==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 15-APR-11 3RJ3 . COMPND 2 MOLECULE: COMPLEMENT C3D FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.P.MORGAN,J.P.HANNAN . 1237 9 14 11 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 804 65.0 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 . 115 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 63 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.4 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 3 0 1 1 1 2 3 0 1 2 6 6 0 3 6 0 2 1 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 . 16 5 17 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 . 22 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 3 A D > 0 0 130 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 153.1 42.3 -36.3 22.5 2 4 A A G > + 0 0 4 1,-0.2 3,-0.8 2,-0.2 31,-0.0 0.672 360.0 66.6 -63.3 -20.9 42.1 -36.8 26.2 3 5 A E G > S+ 0 0 92 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.859 91.0 60.7 -73.5 -35.0 40.3 -33.5 27.0 4 6 A R G < S+ 0 0 116 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.588 113.9 39.2 -66.2 -9.4 37.1 -34.5 25.2 5 7 A L G X S+ 0 0 5 -3,-0.8 3,-1.2 -4,-0.2 -1,-0.3 -0.043 70.9 117.6-135.2 32.9 36.8 -37.4 27.7 6 8 A K G X S+ 0 0 83 -3,-1.3 3,-1.2 1,-0.2 -2,-0.1 0.723 70.3 70.6 -72.5 -19.3 37.9 -36.1 31.0 7 9 A H G 3 S+ 0 0 19 1,-0.2 -1,-0.2 -4,-0.2 19,-0.1 0.610 78.5 77.9 -72.9 -10.9 34.4 -36.8 32.3 8 10 A L G < S+ 0 0 1 -3,-1.2 2,-0.6 17,-0.1 -1,-0.2 0.749 74.2 86.1 -70.7 -24.0 35.2 -40.5 32.1 9 11 A I < + 0 0 44 -3,-1.2 2,-0.3 -4,-0.2 41,-0.0 -0.711 65.4 145.4 -75.9 117.6 37.2 -40.2 35.4 10 12 A V - 0 0 9 -2,-0.6 16,-0.1 12,-0.2 995,-0.1 -0.995 53.5 -99.9-155.8 151.9 34.5 -40.6 38.0 11 13 A T - 0 0 4 993,-0.4 2,-0.2 -2,-0.3 995,-0.2 -0.633 40.8-124.1 -77.9 129.2 34.0 -42.0 41.5 12 14 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.527 40.6 164.3 -74.5 139.5 32.3 -45.4 41.6 13 15 A S + 0 0 4 5,-0.4 9,-0.3 -2,-0.2 979,-0.2 -0.973 23.5 43.5-153.9 157.4 29.0 -45.6 43.6 14 16 A G S S- 0 0 4 977,-2.4 974,-0.0 -2,-0.3 995,-0.0 -0.445 80.9 -44.2 100.7-172.0 26.0 -47.8 44.1 15 17 A A S > S- 0 0 9 -2,-0.1 4,-2.8 4,-0.1 5,-0.3 0.101 82.3 -57.3 -84.3-163.0 25.4 -51.6 44.5 16 18 A G T 4 S+ 0 0 0 57,-2.4 4,-0.3 1,-0.2 57,-0.2 0.716 135.6 33.7 -53.1 -28.4 26.7 -54.6 42.6 17 19 A E T >> S+ 0 0 2 2,-0.1 4,-1.7 56,-0.1 3,-0.7 0.902 119.9 44.3 -92.0 -56.4 25.4 -53.3 39.2 18 20 A Q H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 -5,-0.4 0.830 107.6 61.5 -60.2 -33.2 25.7 -49.5 39.4 19 21 A N H 3X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.893 106.3 45.7 -60.6 -38.4 29.2 -49.8 41.0 20 22 A M H <> S+ 0 0 0 -3,-0.7 4,-1.9 -5,-0.3 -1,-0.2 0.833 107.8 58.3 -72.0 -32.9 30.3 -51.5 37.8 21 23 A I H < S+ 0 0 5 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.908 113.0 39.3 -59.9 -42.8 28.6 -48.9 35.8 22 24 A G H X S+ 0 0 0 -4,-2.3 4,-0.9 -9,-0.3 -2,-0.2 0.898 113.6 53.1 -73.9 -42.2 30.7 -46.3 37.5 23 25 A M