==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-MAR-06 2GDS . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.PERRY . 792 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 580 73.2 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 . 76 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 32 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.2 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 5 3 3 0 4 6 4 0 2 1 3 0 0 0 0 0 4 0 3 0 0 0 1 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 . 4 0 0 0 0 4 0 4 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 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 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 K 0 0 200 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 114.6 30.9 39.3 -10.6 2 2 A H - 0 0 29 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.850 360.0-163.4-115.4 155.2 33.0 40.2 -7.5 3 3 A S - 0 0 87 -2,-0.3 29,-0.0 36,-0.0 33,-0.0 -0.960 28.8-105.1-139.8 154.9 36.7 39.9 -7.0 4 4 A L - 0 0 59 -2,-0.3 2,-0.1 28,-0.1 28,-0.1 -0.680 42.0-141.1 -78.9 113.1 39.3 39.9 -4.2 5 5 A P - 0 0 47 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.437 16.4-112.4 -75.9 152.7 41.0 43.3 -4.2 6 6 A D - 0 0 144 -2,-0.1 72,-0.0 1,-0.1 0, 0.0 -0.404 30.5-107.6 -76.9 161.0 44.7 43.6 -3.6 7 7 A L - 0 0 26 2,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.672 20.7-128.7 -87.9 139.7 46.0 45.4 -0.4 8 8 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.115 95.6 28.6 -77.2 25.9 47.6 48.8 -1.1 9 9 A Y S S- 0 0 25 73,-0.1 -2,-0.1 74,-0.0 5,-0.0 -0.921 98.0 -88.0-170.2 159.8 50.7 47.6 0.9 10 10 A D > - 0 0 118 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.282 45.9 -91.2 -80.8 168.9 52.2 44.1 1.5 11 11 A Y T 3 S+ 0 0 77 1,-0.3 3,-0.3 2,-0.1 12,-0.3 0.714 123.5 39.6 -47.0 -34.8 51.5 41.6 4.2 12 12 A G T > S+ 0 0 28 1,-0.2 3,-1.0 11,-0.1 -1,-0.3 0.152 83.0 105.4-106.9 22.0 54.1 42.8 6.7 13 13 A A T < S+ 0 0 24 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.668 74.6 57.4 -73.5 -18.5 53.6 46.5 6.1 14 14 A L T >> S+ 0 0 0 4,-0.3 4,-1.8 -3,-0.3 3,-0.8 0.277 87.3 169.6 -99.8 13.5 51.7 47.1 9.4 15 15 A E T <4 + 0 0 98 -3,-1.0 4,-0.1 1,-0.3 -3,-0.0 -0.386 58.0 14.6 -69.0 144.3 54.4 45.8 11.7 16 16 A P T 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.991 127.7 52.9 -90.1 2.9 54.7 45.9 14.6 17 17 A H T <4 S+ 0 0 45 -3,-0.8 2,-0.4 1,-0.2 -2,-0.2 0.866 125.1 13.2 -61.4 -47.8 51.0 46.9 15.0 18 18 A I S < S- 0 0 1 -4,-1.8 -4,-0.3 161,-0.1 -1,-0.2 -0.973 90.1-127.2-133.2 116.7 49.4 44.0 13.0 19 19 A N > - 0 0 31 -2,-0.4 4,-2.3 -3,-0.2 3,-0.5 -0.214 16.8-114.9 -69.1 154.9 51.7 41.1 12.1 20 20 A A H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.826 113.8 56.8 -54.6 -38.5 52.2 39.7 8.6 21 21 A Q H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.889 