==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, PROTEIN BINDING 26-MAR-12 4ECB . COMPND 2 MOLECULE: CHIMERIC PROTEIN BETWEEN GSHKT10 AND DOMAIN 5 OF . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA JAPONICUM, HOMO SAPIENS; . AUTHOR A.B.AMBER,M.M.SERGEI,P.YI, RITA,R,Q.XIAOPING,P.-C.MARIANNE, . 400 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.0 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 . 4 1.0 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 . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 1 2 0 2 2 0 0 0 2 0 0 0 0 0 1 1 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 4 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 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 2 A S 0 0 91 0, 0.0 26,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 135.2 15.6 -14.2 -46.3 2 3 A P - 0 0 21 0, 0.0 26,-3.1 0, 0.0 2,-0.4 -0.218 360.0-143.0 -53.0 143.8 12.5 -13.0 -44.6 3 4 A I E -aB 28 46A 32 43,-3.1 43,-2.5 24,-0.2 2,-0.5 -0.959 11.7-166.6-114.8 130.2 12.7 -9.7 -42.7 4 5 A L E -aB 29 45A 1 24,-2.4 26,-2.1 -2,-0.4 2,-0.5 -0.957 10.4-165.7-116.0 113.9 11.0 -9.0 -39.4 5 6 A G E +aB 30 44A 0 39,-3.1 39,-1.8 -2,-0.5 2,-0.3 -0.877 26.8 122.7-105.5 132.0 10.9 -5.4 -38.4 6 7 A Y E -a 31 0A 17 24,-2.3 26,-2.5 -2,-0.5 2,-0.1 -0.950 61.9 -68.6-162.9 174.2 10.0 -4.2 -34.9 7 8 A W E -a 32 0A 104 -2,-0.3 2,-2.3 24,-0.2 26,-0.2 -0.356 56.6-101.7 -62.8 156.3 11.3 -2.2 -31.9 8 9 A K S S+ 0 0 83 24,-2.6 2,-0.3 23,-0.1 180,-0.1 -0.380 95.4 91.3 -80.1 59.6 14.2 -3.7 -30.0 9 10 A I S S- 0 0 4 -2,-2.3 181,-0.2 1,-0.2 4,-0.1 -0.871 87.9-110.6-138.7 171.1 11.8 -4.8 -27.3 10 11 A K S >> S+ 0 0 0 179,-2.6 4,-1.3 -2,-0.3 3,-0.9 0.988 73.3 125.9 -66.2 -65.9 9.7 -8.0 -26.6 11 12 A G G >4 S- 0 0 5 179,-1.8 3,-0.6 1,-0.2 180,-0.1 0.035 82.9 -22.4 47.8-145.2 6.4 -6.2 -27.3 12 13 A L G 34 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.648 135.4 54.9 -72.5 -18.0 3.9 -7.5 -29.9 13 14 A V G X> S+ 0 0 0 -3,-0.9 4,-2.1 1,-0.2 3,-0.6 0.568 74.2 95.0-100.9 -8.4 6.5 -9.6 -31.8 14 15 A Q H S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.851 109.2 54.7 -63.1 -31.6 5.8 -14.8 -29.7 16 17 A T H <> S+ 0 0 2 -3,-0.6 4,-2.6 -4,-0.2 -2,-0.2 0.899 107.1 49.1 -64.6 -43.7 6.6 -14.5 -33.5 17 18 A R H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.939 112.2 49.0 -60.4 -44.1 10.3 -14.7 -32.8 18 19 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.916 111.2 49.3 -62.6 -42.2 9.8 -17.8 -30.6 19 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.940 110.7 50.2 -62.6 -44.9 7.7 -19.4 -33.3 20 21 A L H <>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 4,-0.4 0.896 113.0 46.0 -60.2 -41.9 10.3 -18.7 -35.9 21 22 A E H ><5S+ 0 0 28 -4,-2.4 