H X S+ 0 0 3 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.820 97.9 72.7 -62.0 -30.4 33.9 -48.3 37.5 24 26 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.932 95.5 42.2 -53.7 -61.5 33.5 -48.8 33.7 25 27 A P H > S+ 0 0 9 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.869 115.0 50.6 -61.7 -35.7 34.4 -45.4 32.3 26 28 A T H X S+ 0 0 1 -4,-0.9 4,-2.0 2,-0.2 5,-0.2 0.895 110.2 49.0 -69.7 -39.8 37.4 -44.8 34.7 27 29 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.938 115.0 43.0 -64.1 -47.3 39.0 -48.2 33.9 28 30 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.752 110.6 58.0 -73.4 -22.8 38.8 -47.8 30.1 29 31 A A H X S+ 0 0 1 -4,-1.4 4,-2.0 -5,-0.3 5,-0.2 0.933 110.0 41.7 -71.1 -46.6 39.9 -44.2 30.3 30 32 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.902 115.2 52.5 -65.0 -41.0 43.1 -45.1 32.1 31 33 A H H X S+ 0 0 41 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.905 112.8 43.2 -60.6 -44.0 43.6 -48.1 29.7 32 34 A Y H X S+ 0 0 33 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.823 114.9 48.6 -75.3 -33.0 43.1 -46.0 26.6 33 35 A L H <>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 6,-0.5 0.857 108.8 54.0 -75.7 -37.5 45.3 -43.1 27.8 34 36 A D H ><5S+ 0 0 48 -4,-2.5 3,-0.6 -5,-0.2 -2,-0.2 0.945 112.9 44.9 -54.5 -48.7 48.1 -45.5 28.8 35 37 A E H 3<5S+ 0 0 62 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.940 118.5 38.6 -66.9 -50.6 48.0 -46.9 25.3 36 38 A T T 3<5S- 0 0 31 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.357 105.3-132.9 -82.2 6.4 47.9 -43.7 23.3 37 39 A E T < 5 + 0 0 148 -3,-0.6 -3,-0.2 -4,-0.3 4,-0.2 0.901 56.4 143.0 40.3 67.9 50.3 -42.2 25.9 38 40 A Q >< + 0 0 35 -5,-1.5 4,-2.4 2,-0.1 5,-0.3 0.332 35.8 99.2-115.6 2.6 48.4 -38.9 26.4 39 41 A W H > S+ 0 0 10 -6,-0.5 4,-1.6 1,-0.2 7,-0.2 0.736 76.7 66.8 -62.1 -20.7 48.9 -38.5 30.2 40 42 A E H 4 S+ 0 0 142 3,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.978 113.4 25.4 -64.2 -57.6 51.7 -36.0 29.2 41 43 A K H 4 S+ 0 0 206 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.968 126.2 48.6 -70.3 -55.9 49.4 -33.4 27.7 42 44 A F H < S- 0 0 17 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.2 0.948 129.6 -77.2 -47.9 -59.8 46.3 -34.3 29.7 43 45 A G >X - 0 0 2 -4,-1.6 3,-1.9 -5,-0.3 4,-0.5 -0.024 25.7-148.0 150.6 102.6 48.2 -34.4 33.0 44 46 A L H >> S+ 0 0 87 -4,-0.4 3,-1.1 1,-0.3 4,-0.6 0.822 102.3 62.0 -51.0 -34.2 50.5 -36.9 34.5 45 47 A E H 3> S+ 0 0 138 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.773 94.5 61.8 -65.3 -27.1 49.2 -35.9 37.9 46 48 A K H <> S+ 0 0 88 -3,-1.9 4,-1.7 -7,-0.2 -1,-0.2 0.692 90.5 69.9 -73.9 -19.8 45.7 -37.0 37.1 47 49 A R H < S+ 0 0 64 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.811 106.5 55.8 -67.4 -29.5 33.6 -51.8 46.6 61 63 A Q H >< S+ 0 0 0 -4,-1.9 3,-2.2 -3,-0.2 -1,-0.2 0.801 93.0 69.1 -72.6 -29.0 32.6 -54.6 44.1 62 64 A L G >< S+ 0 0 57 -4,-1.4 3,-1.4 -3,-0.3 -1,-0.2 0.758 85.9 70.0 -61.3 -23.9 34.0 -57.3 46.5 63 65 A A