109.0 46.6 -64.2 -38.2 50.6 36.4 9.5 22 22 A I H > S+ 0 0 2 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.980 115.4 45.8 -64.3 -56.5 47.4 38.1 10.5 23 23 A M H X S+ 0 0 1 -4,-2.3 4,-2.2 -12,-0.3 5,-0.3 0.899 115.9 46.9 -51.9 -46.9 47.4 40.3 7.4 24 24 A Q H X S+ 0 0 92 -4,-3.1 4,-2.3 -13,-0.2 5,-0.3 0.933 117.0 40.0 -63.7 -52.1 48.2 37.3 5.2 25 25 A L H X>S+ 0 0 18 -4,-2.5 5,-1.5 -5,-0.2 4,-1.2 0.842 115.0 53.8 -67.6 -35.2 45.6 34.8 6.6 26 26 A H H <>S+ 0 0 1 -4,-2.8 5,-2.6 -5,-0.3 6,-0.2 0.942 119.6 31.6 -65.4 -49.2 42.9 37.5 6.9 27 27 A H H <>S+ 0 0 11 -4,-2.2 5,-1.1 -5,-0.3 -2,-0.2 0.974 126.0 38.9 -74.3 -57.0 43.2 38.6 3.3 28 28 A S H <5S+ 0 0 35 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.646 131.7 24.1 -70.3 -21.3 44.1 35.4 1.5 29 29 A K T X5S+ 0 0 95 -4,-1.2 4,-1.9 -5,-0.3 -3,-0.2 0.774 127.2 30.0-107.6 -72.5 41.9 33.2 3.6 30 30 A N H >S+ 0 0 5 -4,-1.4 5,-2.7 2,-0.2 4,-0.5 0.792 112.2 55.4 -77.1 -32.9 15.6 31.2 -7.3 49 49 A L H <5S+ 0 0 9 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.782 106.8 53.3 -69.7 -25.9 14.5 34.7 -8.2 50 50 A A T <5S+ 0 0 79 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.650 113.5 40.5 -81.9 -21.3 13.9 33.4 -11.7 51 51 A K T 5S- 0 0 146 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.350 110.0-119.3-107.2 4.5 11.7 30.6 -10.4 52 52 A G T 5 + 0 0 22 -4,-0.5 2,-1.2 1,-0.2 -3,-0.2 0.880 53.8 161.4 59.8 38.9 9.9 32.7 -7.8 53 53 A D >< + 0 0 66 -5,-2.7 4,-2.4 1,-0.2 -1,-0.2 -0.754 11.4 173.9 -94.4 88.8 11.1 30.5 -5.0 54 54 A V H > S+ 0 0 9 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.871 78.7 56.1 -61.9 -39.4 10.6 32.8 -2.0 55 55 A T H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 109.9 45.9 -60.9 -41.0 11.6 30.0 0.4 56 56 A A H > S+ 0 0 23 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.925 110.1 53.2 -69.2 -43.6 14.9 29.6 -1.4 57 57 A Q H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 3,-0.3 0.845 113.9 43.9 -58.8 -34.1 15.5 33.3 -1.5 58 58 A I H >< S+ 0 0 2 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.835 108.4 54.9 -81.2 -34.6 15.0 33.4 2.3 59 59 A A H 3< S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.505 109.0 53.3 -77.2 -0.4 17.1 30.3 3.1 60 60 A L T 3X S+ 0 0 32 -4,-0.5 4,-1.7 -3,-0.3 -1,-0.2 0.519 84.5 88.2-107.0 -14.2 19.9 32.1 1.1 61 61 A Q H <> S+ 0 0 14 -3,-0.8 4,-2.8 -4,-0.3 5,-0.4 0.889 83.0 52.6 -56.5 -49.4 19.8 35.3 3.1 62 62 A P H > S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.934 111.4 47.9 -57.5 -39.4 22.2 34.4 5.9 63 63 A A H > S+ 0 0 26 1,-0.2 4,-2.1 -4,-0.2 5,-0.5 0.864 113.6 49.1 -67.6 -33.4 24.9 33.4 3.4 64 64 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 5,-0.4 0.910 115.2 40.3 -73.7 -44.3 24.3 36.6 1.4 65 65 A K H X S+ 0 0 54 -4,-2.8 4,-2.4 3,-0.2 5,-0.3 0.923 120.0 46.8 -69.3 -42.8 24.6 