==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN/DNA 11-APR-10 3MIP . COMPND 2 MOLECULE: MSO-8G; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR G.K.TAYLOR,B.L.STODDARD . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 75.8 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 . 42 13.0 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 . 2 0.6 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 . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 1 1 4 0 0 2 0 0 4 0 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 2 0 0 0 0 2 0 2 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 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 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 6 A T 0 0 176 0, 0.0 2,-0.4 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0-160.3 -1.9 -31.5 -9.4 2 7 A L - 0 0 21 4,-0.0 58,-0.0 2,-0.0 57,-0.0 -0.756 360.0-142.5-108.1 134.3 -3.5 -28.6 -7.6 3 8 A Q >> - 0 0 118 -2,-0.4 4,-2.8 1,-0.1 3,-1.2 -0.551 29.1-108.9 -91.6 154.7 -6.3 -28.6 -5.0 4 9 A P H 3> S+ 0 0 66 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.894 117.4 42.4 -46.2 -57.0 -9.1 -26.1 -4.7 5 10 A T H 3> S+ 0 0 36 1,-0.2 4,-0.8 2,-0.2 5,-0.0 0.545 114.4 52.0 -76.5 -10.6 -7.9 -24.3 -1.5 6 11 A E H <> S+ 0 0 62 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.788 112.7 44.8 -84.9 -38.0 -4.3 -24.4 -2.7 7 12 A A H X S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.904 114.3 50.9 -64.2 -42.4 -5.4 -22.8 -6.0 8 13 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.882 111.5 47.4 -62.2 -40.7 -7.5 -20.4 -4.0 9 14 A Y H X S+ 0 0 5 -4,-0.8 4,-3.6 2,-0.2 5,-0.3 0.960 111.7 48.3 -65.5 -53.0 -4.5 -19.5 -1.8 10 15 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.907 113.8 48.2 -55.9 -43.4 -2.1 -19.0 -4.6 11 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 86,-0.3 0.903 112.3 49.0 -61.9 -43.7 -4.7 -16.8 -6.3 12 17 A G H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.941 116.2 42.9 -61.1 -47.0 -5.2 -14.9 -3.0 13 18 A F H X S+ 0 0 3 -4,-3.6 4,-1.9 2,-0.2 5,-0.4 0.840 111.3 54.0 -67.9 -37.7 -1.5 -14.5 -2.7 14 19 A L H X S+ 0 0 0 -4,-3.1 4,-1.8 -5,-0.3 -2,-0.2 0.938 104.9 54.5 -63.4 -45.0 -1.0 -13.6 -6.4 15 20 A D H < S+ 0 0 1 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.761 119.5 38.2 -56.7 -24.3 -3.6 -10.9 -6.0 16 21 A G H < S+ 0 0 13 -4,-0.6 -2,-0.2 -3,-0.2 -3,-0.1 0.891 135.4 6.6 -89.5 -82.6 -1.4 -9.7 -3.2 17 22 A D H < S+ 0 