G < S+ 0 0 67 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.703 101.5 45.8 -64.8 -18.8 31.2 -56.5 48.8 64 66 A F G < S+ 0 0 7 -3,-2.2 8,-0.8 -4,-0.2 2,-0.6 0.261 81.8 116.7-112.0 8.4 28.9 -58.1 46.2 65 67 A R B < -A 71 0A 85 -3,-1.4 6,-0.2 6,-0.2 5,-0.1 -0.707 58.2-146.6 -74.8 119.4 31.0 -61.1 45.6 66 68 A Q > - 0 0 21 4,-3.0 3,-2.8 -2,-0.6 -2,-0.1 -0.403 27.8-101.1 -85.4 164.2 28.9 -64.1 46.8 67 69 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.768 124.8 60.9 -56.0 -25.4 30.4 -67.3 48.4 68 70 A S T 3 S- 0 0 49 2,-0.1 3,-0.1 1,-0.1 43,-0.1 0.594 118.0-115.2 -73.6 -12.0 30.0 -68.9 45.0 69 71 A S S < S+ 0 0 17 -3,-2.8 2,-0.1 1,-0.4 42,-0.1 0.376 80.7 120.9 84.9 -0.3 32.4 -66.3 43.6 70 72 A A - 0 0 0 41,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.375 54.9-130.1 -88.2 170.9 29.5 -65.0 41.5 71 73 A F B +A 65 0A 0 9,-0.4 9,-3.0 -6,-0.2 13,-0.4 -0.917 26.8 161.4-125.8 150.3 28.0 -61.5 41.5 72 74 A A - 0 0 1 -8,-0.8 -56,-0.1 -2,-0.3 3,-0.1 -0.937 54.1 -96.3-149.2 171.6 24.6 -59.8 41.8 73 75 A A S S+ 0 0 3 -2,-0.3 -57,-2.4 5,-0.2 2,-0.3 0.915 112.6 19.4 -55.3 -44.0 23.3 -56.3 42.6 74 76 A F S > S- 0 0 77 -59,-0.2 3,-1.9 4,-0.1 -1,-0.1 -0.934 78.6-121.2-129.0 151.7 22.7 -57.5 46.2 75 77 A V T 3 S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.751 115.5 53.6 -61.9 -23.8 24.2 -60.5 48.2 76 78 A K T 3 S+ 0 0 207 2,-0.1 2,-0.4 -10,-0.0 -1,-0.3 0.440 93.3 91.5 -90.4 -1.5 20.6 -61.7 48.7 77 79 A R S < S- 0 0 87 -3,-1.9 3,-0.1 1,-0.1 50,-0.1 -0.768 91.1 -98.1 -97.4 139.8 19.9 -61.7 45.0 78 80 A A - 0 0 60 -2,-0.4 -5,-0.2 1,-0.1 -4,-0.1 -0.265 53.1 -97.4 -52.1 135.7 20.4 -64.7 42.7 79 81 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 47,-0.3 -0.213 35.2-128.9 -62.1 145.7 23.8 -64.3 40.9 80 82 A S > - 0 0 1 -9,-3.0 4,-2.1 1,-0.2 -9,-0.4 -0.833 7.3-154.4-101.3 130.8 23.8 -63.0 37.4 81 83 A T H > S+ 0 0 0 -2,-0.5 4,-2.2 2,-0.2 5,-0.2 0.953 98.9 45.2 -61.6 -49.7 25.5 -64.7 34.5 82 84 A W H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.937 113.7 47.6 -62.1 -49.8 26.0 -61.5 32.6 83 85 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 112.4 48.9 -59.6 -47.5 27.1 -59.4 35.5 84 86 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 -13,-0.4 -1,-0.2 0.920 113.0 48.3 -57.6 -45.5 29.7 -62.0 36.7 85 87 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.895 110.8 51.5 -60.8 -40.6 31.0 -62.2 33.1 86 88 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.885 106.5 52.8 -66.9 -39.4 31.2 -58.4 32.9 87 89 A V H X S+ 0 0 2 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.916 110.2 48.9 -60.1 -42.7 33.1 -58.2 36.1 88 90 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.943 110.7 51.4 -59.6 -47.7 35.6 -60.7 34.6 89 91 A K H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.912 116.9 39.0 -53.7 -47.8 35.7 -58.6 31.5 90 92 A V H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.909 116.8 47.7 -74.7 -44.4 36.5 -55.4 33.5 91 93 A F H >X S+ 0 0 1 -4,-3.3 4,-0.7 1,-0.2 3,-0.6 