39.0 4.4 66 66 A F H X S+ 0 0 25 -4,-2.4 4,-1.7 -5,-0.4 -2,-0.2 0.960 124.6 28.4 -63.6 -56.7 27.4 37.1 5.9 67 67 A N H X S+ 0 0 13 -4,-2.1 4,-1.7 -5,-0.3 -29,-0.2 0.864 125.5 48.1 -75.7 -36.1 29.6 36.6 2.9 68 68 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.5 -3,-0.2 0.921 116.9 41.6 -70.0 -44.6 28.4 39.7 1.1 69 69 A G H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.4 5,-0.2 0.856 110.3 58.8 -69.3 -35.8 28.9 41.9 4.2 70 70 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.901 109.1 45.4 -58.7 -38.7 32.2 40.1 4.9 71 71 A H H X S+ 0 0 19 -4,-1.7 4,-1.8 -37,-0.2 -2,-0.2 0.913 114.8 45.7 -70.8 -45.3 33.3 41.3 1.4 72 72 A I H X S+ 0 0 33 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.925 114.0 50.9 -63.5 -46.4 32.0 44.9 2.0 73 73 A N H X S+ 0 0 1 -4,-3.3 4,-2.2 70,-0.2 3,-0.2 0.941 113.3 40.3 -55.9 -58.6 33.5 45.1 5.4 74 74 A H H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.837 108.4 59.8 -65.2 -36.6 37.1 43.9 4.7 75 75 A S H X S+ 0 0 29 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.898 111.6 42.6 -59.8 -37.7 37.4 45.8 1.4 76 76 A I H X S+ 0 0 14 -4,-1.4 4,-2.0 -3,-0.2 -2,-0.2 0.920 111.3 55.9 -73.2 -43.3 36.8 49.0 3.4 77 77 A F H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.920 102.3 55.1 -54.0 -51.6 39.1 47.9 6.2 78 78 A W H >< S+ 0 0 3 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.933 111.6 43.9 -49.2 -51.4 42.1 47.3 3.9 79 79 A T H 3< S+ 0 0 37 -4,-1.2 -1,-0.3 1,-0.3 109,-0.2 0.830 105.0 63.6 -65.9 -32.5 41.9 50.9 2.6 80 80 A N H 3< S+ 0 0 0 -4,-2.0 105,-3.4 -3,-0.1 2,-0.3 0.667 99.2 66.1 -66.6 -16.4 41.3 52.2 6.2 81 81 A L B << +A 184 0A 2 -3,-1.2 103,-0.2 -4,-0.9 -67,-0.0 -0.708 61.4 165.9-104.5 158.9 44.8 51.0 7.1 82 82 A S > - 0 0 10 101,-2.5 3,-1.2 -2,-0.3 -73,-0.1 -0.965 45.9-127.2-169.5 148.9 48.2 52.2 5.9 83 83 A P T 3 S+ 0 0 66 0, 0.0 101,-0.1 0, 0.0 -1,-0.1 0.631 117.0 49.5 -76.1 -10.6 52.0 52.0 6.6 84 84 A N T 3 S+ 0 0 148 99,-0.1 99,-0.1 -3,-0.0 100,-0.1 0.162 97.8 103.8-108.4 12.7 51.9 55.9 6.4 85 85 A G < + 0 0 26 -3,-1.2 100,-0.2 98,-0.1 98,-0.1 0.176 34.3 79.2 -82.6-160.0 48.9 56.2 8.8 86 86 A G + 0 0 18 98,-1.6 2,-0.3 94,-0.1 100,-0.2 -0.312 55.5 76.7 90.6-177.3 48.4 57.1 12.4 87 87 A G S S- 0 0 58 -2,-0.1 -1,-0.1 94,-0.1 97,-0.1 -0.577 91.1 -50.2 78.8-134.5 48.2 60.5 14.1 88 88 A E - 0 0 99 -2,-0.3 6,-0.1 -3,-0.1 98,-0.0 -0.983 50.6-106.9-142.8 151.1 45.0 62.5 13.6 89 89 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.154 34.4-140.6 -71.0 170.0 42.8 63.6 10.6 90 90 A K > + 0 0 162 96,-0.2 3,-0.9 4,-0.0 4,-0.3 -0.835 50.2 16.1-132.0 168.7 42.7 67.2 9.3 91 91 A G T >> S- 0 0 52 -2,-0.3 4,-1.3 1,-0.2 3,-0.7 -0.341 119.2 -17.1 71.9-152.3 40.3 69.7 8.0 92 92 A E H 3> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.634 129.7 66.4 -64.6 -17.2 36.6 69.4 8.4 93 93 A L H <> S+ 0 0 1 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.937 105.0 44.9 -69.2 -43.6 36.8 65.7 9.3 94 94 A L H <> S+ 0 0 25 -3,-0.7 4,-2.0 -4,-0.3 -2,-0.2 0.855 113.5 50.6 -64.9 -38.5 38.6 66.7 12.5 95 95 A E H X S+ 0 0 101 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.856 108.2 51.0 -67.5 -38.1 36.1 69.4 13.1 96 96 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 39,-0.3 0.758 110.1 51.8 -69.5 -27.7 33.1 67.1 12.7 97 97 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.898 112.0 45.0 -73.7 -42.5 34.8 64.8 15.2 98 98 A K H X S+ 0 0 89 -4,-2.0 4,-2.1 3,-0.2 -2,-0.2 0.940 116.9 45.5 -66.4 -46.8 35.2 67.6 17.7 99 99 A R H < S+ 0 0 141 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.950 121.4 37.2 -61.2 -49.3 31.7 68.8 17.2 100 100 A D H < S+ 0 0 14 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.807 135.5 17.8 -77.0 -31.9 30.1 65.4 17.3 101 101 A F H < S- 0 0 11 -4,-2.7 2,-0.7 -5,-0.1 -3,-0.2 0.375 99.0-115.9-123.4 3.1 32.3 63.7 20.0 102 102 A G S < S- 0 0 41 -4,-2.1 2,-0.3 -5,-0.3 -4,-0.2 -0.335 83.1 -1.2 94.1 -52.5 33.9 66.7 21.8 103 103 A S S > S- 0 0 33 -2,-0.7 4,-2.5 -6,-0.3 5,-0.2 -0.964 75.2 -97.8-160.6 170.3 37.5 65.9 20.9 104 104 A F H > S+ 0 0 7 -2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.907 123.7 49.0 -63.7 -41.0 39.7 63.4 19.0 105 105 A D H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 110.4 49.7 -67.3 -37.9 40.6 61.6 22.3 106 106 A K H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.925 112.2 49.0 -65.4 -41.8 36.9 61.5 23.3 107 107 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.877 108.9 54.0 -63.0 -38.7 36.2 60.0 19.8 108 108 A K H X S+ 0 0 64 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.982 110.3 44.9 -58.3 -57.9 39.0 57.5 20.3 109 109 A E H X S+ 0 0 129 -4,-2.3 4,-3.4 1,-0.2 -2,-0.2 0.876 112.5 52.4 -53.2 -46.4 37.6 56.2 23.6 110 110 A K H X S+ 0 0 60 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.914 115.0 39.5 -58.8 -49.3 34.1 56.0 22.2 111 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.858 117.0 51.4 -71.0 -33.7 35.1 54.0 19.1 112 112 A T H X S+ 0 0 37 -4,-3.1 4,-2.8 -5,-0.3 5,-0.2 0.919 111.5 48.2 -66.9 -41.2 37.5 52.0 21.3 113 113 A A H X S+ 0 0 63 -4,-3.4 4,-1.7 -5,-0.2 -2,-0.2 0.898 112.2 48.1 -64.6 -42.5 34.6 51.3 23.7 114 114 A A H < S+ 0 0 25 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.851 115.5 45.0 -68.0 -33.6 32.3 50.3 20.9 115 115 A S H >< S+ 0 0 0 -4,-2.0 3,-0.9 2,-0.2 -2,-0.2 0.884 114.5 46.6 -76.2 -42.2 34.9 48.0 19.4 116 116 A V H 3< S+ 0 0 57 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.793 106.5 65.8 -70.1 -24.4 35.9 46.5 22.8 117 117 A G T 3< + 0 0 50 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.570 69.8 108.6 -76.6 -12.7 32.2 46.1 23.5 118 118 A V < - 0 0 18 -3,-0.9 2,-0.8 -4,-0.3 4,-0.1 -0.521 