==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-MAR-12 4E4B . COMPND 2 MOLECULE: FAR1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR G.COX,T.A.EDWARDS,A.J.O'NEILL . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 18 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 1 0 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 0 2 1 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 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 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 A M 0 0 223 0, 0.0 3,-0.1 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 -30.6 -28.8 -2.2 -22.2 2 2 A K + 0 0 188 1,-0.1 47,-0.0 48,-0.0 48,-0.0 0.140 360.0 77.4-128.2 16.0 -26.7 -3.3 -25.2 3 3 A T S S+ 0 0 18 46,-0.1 2,-0.7 45,-0.1 -1,-0.1 -0.430 71.7 165.1-107.6 49.7 -23.5 -4.2 -23.2 4 4 A M - 0 0 60 -3,-0.1 2,-0.2 44,-0.1 79,-0.2 -0.612 15.4-174.3 -85.6 108.3 -25.3 -7.4 -22.2 5 5 A I B -a 83 0A 5 77,-2.0 79,-2.4 -2,-0.7 43,-0.1 -0.610 20.4-117.0 -97.6 158.2 -23.0 -10.1 -20.6 6 6 A Y > - 0 0 99 -2,-0.2 4,-2.3 77,-0.2 3,-0.4 -0.647 17.3-117.1-100.6 152.7 -24.1 -13.6 -19.7 7 7 A P H > S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.893 116.5 49.2 -47.7 -48.8 -24.2 -15.4 -16.3 8 8 A H H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.837 110.2 51.4 -65.8 -31.7 -21.6 -18.0 -17.4 9 9 A Q H > S+ 0 0 46 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.851 106.7 55.1 -69.9 -35.1 -19.4 -15.2 -18.7 10 10 A Y H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.946 106.8 49.0 -61.2 -50.0 -19.7 -13.6 -15.3 11 11 A N H X S+ 0 0 6 -4,-2.2 4,-2.7 188,-0.2 -1,-0.2 0.868 109.0 53.6 -57.7 -39.5 -18.5 -16.7 -13.5 12 12 A Y H X S+ 0 0 72 -4,-1.6 4,-2.4 188,-0.2 5,-0.3 0.958 109.6 48.0 -56.8 -51.7 -15.5 -16.9 -15.9 13 13 A I H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.880 112.7 48.7 -57.9 -42.0 -14.7 -13.3 -15.0 14 14 A R H X S+ 0 0 106 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.912 110.5 51.5 -60.9 -43.5 -15.0 -14.1 -11.3 15 15 A S H X S+ 0 0 37 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.873 111.5 44.9 -67.9 -40.1 -12.8 -17.2 -11.7 16 16 A V H X S+ 0 0 18 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.840 112.8 53.2 -71.1 -34.5 -9.9 -15.4 -13.4 17 17 A I H X S+ 0 0 4 -4,-1.8 4,-1.3 -5,-0.3 3,-0.5 0.950 109.5 46.4 -61.7 -51.4 -10.2 -12.5 -10.9 18 18 A L H < S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.684 106.9 61.0 -68.0 -17.5 -9.9 -14.9 -7.9 19 19 A R H >X S+ 0 0 158 -4,-0.7 4,-1.2 -5,-0.2 3,-0.9 0.880 102.9 51.1 -69.0 -40.7 -7.0 -16.5 -9.8 20 20 