==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JAN-08 3C3T . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [MN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.S.QUINT,J.F.DOMSIC,D.E.CABELLI,R.MCKENNA,D.N.SILVERMAN . 392 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 74.2 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 . 38 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.1 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 2 3 2 1 0 2 0 0 0 0 0 0 1 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 204 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 134.4 44.0 30.8 74.5 2 2 A H - 0 0 27 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.743 360.0-156.7-100.5 150.3 45.9 30.9 77.8 3 3 A S - 0 0 90 -2,-0.3 29,-0.0 36,-0.0 33,-0.0 -0.939 24.2-109.8-130.0 151.7 49.4 29.5 78.2 4 4 A L - 0 0 59 -2,-0.3 2,-0.1 1,-0.0 28,-0.1 -0.650 42.9-131.7 -75.5 119.5 51.6 28.2 81.0 5 5 A P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.434 18.7-110.6 -74.9 151.1 54.2 30.9 81.6 6 6 A D - 0 0 146 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.481 37.2-105.1 -73.9 150.5 57.8 29.9 81.9 7 7 A L - 0 0 26 2,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.519 20.5-130.1 -74.8 144.1 59.4 30.2 85.3 8 8 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.336 87.7 17.7 -77.2 9.6 61.7 33.3 85.7 9 9 A Y S S- 0 0 35 73,-0.1 2,-0.4 74,-0.0 -2,-0.1 -0.904 97.9 -65.7-161.3-174.3 64.4 30.9 87.2 10 10 A D > - 0 0 108 -2,-0.3 3,-5.0 1,-0.1 4,-0.3 -0.724 45.9-115.8 -96.1 138.2 65.5 27.3 87.6 11 11 A Y G > S+ 0 0 74 -2,-0.4 3,-0.6 1,-0.3 12,-0.2 0.755 117.5 47.6 -44.8 -35.3 63.3 25.0 89.7 12 12 A G G > S+ 0 0 24 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.406 83.3 99.2 -86.8 3.3 66.1 24.6 92.2 13 13 A A G < S+ 0 0 21 -3,-5.0 -1,-0.2 1,-0.2 -2,-0.1 0.668 77.1 55.1 -64.7 -20.2 66.8 28.4 92.4 14 14 A L G X> S+ 0 0 1 -3,-0.6 4,-1.4 4,-0.3 3,-1.0 0.376 89.2 163.3 -97.7 6.8 64.8 28.9 95.6 15 15 A E T <4 + 0 0 94 -3,-1.4 4,-0.1 1,-0.3 -3,-0.0 -0.356 53.2 18.3 -68.1 150.4 66.6 26.3 97.7 16 16 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.977 126.1 53.3 -89.8 7.1 66.9 25.7 100.6 17 17 A H T <4 S+ 0 0 53 -3,-1.0 2,-0.4 1,-0.3 -2,-0.2 0.887 128.3 11.6 -66.4 -43.5 63.7 27.7 101.3 18 18 A I S < S- 0 0 5 -4,-1.4 -4,-0.3 161,-0.1 -1,-0.3 -0.928 91.0-129.9-137.5 109.9 61.5 25.9 98.8 19 19 A N >> - 0 0 29 -2,-0.4 4,-1.8 -3,-0.3 3,-0.7 -0.171 18.4-112.7 -65.2 154.9 63.0 22.7 97.4 20 20 A A H 3> S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.781 112.1 61.6 -53.9 -35.6 63.2 21.9 93.7 21 21 A Q H 3> S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 106.9 44.6 -62.5 -41.5 60.7 19.0 93.9 22 22 A I H <> S+ 0 0 2 -3,-0.7 4,-3.1 2,-0.2 5,-0.3 0.924 113.2 50.7 -67.6 -45.2 57.9 21.3 95.1 23 23 A M H X S+ 0 0 2 -4,-1.8 4,-2.0 -12,-0.2 5,-0.3 0.905 112.3 47.4 -60.4 -41.5 58.7 24.0 92.5 24 24 A Q H X S+ 0 0 100 -4,-2.6 4,-1.9 2,-0.2 5,-0.5 0.936 116.4 41.7 -67.5 -46.2 58.7 21.4 89.7 25 25 A L H X>S+ 0 0 58 -4,-2.3 5,-2.1 -5,-0.2 4,-1.6 0.943 114.6 52.0 -64.3 -47.7 55.4 19.8 90.8 26 26 A H H <>S+ 0 0 3 -4,-3.1 5,-2.0 -5,-0.2 -2,-0.2 0.880 122.1 29.6 -56.9 -42.9 53.7 23.1 91.6 27 27 A H H <>S+ 0 0 10 -4,-2.0 5,-1.0 -5,-0.3 -2,-0.2 0.959 125.5 37.1 -84.8 -59.1 54.6 24.6 88.1 28 28 A S H <5S+ 0 0 42 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.643 132.5 22.2 -73.2 -16.4 54.8 21.7 85.6 29 29 A K T X5S+ 0 0 133 -4,-1.6 4,-2.1 -5,-0.5 -3,-0.2 0.758 128.4 33.6-112.9 -64.9 51.9 19.7 87.1 30 30 A H H >S+ 0 0 7 -4,-2.3 5,-2.7 1,-0.2 4,-0.5 0.909 112.2 49.6 -60.3 -41.9 26.9 28.1 75.9 49 49 A L H ><5S+ 0 0 14 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.895 107.4 53.1 -65.1 -41.7 27.0 31.9 75.5 50 50 A A H 3<5S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 113.9 43.6 -61.7 -36.8 26.5 31.6 71.7 51 51 A K H 3<5S- 0 0 162 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.484 109.4-123.3 -86.4 -4.4 23.4 29.5 72.3 52 52 A G T <<5 + 0 0 25 -3,-0.8 2,-1.4 -4,-0.5 -3,-0.2 0.807 51.9 163.3 65.9 26.7 22.1 31.7 75.1 53 53 A D >< + 0 0 59 -5,-2.7 4,-1.6 -6,-0.2 -1,-0.2 -0.654 12.7 177.1 -82.8 92.9 22.1 28.7 77.4 54 54 A V H > S+ 0 0 9 -2,-1.4 4,-2.2 2,-0.2 5,-0.2 0.847 76.3 56.8 -64.8 -38.1 22.0 30.3 80.8 55 55 A T H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 108.2 47.2 -60.8 -46.6 21.8 27.0 82.7 56 56 A A H > S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.865 109.9 54.5 -63.4 -35.6 25.0 25.8 81.1 57 57 A Q H < S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.899 112.0 42.8 -64.6 -40.8 26.7 29.2 81.9 58 58 A I H >< S+ 0 0 4 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.844 110.1 56.4 -74.5 -34.1 25.8 28.9 85.6 59 59 A A H 3< S+ 0 0 51 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.822 107.5 50.1 -67.2 -30.2 26.8 25.2 85.7 60 60 A L T 3X S+ 0 0 34 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.549 83.6 93.9 -85.2 -8.2 30.3 26.0 84.4 61 61 A Q H <> S+ 0 0 11 -3,-0.7 4,-2.6 -4,-0.4 5,-0.3 0.882 82.5 50.5 -53.9 -45.3 30.9 28.8 86.9 62 62 A P H > S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.910 112.2 46.4 -61.8 -41.6 32.7 26.7 89.5 63 63 A A H > S+ 0 0 40 -4,-0.3 4,-2.3 -3,-0.2 5,-0.4 0.873 114.4 47.9 -68.4 -37.2 35.2 25.1 87.0 64 64 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.5 0.932 114.1 45.1 -70.2 -45.7 35.9 28.5 85.4 65 65 A K H X S+ 0 0 52 -4,-2.6 4,-2.0 -5,-0.2 5,-0.2 0.920 116.5 46.9 -64.0 -43.5 36.5 30.3 88.8 66 66 A F H X S+ 0 0 73 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.958 123.7 30.4 -64.4 -52.9 38.7 27.4 90.1 67 67 A N H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -29,-0.2 0.885 122.6 48.7 -76.1 -39.3 40.9 26.9 87.0 68 68 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.4 -3,-0.2 0.922 116.0 45.4 -64.8 -41.9 40.8 30.5 85.9 69 69 A G H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.5 5,-0.3 0.893 109.4 55.1 -67.2 -40.3 41.7 31.6 89.4 70 70 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 5,-0.2 0.907 110.3 46.4 -58.9 -42.6 44.3 28.9 89.6 71 71 A H H X S+ 0 0 22 -4,-2.2 4,-2.0 -37,-0.2 -2,-0.2 0.935 115.2 45.3 -65.3 -48.3 46.0 30.3 86.5 72 72 A I H X S+ 0 0 28 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.944 113.5 48.8 -61.0 -51.5 45.8 33.9 87.6 73 73 A N H X S+ 0 0 1 -4,-3.0 4,-2.2 70,-0.2 -1,-0.2 0.908 114.7 43.4 -57.6 -47.7 47.0 33.2 91.2 74 74 A H H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.850 107.3 58.7 -70.0 -35.6 50.0 31.2 90.2 75 75 A S H X S+ 0 0 32 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.900 112.7 41.3 -60.4 -39.3 51.1 33.4 87.3 76 76 A I H X S+ 0 0 17 -4,-1.7 4,-1.3 -5,-0.2 3,-0.4 0.916 110.4 58.9 -72.3 -43.4 51.4 36.3 89.8 77 77 A F H >X S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 4,-0.6 0.906 100.9 53.6 -52.3 -50.5 53.0 34.0 92.4 78 78 A W H >< S+ 0 0 3 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.862 110.6 47.5 -55.6 -38.2 56.0 33.0 90.2 79 79 A T H 3< S+ 0 0 39 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.715 103.1 63.4 -76.3 -20.7 56.8 36.7 89.6 80 80 A N H << S+ 0 0 0 -4,-1.3 105,-3.3 -3,-0.8 2,-0.3 0.560 99.3 67.6 -77.8 -11.5 56.5 37.4 93.4 81 81 A L B << +A 