59.9-147.0 -72.8 128.1 31.2 43.6 20.9 119 119 A Q S S- 0 0 78 -2,-0.3 2,-0.3 2,-0.1 201,-0.1 -0.881 70.6 -11.0 -96.5 110.6 30.5 40.2 22.4 120 120 A G S S- 0 0 4 -2,-0.8 2,-0.2 40,-0.1 199,-0.1 -0.709 123.8 -5.8 99.3-151.7 31.5 37.5 20.0 121 121 A S S S+ 0 0 5 -2,-0.3 21,-2.9 40,-0.1 2,-0.3 -0.515 86.0 112.4 -80.4 139.3 32.5 38.4 16.4 122 122 A G E -B 141 0B 0 19,-0.3 38,-2.4 -2,-0.2 2,-0.3 -0.993 50.1-100.6-178.8-172.9 32.0 42.0 15.2 123 123 A W E -BC 140 159B 0 17,-2.1 17,-2.5 -2,-0.3 2,-0.4 -0.992 15.0-146.8-138.4 143.1 33.0 45.4 13.9 124 124 A G E -BC 139 158B 0 34,-1.9 34,-2.0 -2,-0.3 2,-0.3 -0.895 31.1-167.9-106.2 136.7 33.3 48.8 15.5 125 125 A W E -BC 138 157B 0 13,-3.3 13,-2.2 -2,-0.4 2,-0.5 -0.950 31.0-157.8-135.7 152.0 32.4 51.7 13.1 126 126 A L E +BC 137 156B 1 30,-1.4 29,-2.3 -2,-0.3 30,-1.8 -0.999 38.6 161.7-120.0 116.4 32.6 55.4 12.6 127 127 A G E -BC 136 154B 0 9,-2.6 9,-2.0 -2,-0.5 2,-0.5 -0.677 37.6-110.0-127.3-174.6 29.9 56.3 10.1 128 128 A F E -BC 135 153B 15 25,-1.3 25,-1.5 7,-0.2 2,-1.2 -0.986 16.2-141.1-125.5 123.5 28.0 59.4 8.9 129 129 A N E >> -B 134 0B 23 5,-3.9 4,-1.5 -2,-0.5 5,-1.5 -0.757 16.9-172.0 -83.9 100.5 24.3 59.8 9.5 130 130 A K T 45S+ 0 0 126 -2,-1.2 -1,-0.2 21,-0.3 22,-0.1 0.836 82.4 55.8 -61.3 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0.863 110.7 55.0 -69.2 -34.6 38.5 58.0 5.9 190 190 A T H X S+ 0 0 32 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.947 110.5 45.8 -60.9 -47.7 38.7 61.8 5.1 191 191 A E H X S+ 0 0 113 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.962 112.2 51.0 -58.3 -50.2 37.9 60.9 1.5 192 192 A R H < S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.768 113.0 46.6 -58.1 -29.8 35.1 58.6 2.7 193 193 A Y H >X S+ 0 0 0 -4,-1.9 3,-1.7 -3,-0.2 4,-0.8 0.924 109.3 52.7 -76.5 -49.0 33.8 61.4 4.8 194 194 A M H 3X S+ 0 0 63 -4,-3.0 4,-0.7 1,-0.3 3,-0.5 0.780 100.5 61.8 -57.9 -32.8 34.0 64.0 2.1 195 195 A A H 3< S+ 0 0 54 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.664 100.1 56.4 -69.3 -17.6 32.0 61.8 -0.3 196 196 A C H <4 S+ 0 0 18 -3,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.753 105.8 49.7 -82.9 -28.4 29.1 62.0 2.2 197 197 A K H < 0 0 82 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.539 360.0 360.0 -87.6 -9.5 29.0 65.8 2.1 198 198 A K < 0 0 231 -4,-0.7 -1,-0.2 0, 0.0 -2,-0.1 0.593 360.0 360.0 -60.2 360.0 29.0 66.1 -1.7 199 !* 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 0.0 200 1 B K 0 0 172 0, 0.0 2,-0.2 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 115.9 30.1 34.0 43.9 201 2 B H - 0 0 38 33,-0.3 2,-0.3 34,-0.0 37,-0.1 -0.591 360.0-153.5 -87.9 147.1 31.2 31.8 41.0 202 3 B S - 0 0 93 -2,-0.2 3,-0.0 36,-0.0 29,-0.0 -0.911 26.0-105.6-121.3 148.5 34.6 30.3 40.8 203 4 B L - 0 0 57 -2,-0.3 28,-0.1 1,-0.1 23,-0.0 -0.583 43.2-127.8 -70.3 112.0 36.8 29.2 37.8 204 5 B P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.279 25.1-109.7 -61.7 147.3 36.6 25.4 37.9 205 6 B D - 0 0 144 1,-0.1 -3,-0.0 2,-0.0 72,-0.0 -0.491 33.7-104.3 -75.9 151.1 39.9 23.6 37.8 206 7 B L - 0 0 27 -2,-0.1 -1,-0.1 1,-0.1 4,-0.1 -0.550 22.1-138.0 -73.3 138.0 40.9 21.8 34.6 207 8 B P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.272 84.5 28.2 -82.2 12.5 40.5 18.0 35.2 208 9 B Y S S- 0 0 26 73,-0.1 2,-0.1 74,-0.0 -2,-0.1 -0.950 100.5 -72.3-159.9 168.8 43.8 17.4 33.3 209 10 B D > - 0 0 120 -2,-0.3 3,-2.6 1,-0.1 4,-0.3 -0.434 46.7-112.0 -70.7 143.5 47.1 19.1 32.5 210 11 B Y T 3 S+ 0 0 64 1,-0.3 12,-0.3 2,-0.1 3,-0.2 0.706 120.7 41.1 -47.7 -25.0 47.1 22.1 30.0 211 12 B G T > S+ 0 0 21 1,-0.1 3,-1.8 11,-0.1 -1,-0.3 0.405 82.0 104.3-106.9 3.9 49.0 19.9 27.6 212 13 B A T < S+ 0 0 30 -3,-2.6 -1,-0.1 1,-0.3 -2,-0.1 0.575 77.9 56.9 -61.8 -8.6 47.1 16.6 28.2 213 14 B L T >> S+ 0 0 1 4,-0.3 3,-1.4 -4,-0.3 4,-1.3 0.277 87.5 169.7-109.3 10.8 45.3 17.0 24.9 214 15 B E T <4 + 0 0 91 -3,-1.8 4,-0.0 1,-0.3 -3,-0.0 -0.361 56.9 13.2 -70.6 148.0 48.3 17.2 22.5 215 16 B P T 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.858 125.8 59.2 -93.3 24.4 48.6 17.2 19.5 216 17 B H T <4 S+ 0 0 48 -3,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.879 125.5 7.7 -79.7 -43.4 44.8 17.7 19.2 217 18 B I S < S- 0 0 1 -4,-1.3 -4,-0.3 -6,-0.1 -1,-0.3 -0.835 93.1-125.9-141.6 99.1 44.5 21.0 21.1 218 19 B N > - 0 0 24 -2,-0.3 4,-1.9 -3,-0.3 3,-0.2 0.063 18.0-113.2 -48.7 151.8 48.0 22.4 21.9 219 20 B A H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.771 113.7 61.4 -56.6 -32.1 48.9 23.3 25.5 220 21 B Q H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.956 105.8 45.9 -62.1 -49.5 49.1 27.0 24.6 221 22 B I H > S+ 0 0 1 -3,-0.2 4,-3.1 1,-0.2 5,-0.3 0.942 112.7 49.9 -58.2 -50.3 45.4 27.1 23.6 222 23 B M H X S+ 0 0 1 -4,-1.9 4,-1.2 -12,-0.3 5,-0.3 0.797 110.8 50.8 -61.0 -31.8 44.3 25.2 26.7 223 24 B Q H X S+ 0 0 98 -4,-1.8 4,-2.4 -3,-0.2 5,-0.3 0.950 117.9 35.5 -70.0 -53.3 46.3 27.5 29.0 224 25 B L H X>S+ 0 0 31 -4,-2.2 4,-2.4 2,-0.2 5,-1.6 0.917 114.7 56.6 -66.0 -47.1 44.9 30.8 27.6 225 26 B H H <>S+ 0 0 2 -4,-3.1 5,-2.4 -5,-0.3 -1,-0.2 0.862 120.1 30.4 -53.6 -41.6 41.4 29.4 27.0 226 27 B H H <>S+ 0 0 9 -4,-1.2 5,-0.8 -5,-0.3 -2,-0.2 0.952 125.5 40.0 -83.8 -57.5 41.1 28.4 30.7 227 28 B S H <5S+ 0 0 40 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.681 132.7 18.2 -69.6 -22.3 43.2 30.9 32.6 228 29 B K T X5S+ 0 0 105 -4,-2.4 4,-2.4 -5,-0.3 -3,-0.2 0.787 127.9 35.6-113.0 -64.7 42.1 33.9 30.5 229 30 B N H >S+ 0 0 4 -4,-1.3 5,-2.8 2,-0.2 4,-0.5 0.820 114.0 54.8 -75.4 -33.9 18.6 46.4 40.6 248 49 B L H ><5S+ 0 0 10 -4,-3.1 3,-0.9 3,-0.2 -2,-0.2 0.937 108.4 50.2 -63.5 -43.6 16.2 43.6 41.6 249 50 B A H 3<5S+ 0 0 69 