3,-0.7 2,-0.2 -1,-0.2 0.891 110.3 53.9 -67.6 -40.6 13.1 -20.2 -33.7 22 23 A Y H 3<5S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.916 112.9 42.9 -56.1 -45.8 10.9 -23.2 -32.9 23 24 A L T 3<5S- 0 0 34 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.486 108.2-128.2 -79.7 -7.4 10.4 -23.8 -36.7 24 25 A E T < 5 + 0 0 144 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.748 47.7 168.8 63.3 22.4 14.2 -23.1 -37.3 25 26 A E < - 0 0 70 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.2 -0.335 36.3-121.1 -58.6 143.4 13.1 -20.6 -40.0 26 27 A K + 0 0 152 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.797 47.6 151.6 -90.7 132.8 15.9 -18.4 -41.4 27 28 A Y - 0 0 22 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.988 35.8-138.8-156.5 153.5 15.1 -14.7 -41.0 28 29 A E E -a 3 0A 92 -26,-3.1 -24,-2.4 -2,-0.3 2,-0.4 -0.827 22.5-139.6-107.9 155.2 16.8 -11.3 -40.5 29 30 A E E -a 4 0A 45 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.932 10.2-154.6-117.2 139.9 15.6 -8.6 -38.1 30 31 A H E -a 5 0A 71 -26,-2.1 -24,-2.3 -2,-0.4 2,-0.6 -0.967 24.2-165.0-100.5 115.3 15.3 -4.9 -38.4 31 32 A L E -a 6 0A 58 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.898 6.4-153.3-109.1 113.7 15.5 -3.7 -34.8 32 33 A Y E -a 7 0A 73 -26,-2.5 -24,-2.6 -2,-0.6 2,-0.1 -0.787 14.8-151.1 -91.8 123.0 14.5 -0.2 -34.1 33 34 A E - 0 0 121 -2,-0.6 -24,-0.1 -26,-0.2 -1,-0.0 -0.363 33.7 -84.1 -93.0 171.1 16.1 1.4 -31.1 34 35 A R 0 0 123 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.749 360.0 360.0 -46.2 -44.8 14.9 4.1 -28.6 35 36 A D 0 0 202 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.554 360.0 360.0 -77.2 360.0 15.9 7.1 -30.7 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 60 A L 0 0 211 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.5 8.2 2.6 -45.9 38 61 A E + 0 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.551 360.0 9.8-121.8 -16.1 8.9 6.2 -44.5 39 62 A F S S- 0 0 198 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.888 106.4-129.5 -94.8 -52.3 7.9 6.1 -40.8 40 63 A P - 0 0 39 0, 0.0 2,-0.7 0, 0.0 4,-0.0 0.768 9.6-122.6 -99.5-167.3 7.5 3.0 -40.8 41 64 A N - 0 0 105 -2,-0.1 -36,-0.1 2,-0.0 13,-0.1 -0.776 45.0-112.2 -94.9 109.3 4.6 0.8 -39.6 42 65 A L S S+ 0 0 31 -2,-0.7 -36,-0.1 11,-0.1 13,-0.1 -0.768 84.5 25.2-110.1 137.8 5.7 -1.7 -36.9 43 66 A P S S+ 0 0 4 0, 0.0 11,-0.6 0, 0.0 2,-0.3 0.491 75.5 170.7 -82.8 160.3 5.9 -4.7 -36.9 44 67 A Y E -BC 5 53A 29 -39,-1.8 -39,-3.1 9,-0.2 2,-0.4 -0.961 18.4-159.6-128.4 157.3 6.4 -5.7 -40.5 45 68 A Y E -BC 4 52A 5 7,-2.0 7,-3.4 -2,-0.3 2,-0.5 -0.993 12.1-178.4-136.5 124.0 7.3 -8.9 -42.2 46 69 A I E +BC 3 51A 48 -43,-2.5 -43,-3.1 -2,-0.4 2,-0.2 -0.987 14.0 148.9-128.0 121.6 8.7 -9.2 -45.7 