A L H 3< S+ 0 0 3 -4,-1.4 4,-0.4 -3,-0.5 -2,-0.2 0.810 103.5 55.8 -69.5 -33.1 -5.2 -13.1 -9.7 21 21 A K T 3< S+ 0 0 44 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.547 108.0 52.6 -75.9 -6.4 -5.6 -12.7 -5.9 22 22 A N T X> S+ 0 0 85 -3,-0.9 4,-2.8 -5,-0.2 3,-1.5 0.728 99.1 58.8 -96.4 -29.3 -3.9 -16.1 -5.6 23 23 A V T 3< S+ 0 0 14 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.573 100.3 60.4 -74.0 -9.3 -0.8 -15.1 -7.7 24 24 A Y T 34 S+ 0 0 21 -4,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.334 117.2 31.4 -90.5 3.4 -0.4 -12.4 -5.1 25 25 A K T <4 S+ 0 0 139 -3,-1.5 -2,-0.2 0, 0.0 -3,-0.1 0.617 129.2 28.0-127.6 -33.7 -0.1 -15.3 -2.5 26 26 A T S < S+ 0 0 109 -4,-2.8 2,-0.2 1,-0.0 -3,-0.2 0.861 100.3 73.3-103.3 -48.4 1.5 -18.3 -4.3 27 27 A V - 0 0 55 -5,-0.4 -1,-0.0 1,-0.1 6,-0.0 -0.528 46.0-177.6 -81.7 137.0 3.8 -17.1 -7.2 28 28 A N + 0 0 159 -2,-0.2 -1,-0.1 -3,-0.0 2,-0.1 0.807 50.8 102.2 -95.8 -39.7 7.2 -15.5 -6.4 29 29 A D > - 0 0 66 1,-0.1 4,-1.2 2,-0.1 3,-0.3 -0.263 56.4-155.9 -59.2 123.7 8.4 -14.7 -10.0 30 30 A K H > S+ 0 0 154 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.832 92.2 54.9 -67.0 -35.2 8.0 -11.0 -10.8 31 31 A E H > S+ 0 0 120 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.739 103.4 54.6 -74.4 -26.1 7.9 -11.6 -14.6 32 32 A T H > S+ 0 0 45 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.896 100.6 58.1 -74.3 -43.7 5.1 -14.2 -14.4 33 33 A V H X S+ 0 0 16 -4,-1.2 4,-2.0 1,-0.2 5,-0.2 0.794 101.8 60.7 -54.5 -32.2 2.7 -11.7 -12.6 34 34 A K H X S+ 0 0 137 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.976 110.1 35.1 -58.9 -60.1 3.2 -9.4 -15.6 35 35 A V H X S+ 0 0 82 -4,-1.0 4,-3.2 2,-0.2 -2,-0.2 0.857 116.3 54.3 -71.1 -38.4 1.8 -11.7 -18.3 36 36 A I H X S+ 0 0 48 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.970 110.7 46.3 -56.8 -56.0 -0.9 -13.3 -16.1 37 37 A Q H X S+ 0 0 19 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.926 117.1 45.1 -49.5 -50.6 -2.2 -9.8 -15.2 38 38 A S H X S+ 0 0 61 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.864 108.9 56.7 -62.5 -39.7 -2.1 -8.9 -18.9 39 39 A E H X S+ 0 0 111 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.882 110.2 43.1 -62.4 -41.9 -3.6 -12.2 -20.0 40 40 A T H X S+ 0 0 13 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.767 106.9 62.0 -77.5 -27.6 -6.8 -11.7 -17.9 41 41 A Y H X S+ 0 0 43 -4,-1.5 4,-1.2 -5,-0.3 -2,-0.2 0.902 105.6 46.2 -61.7 -43.6 -7.1 -8.0 -18.9 42 42 A N H X S+ 0 0 76 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.814 110.6 55.1 -68.0 -33.5 -7.5 -9.1 -22.5 43 