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.857 112.5 45.3 -62.4 -41.0 16.1 45.0 45.1 250 51 B K H 3<5S- 0 0 155 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.493 109.7-120.8 -82.4 -4.7 15.2 48.5 43.9 251 52 B G T <<5 + 0 0 26 -3,-0.9 2,-1.3 -4,-0.5 -3,-0.2 0.849 55.6 161.7 66.1 29.0 12.7 47.2 41.4 252 53 B D >< + 0 0 66 -5,-2.8 4,-1.7 1,-0.2 -1,-0.2 -0.712 13.7 176.3 -85.6 88.8 14.8 48.9 38.7 253 54 B V H > S+ 0 0 9 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.806 74.8 58.7 -65.1 -30.1 13.5 47.0 35.7 254 55 B T H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.954 106.9 43.4 -66.8 -51.0 15.6 49.2 33.4 255 56 B A H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 112.8 55.0 -63.2 -36.1 19.0 48.2 34.9 256 57 B Q H < S+ 0 0 0 -4,-1.7 4,-0.2 2,-0.2 -1,-0.2 0.902 111.9 42.2 -61.5 -46.2 17.9 44.6 35.1 257 58 B I H >< S+ 0 0 3 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.895 112.8 54.7 -68.7 -37.3 17.2 44.5 31.4 258 59 B A H 3< S+ 0 0 51 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.789 106.5 51.6 -65.7 -30.1 20.4 46.5 30.7 259 60 B L T 3X S+ 0 0 22 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.501 86.7 92.1 -85.5 -5.4 22.4 43.9 32.5 260 61 B Q H <> S+ 0 0 13 -3,-1.2 4,-2.2 -4,-0.2 5,-0.3 0.868 82.8 47.5 -57.7 -47.3 20.9 41.1 30.5 261 62 B P H > S+ 0 0 67 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.952 113.3 50.1 -62.4 -44.1 23.4 40.9 27.7 262 63 B A H > S+ 0 0 22 -4,-0.4 4,-2.5 1,-0.2 5,-0.4 0.903 113.5 45.3 -60.1 -40.8 26.3 40.9 30.2 263 64 B L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 5,-0.3 0.839 114.4 46.2 -73.8 -35.9 24.7 38.1 32.2 264 65 B K H X S+ 0 0 62 -4,-2.2 4,-1.3 3,-0.2 -2,-0.2 0.898 117.2 45.8 -72.6 -37.1 23.8 35.9 29.3 265 66 B F H X S+ 0 0 26 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.941 124.5 29.5 -69.4 -52.6 27.3 36.4 27.8 266 67 B N H X S+ 0 0 9 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.940 122.1 49.4 -76.2 -47.9 29.3 35.8 30.9 267 68 B G H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.4 -3,-0.2 0.884 115.6 47.7 -56.9 -36.9 26.9 33.5 32.7 268 69 B G H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.3 5,-0.2 0.867 106.9 54.5 -70.9 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0.892 108.3 50.7 -72.8 -40.6 -0.3 7.8 13.8 693 96 D A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 39,-0.2 0.859 107.9 55.0 -64.1 -34.3 2.8 9.9 13.3 694 97 D I H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 5,-0.4 0.882 104.5 54.0 -65.0 -37.8 1.2 12.3 15.8 695 98 D K H X S+ 0 0 75 -4,-1.3 4,-1.3 3,-0.2 -1,-0.2 0.866 111.4 45.6 -62.9 -41.2 0.9 9.4 18.3 696 99 D R H < S+ 0 0 145 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.966 119.3 37.1 -65.9 -58.5 4.7 8.6 17.9 697 100 D D H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.692 