0 38 -4,-1.9 27,-2.9 2,-0.0 -3,-0.2 0.162 113.6 84.3 -93.5 16.9 2.4 -10.0 -3.8 18 23 A G E < -A 43 0A 7 -4,-1.8 2,-0.3 -5,-0.4 25,-0.3 -0.554 58.0-146.5-116.3-179.2 2.2 -11.1 -7.4 19 24 A S E -A 42 0A 35 23,-2.1 23,-2.0 -2,-0.2 2,-0.6 -0.973 5.0-160.3-154.0 131.5 1.9 -9.6 -10.9 20 25 A I E +A 41 0A 0 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.944 33.1 156.3-115.2 111.7 0.2 -10.6 -14.2 21 26 A Y E -A 40 0A 46 19,-1.6 19,-1.7 -2,-0.6 2,-0.3 -0.885 33.9-151.6-133.8 162.1 1.7 -8.8 -17.3 22 27 A A E -A 39 0A 0 -2,-0.3 2,-0.3 108,-0.3 17,-0.2 -0.967 20.4-167.3-125.3 147.7 2.2 -8.8 -21.0 23 28 A R E -A 38 0A 84 15,-2.5 15,-2.9 -2,-0.3 2,-0.6 -0.951 22.6-141.2-130.6 154.3 5.1 -7.1 -22.7 24 29 A L E -A 37 0A 18 -2,-0.3 13,-0.2 13,-0.2 -2,-0.0 -0.894 28.9-166.8-111.5 97.7 6.1 -6.2 -26.3 25 30 A E E -A 36 0A 44 11,-2.1 11,-2.1 -2,-0.6 -2,-0.0 -0.728 18.8-122.0 -90.5 127.0 9.8 -6.8 -26.4 26 31 A P E -A 35 0A 87 0, 0.0 9,-0.3 0, 0.0 -1,-0.1 -0.304 23.2-161.3 -63.9 147.5 11.8 -5.5 -29.4 27 32 A R - 0 0 57 7,-3.5 3,-0.1 1,-0.1 -2,-0.0 -0.974 18.4-178.1-131.9 118.1 13.8 -7.9 -31.6 28 33 A P S S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.837 89.3 51.3 -77.7 -30.4 16.6 -6.9 -33.9 29 34 A D S S+ 0 0 118 5,-0.1 5,-0.0 0, 0.0 -2,-0.0 0.515 89.3 108.6 -85.1 -7.6 17.1 -10.4 -35.1 30 35 A Y - 0 0 74 -3,-0.1 4,-0.2 1,-0.1 6,-0.0 0.003 65.9-119.7 -70.8 174.7 13.4 -11.1 -36.0 31 36 A K S S- 0 0 83 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.723 77.5 -25.2 -81.2-117.4 11.8 -11.5 -39.4 32 37 A D S S+ 0 0 97 1,-0.2 2,-0.8 2,-0.0 86,-0.1 0.988 136.9 46.0 -62.8 -61.4 9.0 -9.2 -40.6 33 38 A I S S- 0 0 3 84,-0.2 2,-1.3 1,-0.1 -2,-0.4 -0.772 73.5-159.8 -91.8 107.9 7.7 -8.2 -37.2 34 39 A K + 0 0 95 -2,-0.8 -7,-3.5 -4,-0.2 2,-0.3 -0.186 62.6 84.6 -85.1 46.0 10.7 -7.4 -35.0 35 40 A Y E -A 26 0A 41 -2,-1.3 2,-0.5 -9,-0.3 -2,-0.1 -0.955 57.6-156.3-150.8 125.5 8.8 -7.9 -31.7 36 41 A Q E -A 25 0A 45 -11,-2.1 -11,-2.1 -2,-0.3 2,-0.4 -0.903 21.6-133.5-100.7 127.8 8.0 -10.9 -29.5 37 42 A V E -A 24 0A 5 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.2 -0.641 25.4-156.4 -74.2 129.2 5.0 -10.6 -27.2 38 43 A R E -A 23 0A 72 -15,-2.9 -15,-2.5 -2,-0.4 2,-0.4 -0.908 9.4-169.1-115.8 136.6 6.0 -11.8 -23.8 39 44 A L E +A 22 0A 15 -2,-0.4 42,-1.3 -17,-0.2 2,-0.3 -0.948 16.5 143.8-127.9 145.0 3.6 -13.2 -21.2 40 45 A A E -AB 21 80A 0 -19,-1.7 -19,-1.6 -2,-0.4 2,-0.4 -0.993 34.7-143.4-166.6 160.7 4.1 -14.0 -17.4 41 46 A I E -AB 20 79A 0 38,-1.0 38,-2.5 -2,-0.3 2,-0.3 -0.977 29.2-173.7-125.3 148.2 2.9 -14.2 -13.9 42 47 A S E -AB 19 78A 8 -23,-2.0 -23,-2.1 -2,-0.4 2,-0.4 -0.978 22.6-149.8-142.5 158.8 5.2 -13.5 -10.9 43 48 A F E -AB 18 77A 0 34,-1.3 34,-0.9 -2,-0.3 2,-0.3 -0.995 18.6-164.9-125.4 121.8 5.4 -13.6 -7.2 44 49 A I E + B 0 76A 50 -27,-2.9 2,-0.3 -2,-0.4 32,-0.2 -0.794 20.1 146.5-105.6 151.2 7.7 -11.0 -5.4 45 50 A Q E - B 0 75A 14 30,-2.0 30,-2.4 -2,-0.3 2,-0.3 -0.968 53.3 -77.3-175.1 159.0 8.9 -11.3 -1.8 46 51 A R E > - B 0 74A 68 -2,-0.3 3,-3.4 28,-0.2 28,-0.2 -0.540 49.1-119.5 -73.6 130.9 11.7 -10.6 0.7 47 52 A K G > S+ 0 0 81 26,-2.2 3,-1.9 1,-0.3 -1,-0.1 0.662 108.0 68.0 -50.5 -26.3 14.3 -13.2 0.2 48 53 A D G 3 S+ 0 0 91 1,-0.3 -1,-0.3 25,-0.2 26,-0.1 0.745 100.7 49.2 -66.4 -23.2 14.0 -14.5 3.8 49 54 A K G X S+ 0 0 41 -3,-3.4 3,-2.3 1,-0.2 4,-0.5 0.201 78.8 117.4 -96.9 15.2 10.6 -15.8 3.0 50 55 A F T X> + 0 0 18 -3,-1.9 4,-2.3 1,-0.3 3,-1.9 0.856 60.4 67.5 -51.0 -45.1 11.9 -17.5 -0.1 51 56 A P H 3> S+ 0 0 72 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.732 96.6 60.8 -51.9 -17.6 11.1 -21.0 1.0 52 57 A Y H <> S+ 0 0 72 -3,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.773 104.9 43.2 -80.3 -31.6 7.5 -19.7 0.6 53 58 A L H <> S+ 0 0 1 -3,-1.9 4,-2.8 -4,-0.5 5,-0.2 0.952 111.6 57.5 -68.8 -58.0 7.9 -19.0 -3.2 54 59 A Q H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.895 105.0 50.4 -22.9 -71.9 9.7 -22.3 -3.2 55 60 A D H X S+ 0 0 59 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.884 111.8 46.7 -39.5 -56.6 6.5 -23.9 -1.8 56 61 A I H X S+ 0 0 3 -4,-1.5 4,-1.6 2,-0.2 3,-0.5 0.932 108.6 54.3 -59.5 -53.7 4.3 -22.3 -4.4 57 62 A Y H ><>S+ 0 0 47 -4,-2.8 5,-1.9 1,-0.3 3,-1.5 0.935 109.5 47.9 -39.0 -61.9 6.6 -23.2 -7.3 58 63 A D H ><5S+ 0 0 67 -4,-2.3 3,-0.6 1,-0.3 -1,-0.3 0.796 109.2 53.9 -56.7 -32.4 6.5 -26.9 -6.3 59 64 A Q H 3<5S+ 0 0 50 -4,-1.7 2,-0.3 -3,-0.5 -1,-0.3 0.736 105.9 55.9 -73.0 -23.7 2.7 -26.6 -6.0 60 65 A L T X<5S- 0 0 10 -4,-1.6 3,-2.2 -3,-1.5 -1,-0.3 -0.448 126.0 -97.2-104.8 54.4 2.8 -25.3 -9.6 61 66 A G T < 5 - 0 0 54 -3,-0.6 -3,-0.2 -2,-0.3 -2,-0.1 0.607 64.4 -77.0 43.4 23.0 4.6 -28.3 -11.1 62 67 A K T 3 S- 0 0 29 -42,-1.3 4,-2.2 -2,-0.2 5,-0.2 0.416 73.1-107.0 100.9 139.0 5.4 -18.8 -21.8 82 87 A S H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.753 115.5 64.8 -64.7 -23.8 2.0 -19.7 -23.1 83 88 A T H > S+ 0 0 97 