 -0.274 91.1 -77.4 -68.6 161.1 13.7 17.2 9.3 104 105 A P >> - 0 0 59 0, 0.0 4,-2.6 0, 0.0 3,-2.4 -0.244 49.8-109.7 -52.4 145.9 16.6 16.0 7.2 105 106 A T H 3> S+ 0 0 84 1,-0.3 4,-2.2 2,-0.2 -2,-0.1 0.741 113.8 72.9 -63.0 -20.6 16.3 17.5 3.7 106 107 A K H 34 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.815 116.8 23.2 -61.0 -26.6 15.4 14.1 2.1 107 108 A I H X4 S+ 0 0 0 -3,-2.4 3,-1.7 2,-0.1 -2,-0.2 0.808 122.7 52.1-100.3 -46.2 12.1 14.6 3.9 108 109 A S H 3< S+ 0 0 7 -4,-2.6 -103,-0.3 1,-0.3 -3,-0.2 0.780 123.2 32.2 -68.0 -22.6 11.7 18.4 4.4 109 110 A R T 3< S+ 0 0 100 -4,-2.2 -1,-0.3 -5,-0.3 -3,-0.1 0.130 85.8 137.5-112.7 18.4 12.5 19.0 0.7 110 111 A C X> - 0 0 6 -3,-1.7 4,-2.4 1,-0.2 3,-0.8 -0.390 61.2-126.1 -67.9 138.2 10.9 15.9 -0.7 111 112 A P H 3> S+ 0 0 90 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.855 108.7 60.7 -51.2 -34.7 8.8 16.6 -3.9 112 113 A H H 3> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -59,-0.1 0.909 108.7 42.9 -61.4 -42.4 5.8 14.9 -2.4 113 114 A L H <> S+ 0 0 0 -3,-0.8 4,-1.5 -6,-0.2 -1,-0.2 0.912 113.2 51.3 -66.0 -46.6 5.8 17.5 0.5 114 115 A L H X S+ 0 0 14 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.931 109.9 51.3 -55.9 -44.1 6.5 20.4 -1.8 115 116 A D H >< S+ 0 0 87 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.876 103.8 57.5 -66.0 -35.3 3.6 19.3 -4.0 116 117 A F H 3< S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.892 110.8 42.8 -60.9 -38.2 1.2 19.1 -1.0 117 118 A F H 3< S+ 0 0 5 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.453 87.3 114.0 -92.9 -0.7 1.8 22.8 -0.1 118 119 A K S << S- 0 0 94 -3,-0.9 2,-0.1 -4,-0.7 -3,-0.0 -0.415 81.4 -88.4 -67.7 146.1 1.7 24.2 -3.7 119 120 A V - 0 0 49 -2,-0.1 -1,-0.1 -80,-0.1 -80,-0.1 -0.307 41.6-153.0 -59.9 130.1 -1.2 26.6 -4.4 120 121 A R >> - 0 0 86 -80,-0.1 3,-1.3 -3,-0.1 4,-1.1 -0.609 32.2-102.8 -92.2 161.4 -4.4 24.9 -5.7 121 122 A P H >> S+ 0 0 104 0, 0.0 4,-2.4 0, 0.0 3,-0.8 0.898 125.3 50.2 -51.2 -40.7 -7.0 26.7 -7.9 122 123 A D H 34 S+ 0 0 90 1,-0.3 -3,-0.0 2,-0.2 -83,-0.0 0.625 100.2 63.4 -83.0 -7.4 -9.2 27.1 -4.9 123 124 A D H <4 S+ 0 0 15 -3,-1.3 -1,-0.3 1,-0.1 3,-0.2 0.762 115.0 34.3 -71.9 -26.5 -6.3 28.6 -2.9 124 125 A L H << S+ 0 0 137 -4,-1.1 2,-0.5 -3,-0.8 -2,-0.2 0.766 131.2 28.9 -92.9 -36.8 -6.3 31.4 -5.5 125 126 A K S < S- 0 0 67 -4,-2.4 -1,-0.3 -5,-0.2 3,-0.1 -0.864 82.4-148.5-128.8 97.3 -10.0 31.7 -6.2 126 127 A L - 0 0 55 -2,-0.5 -3,-0.1 -3,-0.2 -4,-0.1 -0.524 27.7-104.0 -71.1 138.2 -12.1 30.7 -3.3 127 128 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 -109,-0.2 -0.315 46.0-178.9 -57.2 130.7 -15.5 29.0 -4.1 128 129 A T - 0 0 114 6,-0.1 2,-0.4 -111,-0.1 5,-0.1 -0.934 19.8-158.7-129.1 159.5 -18.4 31.4 -3.6 129 130 A D > - 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