47 70 A D - 0 0 29 3,-2.1 -2,-0.0 -2,-0.5 0, 0.0 -0.597 65.5 -72.4-123.3-159.0 9.6 -12.2 -47.7 48 71 A G S S+ 0 0 72 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 0.974 126.3 24.7 -54.6 -78.0 9.6 -12.6 -51.5 49 72 A D S S+ 0 0 97 -3,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.955 118.1 47.4 -39.7 -82.1 5.8 -12.8 -52.0 50 73 A V - 0 0 6 -4,-0.0 -3,-2.1 1,-0.0 2,-0.4 -0.295 47.1-167.5 -90.4 152.4 4.2 -11.0 -49.0 51 74 A K E -C 46 0A 151 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.983 29.8-173.4-126.2 117.9 4.7 -7.7 -47.2 52 75 A L E +C 45 0A 7 -7,-3.4 -7,-2.0 -2,-0.4 2,-0.3 -0.876 22.7 177.6-121.3 149.3 2.8 -7.8 -43.9 53 76 A T E +C 44 0A 38 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.838 52.0 72.5-127.9 174.1 1.8 -5.5 -41.0 54 77 A Q S > S- 0 0 34 -11,-0.6 4,-2.2 -2,-0.3 3,-0.3 0.721 73.3-126.3 80.1 109.7 -0.4 -6.4 -38.0 55 78 A S H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.811 108.4 52.3 -57.7 -32.9 1.4 -8.7 -35.5 56 79 A M H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 108.1 49.4 -75.0 -36.1 -1.4 -11.3 -35.6 57 80 A A H > S+ 0 0 1 -3,-0.3 4,-2.4 223,-0.2 -2,-0.2 0.901 111.9 52.0 -62.2 -38.1 -1.5 -11.5 -39.4 58 81 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.939 112.8 41.1 -66.9 -48.3 2.3 -12.0 -39.3 59 82 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.892 115.4 51.6 -69.4 -37.8 2.4 -14.9 -36.8 60 83 A R H X S+ 0 0 9 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.908 109.0 51.5 -63.0 -40.6 -0.7 -16.5 -38.4 61 84 A Y H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.949 110.3 47.6 -61.2 -49.8 1.1 -16.4 -41.8 62 85 A I H X S+ 0 0 3 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.932 115.5 45.0 -56.9 -48.1 4.2 -18.0 -40.5 63 86 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.9 0.898 111.9 53.8 -59.1 -42.5 2.1 -20.7 -38.8 64 87 A D H ><5S+ 0 0 16 -4,-3.1 3,-2.1 1,-0.2 -2,-0.2 0.891 101.1 58.2 -60.6 -45.0 0.0 -21.1 -42.0 65 88 A K H 3<5S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.693 111.7 43.7 -58.2 -21.2 3.2 -21.6 -44.1 66 89 A H T <<5S- 0 0 61 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.099 117.2-112.4-112.4 19.8 3.9 -24.6 -41.9 67 90 A N T < 5S+ 0 0 148 -3,-2.1 -3,-0.2 1,-0.1 3,-0.2 0.801 78.0 127.9 58.7 37.0 0.3 -26.0 -41.8 68 91 A M < + 0 0 28 -5,-2.7 69,-0.2 -8,-0.2 -4,-0.2 0.425 41.9 85.5-105.1 1.7 -0.2 -25.1 -38.1 69 92 A L S S- 0 0 9 -6,-0.3 10,-0.3 1,-0.2 11,-0.2 0.704 105.5 -75.4 -77.3 -21.6 -3.5 -23.1 -38.2 70 93 A G - 0 0 14 -3,-0.2 -1,-0.2 9,-0.1 6,-0.1 -0.202 27.2-115.1 129.3 141.9 -5.7 -26.2 -38.0 71 94 A G S S+ 0 0 66 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.0 0.579 93.7 15.5 -80.0 -13.4 -6.9 -29.0 -40.4 72 95 A C S > S- 0 0 58 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.950 89.2 -91.1-151.4 168.3 -10.7 -28.0 -40.4 73 96 A P H > S+ 0 0 32 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.883 123.6 50.7 -52.5 -40.3 -13.0 -25.1 -39.5 74 97 A K H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.922 112.2 45.5 -66.5 -45.4 -13.5 -26.4 -36.0 75 98 A E H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 112.4 51.3 -62.7 -39.8 -9.8 -26.9 -35.3 76 99 A R H X S+ 0 0 65 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.869 110.2 48.6 -68.6 -38.6 -8.9 -23.4 -36.7 77 100 A A H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.872 108.3 55.5 -62.6 -41.6 -11.6 -21.7 -34.6 78 101 A E H X S+ 0 0 45 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.914 110.9 44.4 -55.6 -45.4 -10.2 -23.6 -31.5 79 102 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 -10,-0.3 -2,-0.2 0.910 112.7 50.9 -68.0 -41.9 -6.8 -22.1 -32.3 80 103 A S H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.848 108.6 53.6 -62.6 -35.8 -8.3 -18.6 -32.9 81 104 A M H X S+ 0 0 22 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.912 108.3 47.3 -66.7 -44.6 -10.1 -18.9 -29.6 82 105 A L H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.912 111.2 54.1 -62.1 -40.1 -6.9 -19.7 -27.7 83 106 A E H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.930 110.0 45.1 -57.4 -51.2 -5.3 -16.8 -29.5 84 107 A G H X S+ 0 0 10 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.908 111.0 53.8 -65.1 -41.9 -8.0 -14.4 -28.4 85 108 A A H X S+ 0 0 13 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.852 110.5 46.6 -63.0 -36.1 -7.9 -15.6 -24.8 86 109 A V H >X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-0.6 0.902 108.8 55.7 -68.1 -44.3 -4.1 -15.0 -24.6 87 110 A L H 3X>S+ 0 0 32 -4,-2.4 4,-3.2 1,-0.2 5,-0.6 0.850 97.4 62.2 -57.9 -36.3 -4.5 -11.6 -26.1 88 111 A D H 3X5S+ 0 0 78 -4,-1.9 4,-0.8 3,-0.2 -1,-0.2 0.890 111.5 40.8 -56.7 -37.5 -7.0 -10.6 -23.4 89 112 A I H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-1.3 0.972 115.0 46.5 -63.8 -55.1 -1.1 -5.6 -19.6 94 117 A S H 3X S+ 0 0 26 -4,-2.0 4,-0.5 1,-0.3 -2,-0.2 0.804 101.9 66.2 -60.6 -33.8 -0.3 -3.2 -22.4 95 118 A R H 3< S+ 0 0 135 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.814 117.6 23.7 -55.9 -32.9 -3.6 -1.3 -22.0 96 119 A I H X< S+ 0 0 20 -3,-1.3 3,-1.6 -4,-0.7 -1,-0.2 0.546 98.5 89.0-111.0 -14.0 -2.4 -0.1 -18.5 97 120 A A H 3< S+ 0 0 0 -4,-1.5 99,-2.4 1,-0.3 100,-1.8 0.654 87.3 52.1 -68.7 -18.3 1.4 -0.2 -18.7 98 121 A Y T 3< S+ 0 0 103 -4,-0.5 2,-0.3 97,-0.2 -1,-0.3 0.202 88.9 106.7 -99.6 13.3 1.8 3.4 -20.1 99 122 A S X - 0 0 37 -3,-1.6 3,-1.2 1,-0.1 4,-0.1 -0.729 67.0-144.3 -94.2 142.6 -0.3 5.1 -17.3 100 123 A K T > S+ 