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.994 109.2 32.4 -62.0 -64.9 2.9 -23.3 -22.3 84 89 A H H >> S+ 0 0 56 -4,-0.4 4,-2.4 1,-0.2 3,-0.9 0.918 121.3 53.4 -55.3 -46.8 3.1 -22.9 -18.5 85 90 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.837 101.1 55.3 -65.0 -38.4 0.4 -20.3 -18.5 86 91 A S H 3< S+ 0 0 59 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.666 115.2 42.4 -74.1 -13.0 -2.3 -22.2 -20.3 87 92 A I H X S+ 0 0 5 -4,-2.4 4,-1.1 2,-0.1 3,-1.1 0.950 106.4 58.5 -76.5 -54.9 -1.7 -22.7 -14.7 89 94 A L H >X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.3 3,-1.1 0.875 99.2 56.9 -50.8 -47.0 -4.1 -19.8 -15.3 90 95 A P H 34 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.879 107.0 51.2 -56.2 -34.8 -7.3 -21.9 -15.7 91 96 A D H << S+ 0 0 67 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.1 0.806 120.1 35.6 -67.0 -29.2 -6.6 -23.4 -12.2 92 97 A L H XX S+ 0 0 0 -4,-1.1 3,-1.7 -3,-1.1 4,-1.1 0.745 97.9 78.2 -97.5 -29.8 -6.2 -19.9 -10.7 93 98 A V G >< S+ 0 0 18 -4,-3.3 3,-0.7 1,-0.3 -2,-0.1 0.854 88.5 57.5 -51.6 -44.0 -8.8 -17.9 -12.7 94 99 A P G 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.728 115.2 38.9 -64.6 -18.2 -11.8 -19.1 -10.7 95 100 A Y G <4 S+ 0 0 57 -3,-1.7 -2,-0.2 -4,-0.1 2,-0.2 0.489 92.3 104.5-107.5 -8.1 -10.2 -17.8 -7.5 96 101 A L << + 0 0 3 -4,-1.1 -84,-0.1 -3,-0.7 -85,-0.1 -0.510 33.4 162.8 -76.6 141.4 -8.6 -14.6 -8.8 97 102 A R S > S+ 0 0 44 -86,-0.3 3,-0.6 -2,-0.2 4,-0.4 0.668 71.5 30.4-118.6 -66.3 -10.3 -11.3 -7.9 98 103 A I T 3 S+ 0 0 19 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.892 134.0 28.9 -66.9 -42.3 -8.1 -8.3 -8.4 99 104 A K T 3> S+ 0 0 26 -88,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.163 87.2 111.4-106.1 16.9 -6.0 -9.6 -11.3 100 105 A K H <> S+ 0 0 81 -3,-0.6 4,-1.2 2,-0.2 3,-0.4 0.931 76.6 50.8 -58.6 -50.6 -8.6 -11.9 -12.7 101 106 A K H >> S+ 0 0 111 -4,-0.4 4,-2.3 1,-0.2 3,-2.2 0.962 106.4 54.2 -48.1 -63.0 -9.1 -9.8 -15.9 102 107 A Q H 3> S+ 0 0 9 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.823 105.9 54.8 -41.2 -41.0 -5.4 -9.8 -16.6 103 108 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.7 -3,-0.4 -1,-0.3 0.803 110.0 45.3 -68.9 -29.9 -5.4 -13.5 -16.4 104 109 A N H X S+ 0 0 81 -4,-2.4 4,-1.6 2,-0.2 3,-0.6 0.955 107.3 48.4 -67.4 -50.6 -7.1 -14.5 -24.7 109 114 A I H 3X S+ 0 0 0 -4,-3.5 4,-1.2 1,-0.2 3,-0.3 0.919 107.1 60.0 -49.6 -43.7 -3.8 -13.5 -26.2 110 115 A I H 3< S+ 0 0 26 