0.889 107.6 57.3 -65.1 -39.8 38.8 -56.9 36.0 92 94 A S H >< S+ 0 0 9 -4,-2.7 3,-0.7 -5,-0.3 4,-0.2 0.888 108.4 46.2 -56.0 -41.9 40.8 -58.8 33.4 93 95 A L H 3< S+ 0 0 23 -4,-1.1 3,-0.3 -5,-0.2 -1,-0.2 0.690 113.9 50.2 -76.7 -17.3 41.6 -55.5 31.6 94 96 A A H XX S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.6 3,-1.7 0.405 78.0 96.3-102.6 0.2 42.5 -53.8 34.9 95 97 A V T << S+ 0 0 37 -3,-0.7 5,-0.3 -4,-0.7 -1,-0.2 0.793 89.1 47.3 -62.1 -28.0 45.0 -56.4 36.2 96 98 A N T 34 S+ 0 0 153 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.346 113.1 50.0 -94.0 5.6 47.9 -54.4 34.9 97 99 A L T <4 S+ 0 0 21 -3,-1.7 2,-0.3 1,-0.4 -2,-0.2 0.722 125.0 0.7-106.7 -39.2 46.4 -51.2 36.3 98 100 A I S < S- 0 0 24 -4,-2.3 2,-0.9 -44,-0.1 -1,-0.4 -0.841 90.3 -77.6-140.5 177.2 45.8 -52.3 39.9 99 101 A A - 0 0 91 -2,-0.3 2,-0.5 -3,-0.1 -4,-0.1 -0.723 45.9-171.8 -87.9 104.4 46.2 -55.4 42.0 100 102 A I - 0 0 23 -2,-0.9 2,-0.7 -5,-0.3 3,-0.1 -0.830 25.4-124.8 -95.3 128.3 43.5 -57.9 41.2 101 103 A D >> - 0 0 72 -2,-0.5 4,-1.9 1,-0.2 3,-1.6 -0.618 14.7-151.3 -72.9 113.6 43.2 -61.0 43.4 102 104 A S H 3>>S+ 0 0 41 -2,-0.7 4,-3.8 1,-0.3 5,-0.5 0.834 94.7 63.2 -55.1 -36.9 43.3 -63.9 41.0 103 105 A Q H 3>5S+ 0 0 144 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.836 106.9 46.0 -57.0 -32.8 41.2 -66.0 43.3 104 106 A V H <>5S+ 0 0 5 -3,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.963 118.6 39.1 -71.6 -55.7 38.4 -63.4 42.7 105 107 A L H X5S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.949 122.4 41.1 -60.0 -52.8 38.8 -63.3 39.0 106 108 A a H X5S+ 0 0 7 -4,-3.8 4,-2.1 1,-0.2 -1,-0.2 0.740 109.9 59.7 -73.6 -22.7 39.4 -67.0 38.5 107 109 A G H XS+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 5,-0.7 0.895 107.9 50.7 -62.2 -41.9 31.7 -70.5 38.5 112 114 A L H X5S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 5,-0.4 0.940 115.1 43.9 -58.8 -46.8 30.6 -69.5 35.0 113 115 A I H <5S+ 0 0 18 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.885 120.4 38.3 -66.2 -42.3 32.0 -72.7 33.6 114 116 A L H <5S+ 0 0 118 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.688 129.8 23.7 -87.6 -20.0 30.7 -75.1 36.3 115 117 A E H <5S+ 0 0 123 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.742 124.1 36.1-114.9 -34.9 27.3 -73.6 36.9 116 118 A K S < - 0 0 61 4,-3.9 3,-2.6 -2,-0.4 -2,-0.1 -0.527 28.1-102.9 -89.4 158.8 24.8 -75.8 29.0 119 121 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.773 121.0 53.6 -50.3 -32.8 25.9 -79.1 27.4 120 122 A D T 3 S- 0 0 76 2,-0.1 60,-0.1 59,-0.0 -3,-0.0 0.433 126.0 -97.9 -87.3 1.7 25.8 -77.7 23.9 121 123 A G S < S+ 0 0 0 -3,-2.6 60,-0.1 1,-0.3 56,-0.0 0.140 78.9 135.9 108.4 -18.1 28.1 -74.8 24.8 122 124 A V - 0 0 0 -5,-0.1 -4,-3.9 54,-0.1 2,-0.4 -0.278 47.8-138.0 -64.2 143.8 25.5 -72.1 25.5 123 125 A F B -B 117 0B 0 22,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.889 22.1-153.5-101.9 138.7 25.8 -69.8 28.5 124 126 A Q - 0 0 75 -8,-2.4 2,-0.6 -2,-0.4 -43,-0.0 -0.909 11.5-143.2-122.4 138.3 22.5 -69.1 30.3 125 127 A E + 0 0 35 -2,-0.4 -45,-0.1 1,-0.1 23,-0.0 -0.870 20.4 170.7 -97.4 123.0 21.3 -66.2 32.4 126 128 A D S S+ 0 0 87 -2,-0.6 -1,-0.1 -47,-0.3 -46,-0.1 0.472 77.8 35.0-108.1 -6.5 19.0 -67.3 35.3 127 129 A A S S- 0 0 8 -48,-0.1 -1,-0.2 -50,-0.1 -45,-0.1 -0.583 81.4-151.0-149.0 80.7 18.9 -63.9 37.1 128 130 A P - 0 0 69 0, 0.0 4,-0.1 0, 0.0 2,-0.1 -0.093 29.2-100.0 -51.6 147.4 18.9 -60.9 34.7 129 131 A V - 0 0 6 1,-0.1 3,-0.2 2,-0.1 6,-0.1 -0.362 20.1-132.3 -68.5 150.9 20.4 -57.6 35.9 130 132 A I S S+ 0 0 45 1,-0.2 2,-1.8 2,-0.1 -1,-0.1 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4,-0.5 1,-0.2 -2,-0.2 0.889 112.7 43.0 -60.7 -41.2 34.5 -64.2 20.0 201 203 A L H >X>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.7 0.873 110.3 56.9 -71.3 -38.4 35.3 -66.6 17.1 202 204 A A H ><5S+ 0 0 5 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.889 99.5 57.6 -62.0 -42.1 38.2 -64.4 16.0 203 205 A Q H 3<5S+ 0 0 36 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.800 111.6 45.5 -54.9 -28.8 39.9 -64.6 19.4 204 206 A M H <<5S- 0 0 42 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.583 113.1-119.0 -90.8 -14.9 39.8 -68.4 18.8 205 207 A G T <<5S+ 0 0 52 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.681 86.1 113.3 78.4 19.8 41.0 -68.3 15.2 206 208 A R < + 0 0 44 -5,-2.6 2,-1.0 -6,-0.1 -4,-0.2 0.228 38.8 99.3-109.9 11.8 37.7 -69.9 14.2 207 209 A L + 0 0 4 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.1 -0.788 61.9 112.3 -95.6 90.4 36.3 -66.9 12.3 208 210 A K >> + 0 0 115 -2,-1.0 3,-1.6 4,-0.0 4,-0.9 -0.888 52.9 13.8-150.0 178.1 37.1 -68.0 8.7 209 211 A G H 3> S- 0 0 50 1,-0.3 4,-2.4 -2,-0.3 5,-0.1 -0.240 128.2 -3.0 52.9-128.6 35.8 -69.2 5.4 210 212 A P H 3> S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.808 137.5 54.6 -64.8 -32.4 32.0 -68.6 5.0 211 213 A L H <> S+ 0 0 14 -3,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.950 109.7 45.9 -66.1 -49.8 31.8 -67.3 8.6 212 214 A L H X S+ 0 0 45 -4,-0.9 4,-2.4 1,-0.2 5,-0.2 0.921 112.3 52.6 -56.5 -45.8 34.5 -64.7 8.0 213 215 A N H X S+ 0 0 94 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.894 109.4 48.2 -59.3 -42.3 32.8 -63.8 4.7 214 216 A K H X S+ 0 0 29 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.921 109.6 53.6 -63.2 -43.3 29.4 -63.3 6.4 215 217 A F H < S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.919 114.2 41.0 -55.6 -46.7 31.1 -61.1 9.1 216 218 A L H >< S+ 0 0 42 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.887 115.3 48.3 -72.9 -41.1 32.7 -58.8 6.4 217 219 A T H 3< S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.690 98.6 70.6 -74.7 -17.9 29.6 -58.6 4.1 218 220 A T T 3< S+ 0 0 26 -4,-1.6 8,-0.3 -5,-0.2 -1,-0.2 0.768 82.8 92.6 -68.9 -25.1 27.3 -57.8 7.0 219 221 A A S < S- 0 0 14 -3,-0.8 2,-0.4 -4,-0.5 3,-0.3 -0.267 77.8-122.0 -70.3 155.0 28.9 -54.4 7.4 220 222 A K B >> S-C 224 0C 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