135.2 19.0 -72.3 -22.5 6.1 12.1 18.2 698 101 D F H < S- 0 0 13 -4,-2.0 2,-0.8 -5,-0.2 -3,-0.2 0.453 96.4-118.4-129.7 -3.0 3.7 13.5 20.8 699 102 D G S < S- 0 0 37 -4,-1.3 2,-0.3 -5,-0.4 -4,-0.1 -0.421 83.0 -0.3 98.9 -60.2 2.1 10.5 22.6 700 103 D S S > S- 0 0 41 -2,-0.8 4,-1.8 -6,-0.2 5,-0.1 -0.927 78.1 -97.2-152.4 172.4 -1.5 11.2 21.7 701 104 D F H > S+ 0 0 8 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.906 121.8 52.6 -63.5 -42.8 -3.6 13.7 19.7 702 105 D D H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.799 108.4 50.4 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28.6-160.2-131.1 141.9 3.8 25.3 13.3 723 126 D L E +KL 734 753H 0 30,-1.8 29,-2.5 -2,-0.4 30,-1.7 -0.970 41.3 166.7-105.6 119.6 3.5 21.6 13.1 724 127 D G E -KL 733 751H 0 9,-1.8 9,-2.2 -2,-0.6 2,-0.4 -0.727 35.5-113.6-128.1-177.8 6.2 20.6 10.7 725 128 D F E -KL 732 750H 5 25,-1.1 25,-1.9 7,-0.3 2,-0.9 -0.988 15.0-144.1-124.5 130.3 8.2 17.7 9.4 726 129 D N E >> -K 731 0H 25 5,-3.6 4,-3.2 -2,-0.4 5,-1.2 -0.830 15.3-173.9 -93.1 100.5 11.8 17.1 10.0 727 130 D K T 45S+ 0 0 111 -2,-0.9 -1,-0.2 21,-0.4 22,-0.1 0.889 84.1 52.1 -61.0 -45.3 13.1 15.5 6.7 728 131 D E T 45S+ 0 0 122 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.862 122.0 32.7 -60.1 -36.2 16.6 14.8 8.1 729 132 D R T 45S- 0 0 43 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.747 100.6-128.4 -92.8 -32.6 15.0 13.0 11.1 730 133 D G T <5S+ 0 0 32 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.822 70.8 90.0 85.6 33.1 11.9 11.5 9.7 731 134 D H E S-K 719 0H 73 0, 0.0 3,-2.4 0, 0.0 -19,-0.3 -0.554 71.2 -31.8 -81.7 143.6 8.6 35.4 14.8 739 142 D N T 3 S- 0 0 39 -21,-2.9 -2,-0.1 1,-0.3 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58.7-120.9 -87.3 147.0 11.2 22.2 8.4 750 153 D I E -L 725 0H 32 -25,-1.9 -25,-1.1 -2,-0.3 2,-0.2 -0.763 26.4-123.3 -89.6 122.9 8.2 21.5 6.1 751 154 D P E +L 724 0H 12 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.447 42.1 157.5 -67.6 131.5 5.0 23.3 7.1 752 155 D L E S+ 0 0 0 -29,-2.5 2,-0.3 1,-0.2 37,-0.2 0.654 72.9 9.2-119.0 -45.1 2.1 20.9 7.7 753 156 D L E -L 723 0H 2 -30,-1.7 -30,-1.8 36,-0.1 2,-0.4 -0.911 68.5-172.7-145.5 110.7 -0.3 23.0 9.9 754 157 D G E -L 722 0H 1 -2,-0.3 2,-0.5 -32,-0.2 -32,-0.2 -0.885 7.2-164.6-110.5 136.5 0.3 26.6 10.7 755 158 D I E -L 721 0H 7 -34,-2.5 -34,-2.1 -2,-0.4 2,-0.5 -0.966 17.5-139.8-121.0 112.6 -1.7 28.7 13.2 756 159 D D E +L 720 0H 0 -2,-0.5 -36,-0.2 -36,-0.2 -44,-0.0 -0.623 22.1 176.8 -73.9 118.7 -1.4 32.5 12.9 757 160 D V + 0 0 0 -38,-2.0 2,-0.2 -2,-0.5 -37,-0.1 -0.027 33.7 129.0-112.8 26.8 -1.2 34.1 16.3 758 161 D W S > S- 0 0 5 -40,-0.2 3,-2.5 1,-0.1 4,-0.3 -0.604 72.7-115.4 -75.5 147.1 -0.6 37.7 15.1 759 162 D E G >> S+ 0 0 7 1,-0.3 4,-2.8 -2,-0.2 3,-1.8 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