0 0 201 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.869 109.8 58.2 -57.8 -36.9 0.9 7.3 -14.5 101 124 A D T >> S+ 0 0 97 1,-0.2 4,-2.4 2,-0.1 3,-1.0 0.145 70.6 119.7 -77.6 17.9 -2.0 5.5 -12.7 102 125 A F H <> + 0 0 6 -3,-1.2 4,-3.1 1,-0.3 5,-0.2 0.873 66.2 60.0 -55.5 -42.7 -0.5 2.0 -13.4 103 126 A E H <> S+ 0 0 118 -3,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.831 112.3 39.8 -56.2 -35.7 -0.2 1.1 -9.7 104 127 A T H X> S+ 0 0 95 -3,-1.0 4,-1.0 2,-0.2 3,-0.8 0.903 115.5 49.3 -75.6 -50.6 -4.0 1.5 -9.3 105 128 A L H 3X S+ 0 0 58 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.840 101.8 64.2 -63.6 -29.7 -5.0 -0.1 -12.6 106 129 A K H 3X S+ 0 0 55 -4,-3.1 4,-3.4 -5,-0.3 -1,-0.2 0.850 94.8 60.8 -65.3 -30.2 -2.8 -3.1 -11.9 107 130 A V H X S+ 0 0 90 -4,-1.0 4,-1.6 2,-0.2 3,-0.7 0.965 115.7 48.9 -55.9 -55.3 -8.0 -4.3 -11.1 109 132 A F H >X S+ 0 0 21 -4,-2.4 4,-1.6 1,-0.2 3,-0.6 0.932 111.3 48.1 -52.2 -52.5 -5.9 -6.3 -13.7 110 133 A L H 3< S+ 0 0 33 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.742 107.3 57.8 -65.5 -21.4 -4.4 -8.7 -11.1 111 134 A S H << S+ 0 0 76 -4,-1.4 4,-0.3 -3,-0.7 -1,-0.2 0.859 112.3 39.6 -74.4 -36.5 -7.8 -9.3 -9.6 112 135 A K H XX S+ 0 0 116 -4,-1.6 4,-1.4 -3,-0.6 3,-0.6 0.663 98.1 81.3 -82.9 -20.0 -9.2 -10.6 -12.9 113 136 A L H 3X S+ 0 0 2 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.870 81.7 60.1 -58.9 -45.0 -6.0 -12.5 -13.9 114 137 A P H 3> S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.881 106.7 47.6 -52.2 -39.5 -6.6 -15.7 -11.9 115 138 A E H <> S+ 0 0 132 -3,-0.6 4,-0.9 -4,-0.3 -2,-0.2 0.863 113.2 48.3 -71.1 -36.5 -9.9 -16.4 -13.8 116 139 A M H X S+ 0 0 56 -4,-1.4 4,-0.7 1,-0.2 3,-0.4 0.917 113.8 47.0 -64.9 -45.8 -8.2 -15.7 -17.1 117 140 A L H >X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 3,-1.0 0.883 101.5 65.7 -62.2 -40.7 -5.3 -18.1 -16.2 118 141 A K H 3X S+ 0 0 110 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.821 92.3 60.5 -60.0 -34.7 -7.6 -20.8 -14.9 119 142 A M H 3X S+ 0 0 74 -4,-0.9 4,-2.0 -3,-0.4 -1,-0.3 0.916 110.5 42.8 -53.5 -42.9 -9.1 -21.5 -18.4 120 143 A F H < S+ 0 0 71 -4,-2.8 3,-1.0 1,-0.2 4,-0.4 0.903 112.5 52.8 -68.9 -40.6 -7.9 -26.5 -16.9 123 146 A R H >< S+ 0 0 39 -4,-2.0 3,-1.1 -5,-0.3 4,-0.4 0.913 107.9 52.4 -55.6 -42.9 -7.1 -26.9 -20.5 124 147 A L H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.582 88.7 79.5 -76.6 -8.6 -3.6 -28.0 -19.6 125 148 A C T << S+ 0 0 68 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.777 110.9 22.5 -67.9 -24.6 -4.8 -30.7 -17.2 126 149 A H S < S+ 0 0 142 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.279 121.1 59.7-123.9 7.3 -5.5 -33.1 -20.2 127 150 A K - 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