43 A D H X S+ 0 0 47 -4,-1.0 4,-1.3 -5,-0.2 3,-0.5 0.982 104.0 51.1 -63.0 -59.4 -10.1 -11.7 -21.6 44 44 A I H >X S+ 0 0 3 -4,-2.0 3,-1.1 1,-0.3 4,-0.9 0.891 113.6 41.4 -48.1 -59.9 -12.5 -9.5 -19.6 45 45 A N H 3< S+ 0 0 53 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.762 109.6 60.1 -64.3 -27.8 -13.0 -6.8 -22.2 46 46 A E H 3< S+ 0 0 141 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.754 99.8 57.2 -69.1 -26.2 -13.2 -9.3 -25.1 47 47 A I H << S+ 0 0 41 -4,-1.3 -1,-0.2 -3,-1.1 -2,-0.2 0.803 97.8 75.6 -76.0 -30.9 -16.2 -10.9 -23.4 48 48 A F S < S- 0 0 14 -4,-0.9 3,-0.2 1,-0.1 -45,-0.1 -0.282 84.5-127.2 -70.8 163.2 -18.1 -7.6 -23.5 49 49 A G S S- 0 0 71 1,-0.4 2,-0.3 -2,-0.0 -1,-0.1 0.929 90.7 -11.7 -73.8 -52.5 -19.7 -6.2 -26.7 50 50 A H S S- 0 0 106 -3,-0.0 2,-0.6 -48,-0.0 -1,-0.4 -0.983 75.6-107.5-147.8 144.7 -17.9 -2.9 -26.2 51 51 A I - 0 0 94 -2,-0.3 -6,-0.0 -3,-0.2 4,-0.0 -0.620 44.4-164.3 -74.4 116.5 -16.0 -1.3 -23.3 52 52 A D - 0 0 21 -2,-0.6 3,-0.3 -49,-0.1 4,-0.3 0.331 33.1 -82.6 -83.2-149.8 -18.2 1.4 -21.8 53 53 A D S >> S+ 0 0 136 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.926 124.7 44.4 -87.6 -56.7 -17.5 4.3 -19.4 54 54 A D T 34 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 -0.026 101.0 75.2 -80.9 31.8 -17.6 2.6 -16.0 55 55 A I T 3> S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.1 -1,-0.2 0.586 92.4 50.4-107.7 -27.6 -15.5 -0.1 -17.5 56 56 A E H <> S+ 0 0 112 -3,-1.3 4,-2.0 -4,-0.3 -2,-0.2 0.975 110.6 49.1 -67.4 -59.3 -12.4 2.0 -17.4 57 57 A E H X S+ 0 0 77 -4,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.801 114.1 48.8 -44.5 -37.9 -13.0 2.8 -13.8 58 58 A S H > S+ 0 0 4 2,-0.2 4,-0.6 1,-0.2 3,-0.3 0.901 107.9 49.3 -77.1 -45.8 -13.5 -0.9 -13.1 59 59 A L H X S+ 0 0 27 -4,-2.0 4,-0.8 1,-0.2 3,-0.4 0.771 103.5 65.9 -64.6 -27.4 -10.4 -2.3 -14.9 60 60 A K H >X S+ 0 0 117 -4,-2.0 3,-1.6 1,-0.2 4,-0.5 0.935 91.0 61.7 -53.8 -52.3 -8.4 0.3 -12.9 61 61 A V H 3< S+ 0 0 41 -4,-0.9 3,-0.3 -3,-0.3 -1,-0.2 0.800 103.8 49.3 -50.2 -36.3 -9.2 -1.4 -9.6 62 62 A L H 3< S+ 0 0 2 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.742 88.5 86.3 -76.3 -25.6 -7.4 -4.6 -10.7 63 63 A M H << + 0 0 119 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.850 62.2 102.0 -42.9 -54.5 -4.2 -2.7 -11.9 64 64 A N S < S- 0 0 58 -4,-0.5 3,-0.1 -3,-0.3 0, 0.0 0.035 75.7-132.5 -42.7 133.7 -2.5 -2.7 -8.5 65 65 A I S S+ 0 0 96 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.594 99.7 44.0 -67.4 -12.1 0.2 -5.3 -8.1 66 66 A R S S- 0 0 198 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.898 