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.851 103.1 49.9 -59.7 -35.6 -2.9 -17.2 -26.0 111 116 A N H << S+ 0 0 127 -4,-1.5 -1,-0.2 -3,-0.6 4,-0.2 0.872 117.6 39.0 -66.5 -39.0 -5.8 -18.2 -28.3 112 117 A L H X S+ 0 0 63 -4,-1.6 4,-1.6 -3,-0.3 -2,-0.2 0.437 91.1 90.3 -94.4 -2.5 -4.9 -15.6 -31.0 113 118 A Y H X S+ 0 0 48 -4,-1.2 4,-1.3 -3,-0.3 -1,-0.2 0.887 82.3 53.3 -65.8 -42.4 -1.1 -15.9 -30.9 114 119 A P H 4 S+ 0 0 85 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.828 114.4 41.0 -64.3 -34.6 -0.7 -18.6 -33.5 115 120 A Q H 4 S+ 0 0 128 -4,-0.2 -2,-0.2 -3,-0.2 7,-0.2 0.768 115.0 51.1 -82.7 -27.3 -2.7 -16.8 -36.2 116 121 A A H >< S+ 0 0 2 -4,-1.6 3,-1.4 6,-0.2 7,-0.3 0.662 87.2 89.8 -82.6 -17.1 -1.3 -13.4 -35.4 117 122 A Q T 3< S+ 0 0 58 -4,-1.3 2,-0.6 1,-0.3 -84,-0.2 0.927 103.1 18.2 -44.6 -69.8 2.3 -14.7 -35.6 118 123 A K T 3 S+ 0 0 147 -4,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.500 110.4 86.8-104.5 62.5 2.9 -14.0 -39.3 119 124 A N X> - 0 0 52 -3,-1.4 4,-3.0 -2,-0.6 3,-0.8 -0.529 56.4-163.7-161.8 86.4 0.1 -11.6 -39.9 120 125 A P H 3> S+ 0 0 29 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.726 91.2 52.7 -43.9 -39.0 0.8 -7.9 -39.2 121 126 A S H 3> S+ 0 0 70 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.923 116.5 38.8 -66.7 -44.7 -2.9 -6.9 -39.2 122 127 A K H <> S+ 0 0 94 -3,-0.8 4,-2.3 1,-0.2 5,-0.2 0.845 107.7 62.5 -74.3 -35.9 -3.7 -9.6 -36.6 123 128 A F H X S+ 0 0 3 -4,-3.0 4,-1.4 -7,-0.3 -1,-0.2 0.774 102.2 55.6 -59.7 -23.4 -0.5 -9.0 -34.7 124 129 A L H X S+ 0 0 8 -4,-0.8 4,-1.1 -5,-0.3 -1,-0.2 0.919 103.7 50.1 -76.0 -44.6 -1.9 -5.5 -34.1 125 130 A D H >X S+ 0 0 82 -4,-1.1 4,-1.6 1,-0.2 3,-1.2 0.953 112.3 50.2 -52.0 -50.5 -5.1 -6.7 -32.5 126 131 A L H 3X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.858 107.0 53.6 -56.0 -40.0 -3.0 -8.9 -30.3 127 132 A V H 3X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.654 101.8 60.9 -74.5 -14.1 -0.8 -5.9 -29.4 128 133 A K H < S+ 0 0 29 -4,-1.8 3,-1.6 -3,-0.3 -1,-0.2 0.929 99.2 56.4 -70.1 -48.9 -3.4 -0.6 -18.6 136 141 A L H 3< S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.855 102.9 58.9 -45.8 -38.4 -5.2 -2.8 -16.1 137 142 A N T 3< S+ 0 0 57 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.3 -0.051 101.4 80.6 -84.6 33.2 -1.8 -2.7 -14.2 138 143 A K S < S- 0 0 56 -3,-1.6 2,-0.4 -2,-0.1 -3,-0.1 -0.848 84.8-100.1-133.6 167.3 -2.0 1.1 -13.8 139 144 A R > - 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