74.6-174.4-137.6 110.4 -1.4 -6.2 -4.7 67 67 A L - 0 0 8 -2,-0.3 2,-0.3 -47,-0.2 -5,-0.1 -0.442 13.4-136.2 -91.8 168.9 -5.2 -6.5 -4.4 68 68 A S > - 0 0 61 -2,-0.1 4,-1.1 1,-0.0 3,-0.3 -0.812 22.5-113.6-125.1 166.5 -7.3 -7.0 -1.3 69 69 A N H > S+ 0 0 109 -2,-0.3 4,-0.7 1,-0.2 -1,-0.0 0.738 119.4 47.2 -73.0 -24.1 -10.3 -9.1 -0.3 70 70 A K H 4 S+ 0 0 172 2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.598 104.3 64.0 -87.7 -15.0 -12.6 -6.1 0.1 71 71 A E H 4 S+ 0 0 54 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.820 98.6 53.1 -73.7 -34.5 -11.3 -4.8 -3.2 72 72 A I H X S+ 0 0 30 -4,-1.1 4,-3.2 3,-0.1 2,-1.3 0.925 85.4 82.1 -71.0 -46.3 -12.8 -7.7 -5.2 73 73 A E T < S+ 0 0 106 -4,-0.7 -1,-0.1 1,-0.3 -4,-0.0 -0.462 108.4 21.3 -61.6 93.7 -16.4 -7.4 -3.8 74 74 A A T 4 S+ 0 0 45 -2,-1.3 -1,-0.3 -16,-0.0 2,-0.0 0.894 104.0 67.6 53.6 103.2 -17.0 -4.7 -6.4 75 75 A I T > S+ 0 0 6 -3,-0.5 4,-2.2 -17,-0.0 3,-0.3 -0.584 122.5 32.3 -29.0 -59.2 -15.1 -4.8 -8.7 76 76 A L H X S+ 0 0 18 -4,-3.2 4,-1.9 1,-0.3 -3,-0.2 0.887 120.3 48.9 -55.0 -52.9 -17.4 -7.9 -8.8 77 77 A N H > S+ 0 0 101 -5,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.855 113.7 49.5 -54.4 -38.0 -20.6 -6.4 -7.2 78 78 A K H >4 S+ 0 0 42 -3,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.865 109.2 52.5 -68.0 -37.2 -20.1 -3.5 -9.8 79 79 A F H >< S+ 0 0 6 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.814 95.1 71.0 -65.7 -32.7 -19.7 -6.2 -12.6 80 80 A L H >< S+ 0 0 18 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.766 83.7 67.6 -58.5 -31.9 -23.0 -7.9 -11.6 81 81 A E T << S+ 0 0 172 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.293 93.4 62.7 -76.3 12.5 -25.2 -5.1 -12.9 82 82 A Y T < S+ 0 0 59 -3,-1.6 -77,-2.0 -78,-0.1 -1,-0.3 0.461 83.5 100.7-107.7 -6.9 -24.1 -5.9 -16.4 83 83 A V B < -a 5 0A 10 -3,-1.5 -77,-0.2 -79,-0.2 -79,-0.1 -0.553 69.3-131.3 -89.0 141.1 -25.5 -9.5 -16.5 84 84 A V - 0 0 41 -79,-2.4 3,-0.1 -2,-0.2 -2,-0.1 -0.826 34.3-133.8 -82.0 121.6 -28.7 -10.6 -18.2 85 85 A P - 0 0 63 0, 0.0 30,-0.2 0, 0.0 2,-0.2 -0.277 28.5 -86.3 -72.8 162.8 -30.5 -12.7 -15.5 86 86 A F - 0 0 13 28,-2.1 2,-1.3 1,-0.1 28,-0.1 -0.494 44.1-120.2 -65.5 136.7 -32.1 -16.1 -16.2 87 87 A E - 0 0 66 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.678 26.6-154.2 -87.0 92.8 -35.6 -15.6 -17.5 88 88 A L - 0 0 59 -2,-1.3 26,-0.0 1,-0.1 -1,-0.0 -0.545 17.3-139.7 -70.9 122.2 -37.8 -17.4 -14.9 89 89 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.132 14.3 -98.8 -79.7 173.8 -41.0 -18.5 -16.6 90 90 A S >> - 0 0 36 1,-0.1 4,-1.1 -2,-0.0 3,-0.8 -0.766 33.2-114.3 -93.1 140.1 -44.7 -18.6 -15.5 91 91 A P H 3> S+ 0 0 81 0, 0.0 4,-1.2 0, 0.0 13,-0.1 0.609 114.7 60.0 -47.6 -17.4 -46.2 -21.9 -14.2 92 92 A Q H 3> S+ 0 0 161 2,-0.2 4,-0.7 1,-0.2 11,-0.0 0.935 112.5 32.5 -77.9 -51.7 -48.5 -21.8 -17.3 93 93 A K H <4 S+ 0 0 90 -3,-0.8 -1,-0.2 2,-0.2 4,-0.1 0.372 119.7 56.6 -86.4 2.4 -45.8 -21.8 -20.0 94 94 A L H >X S+ 0 0 2 -4,-1.1 4,-1.9 2,-0.2 3,-0.8 0.729 99.4 57.4 -93.9 -37.9 -43.8 -24.0 -17.6 95 95 A Q H 3< S+ 0 0 59 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.1 0.783 101.8 57.9 -60.0 -28.9 -46.6 -26.5 -17.4 96 96 A K T >< S+ 0 0 119 -4,-0.7 3,-0.6 1,-0.1 -1,-0.2 0.772 103.5 52.7 -70.5 -27.7 -46.2 -26.8 -21.2 97 97 A V T <4 S+ 0 0 27 -3,-0.8 2,-0.8 1,-0.3 -2,-0.2 0.955 122.6 28.0 -73.7 -54.2 -42.6 -27.8 -20.7 98 98 A F T 3< S+ 0 0 8 -4,-1.9 -1,-0.3 1,-0.1 6,-0.3 -0.757 80.9 169.2-102.2 79.0 -43.4 -30.6 -18.3 99 99 A K S < S+ 0 0 152 -2,-0.8 -1,-0.1 -3,-0.6 4,-0.1 0.613 72.4 47.4 -69.5 -13.1 -46.8 -31.2 -19.8 100 100 A K S S+ 0 0 154 -3,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.758 87.5 93.6-101.0 -31.9 -47.3 -34.4 -17.8 101 101 A V S S- 0 0 18 -3,-0.2 2,-0.8 -6,-0.1 3,-0.4 -0.440 88.5-105.2 -68.3 135.2 -46.2 -33.3 -14.3 102 102 A K S S- 0 0 173 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.504 75.4 -53.0 -70.3 104.2 -49.1 -32.2 -12.1 103 103 A K S S- 0 0 188 -2,-0.8 -1,-0.2 1,-0.1 -4,-0.1 0.766 76.0-156.4 23.8 63.3 -48.9 -28.4 -11.8 104 104 A I - 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0 0 151 -2,-0.6 2,-0.2 -7,-0.3 -7,-0.1 -0.921 15.0-170.3-137.6 109.5 -36.5 -47.5 -22.4 182 182 A V - 0 0 80 -2,-0.4 -9,-2.1 -10,-0.1 2,-0.4 -0.584 28.1-110.9 -93.5 156.2 -33.1 -47.6 -20.6 183 183 A K E -F 172 0B 102 -11,-0.2 2,-0.3 -2,-0.2 -11,-0.2 -0.764 31.7-173.3 -96.2 132.6 -31.8 -45.0 -18.2 184 184 A K E +F 171 0B 78 -13,-2.7 -13,-3.3 -2,-0.4 2,-0.3 -0.920 26.5 95.8-121.6 146.5 -28.9 -42.7 -19.0 185 185 A G E -F 170 0B 33 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.980 38.3-141.7 167.3-168.7 -27.0 -40.2 -16.9 186 186 A D E -F 169 0B 67 -17,-1.3 -17,-3.4 -2,-0.3 2,-0.3 -0.923 44.2 -52.0-162.9-175.4 -24.0 -39.4 -14.7 187 187 A Y E +F 168 0B 97 -19,-0.3 -29,-2.5 -2,-0.3 2,-0.3 -0.567 55.7 165.5 -74.4 132.2 -22.9 -37.5 -11.6 188 188 A I E -F 167 0B 1 -21,-1.7 -21,-2.1 -2,-0.3 -31,-0.1 -0.978 48.1 -72.2-141.8 153.5 -23.8 -33.9 -11.3 189 189 A C E -F 166 0B 1 -2,-0.3 -23,-0.2 -23,-0.2 6,-0.1 -0.176 36.5-144.6 -42.4 123.1 -23.9 -31.3 -8.5 190 190 A R S S+ 0 0 43 -25,-2.5 2,-0.7 1,-0.2 -1,-0.1 0.922 94.0 52.9 -61.1 -45.3 -26.8 -32.1 -6.2 191 191 A D S > S- 0 0 81 -26,-0.4 4,-1.5 1,-0.1 3,-0.3 -0.849 75.8-162.9 -94.0 112.4 -27.4 -28.3 -5.7 192 192 A S H > S+ 0 0 4 -2,-0.7 4,-2.6 -71,-0.4 -73,-0.2 0.726 83.4 62.9 -73.2 -24.0 -27.7 -26.8 -9.1 193 193 A I H > S+ 0 0 46 2,-0.2 4,-2.5 -72,-0.2 -1,-0.2 0.913 105.9 47.4 -67.5 -38.3 -27.1 -23.2 -8.1 194 194 A H H > S+ 0 0 72 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.914 109.8 53.3 -62.8 -44.9 -23.6 -24.1 -6.9 195 195 A C H >< S+ 0 0 1 -4,-1.5 3,-0.9 1,-0.2 4,-0.3 0.945 111.0 46.6 -51.0 -54.5 -23.1 -26.0 -10.2 196 196 A N H >< S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.888 102.9 62.9 -53.9 -47.5 -24.1 -22.7 -12.0 197 197 A K H 3< S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 115.4 33.5 -50.5 -31.2 -21.8 -20.6 -9.8 198 198 A Q T << S+ 0 0 29 -4,-1.2 2,-1.3 -3,-0.9 -1,-0.3 0.310 85.6 116.4-112.7 7.4 -18.9 -22.6 -11.3 199 199 A L < + 0 0 0 -3,-1.5 -188,-0.2 -4,-0.3 -187,-0.2 -0.654 35.0 170.6 -75.3 95.3 -20.4 -23.1 -14.7 200 200 A T + 0 0 49 -2,-1.3 2,-0.4 -40,-0.2 -188,-0.2 0.732 64.6 34.4 -80.2 -26.7 -17.7 -21.2 -16.7 201 201 A D >> - 0 0 69 -3,-0.1 3,-1.4 1,-0.1 4,-0.6 -0.967 67.4-146.1-139.6 121.2 -18.9 -22.2 -20.2 202 202 A I H 3> S+ 0 0 32 -2,-0.4 4,-1.6 1,-0.3 3,-0.2 0.685 96.1 65.4 -61.1 -20.9 -22.5 -22.8 -21.3 203 203 A N H 3> S+ 0 0 79 2,-0.2 4,-3.8 1,-0.2 -1,-0.3 0.850 87.7 68.0 -70.6 -34.3 -21.5 -25.6 -23.7 204 204 A Q H <> S+ 0 0 52 -3,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.909 107.0 41.5 -46.2 -48.6 -20.3 -27.9 -20.9 205 205 A F H X S+ 0 0 0 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.884 112.4 52.8 -68.0 -43.1 -24.0 -28.1 -19.9 206 206 A Y H X S+ 0 0 29 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.916 107.4 54.1 -60.4 -40.6 -25.2 -28.4 -23.5 207 207 A N H < S+ 0 0 105 -4,-3.8 -1,-0.2 1,-0.2 4,-0.2 0.869 105.8 52.2 -60.8 -39.4 -22.8 -31.3 -23.9 208 208 A F H >X S+ 0 0 2 -4,-1.4 3,-1.2 -5,-0.2 4,-0.7 0.924 109.7 48.3 -61.6 -47.1 -24.2 -33.0 -20.8 209 209 A I H >X S+ 0 0 11 -4,-2.0 4,-1.7 1,-0.3 3,-1.3 0.909 108.0 54.3 -60.4 -43.7 -27.8 -32.8 -22.2 210 210 A D H 3< S+ 0 0 99 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.521 103.5 59.3 -68.9 -7.1 -26.7 -34.1 -25.6 211 211 A K H <4 S+ 0 0 119 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.689 107.5 45.4 -84.5 -25.7 -25.3 -37.0 -23.5 212 212 A L H << 0 0 2 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.854 360.0 360.0 -88.4 -39.1 -28.8 -37.8 -22.2 213 213 A D < 0 0 113 -4,-1.7 -40,-0.1 -40,-0.1 -42,-0.0 0.056 360.0 360.0 -59.5 360.0 -31.0 -37.7 -25.3