184 0A 2 -3,-0.8 103,-0.2 -4,-0.6 3,-0.0 -0.806 56.5 166.2-113.5 155.7 59.4 35.1 94.1 82 82 A S > - 0 0 16 101,-2.4 3,-2.1 -2,-0.3 104,-0.1 -0.943 43.6-129.8-165.4 140.5 63.2 35.3 93.2 83 83 A P T 3 S+ 0 0 62 0, 0.0 101,-0.1 0, 0.0 -1,-0.1 0.699 117.6 48.2 -66.1 -13.3 66.5 33.7 94.2 84 84 A N T 3 S+ 0 0 150 99,-0.1 99,-0.1 -3,-0.0 100,-0.1 0.222 95.8 97.8-107.5 12.0 67.7 37.3 94.7 85 85 A G < + 0 0 23 -3,-2.1 100,-0.2 98,-0.2 2,-0.1 0.141 39.7 91.5 -81.5-156.3 64.7 38.4 96.8 86 86 A G + 0 0 20 98,-2.2 100,-0.3 1,-0.2 96,-0.2 -0.336 53.2 71.6 95.6 178.0 64.5 38.6 100.5 87 87 A G S S- 0 0 57 -2,-0.1 -1,-0.2 94,-0.1 97,-0.1 -0.436 91.2 -49.6 75.9-150.0 65.2 41.5 102.8 88 88 A E - 0 0 121 -2,-0.1 2,-0.1 -3,-0.1 98,-0.1 -0.822 49.9-110.8-123.5 161.9 62.9 44.5 102.9 89 89 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 98,-0.1 -0.488 32.2-160.2 -87.0 164.2 61.3 46.7 100.2 90 90 A K >> + 0 0 172 -2,-0.1 4,-0.9 96,-0.1 3,-0.8 -0.608 46.0 42.5-129.2-170.1 62.3 50.3 99.8 91 91 A G H 3> S- 0 0 51 1,-0.2 4,-1.3 -2,-0.2 3,-0.3 -0.222 116.4 -28.7 67.7-157.6 61.0 53.5 98.2 92 92 A E H 3> S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.689 131.9 66.6 -69.3 -19.0 57.3 54.5 98.6 93 93 A L H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.958 102.0 49.7 -64.8 -47.3 56.1 50.9 98.9 94 94 A L H X S+ 0 0 31 -4,-0.9 4,-2.3 -3,-0.3 -2,-0.2 0.904 111.9 46.2 -56.0 -47.2 58.0 50.7 102.2 95 95 A E H X S+ 0 0 126 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.821 108.8 55.9 -68.8 -29.3 56.4 54.0 103.5 96 96 A A H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.919 109.6 47.7 -66.6 -40.6 53.0 52.8 102.4 97 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.907 113.4 46.1 -65.6 -42.9 53.6 49.7 104.5 98 98 A K H X S+ 0 0 100 -4,-2.3 4,-2.2 3,-0.2 -2,-0.2 0.939 115.2 48.7 -64.0 -46.0 54.7 51.8 107.5 99 99 A R H < S+ 0 0 138 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 121.6 32.6 -61.1 -42.9 51.8 54.1 107.0 100 100 A D H < S+ 0 0 48 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.722 135.7 22.5 -90.8 -23.5 49.2 51.4 106.7 101 101 A F H < S- 0 0 37 -4,-2.6 2,-0.6 -5,-0.2 -3,-0.2 0.437 97.7-120.0-122.0 -2.8 50.6 48.7 109.1 102 102 A G S < S+ 0 0 46 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 -0.269 83.3 5.4 94.7 -50.2 52.9 50.7 111.4 103 103 A S S > S- 0 0 39 -2,-0.6 4,-2.1 -6,-0.3 5,-0.1 -0.977 74.2-105.2-159.7 166.1 56.1 48.8 110.4 104 104 A F H > S+ 0 0 12 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.890 120.3 50.3 -64.1 -41.2 57.4 46.2 108.1 105 105 A D H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 109.4 51.2 -66.7 -34.5 57.6 43.6 110.9 106 106 A K H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 109.1 51.5 -67.5 -40.7 54.0 44.3 111.8 107 107 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.930 108.4 51.5 -60.2 -46.4 53.0 43.9 108.2 108 108 A K H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.900 110.1 48.9 -58.4 -42.4 54.8 40.5 108.1 109 109 A E H X S+ 0 0 126 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.939 111.6 49.7 -63.1 -47.1 52.9 39.4 111.2 110 110 A K H X S+ 0 0 114 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 114.7 42.1 -57.2 -51.5 49.6 40.5 109.8 111 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.829 114.7 52.4 -67.5 -31.4 50.1 38.7 106.4 112 112 A T H X S+ 0 0 35 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.890 109.6 48.7 -70.2 -39.9 51.5 35.6 108.2 113 113 A A H X S+ 0 0 64 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.906 112.2 48.5 -65.8 -42.8 48.5 35.4 110.5 114 114 A A H < S+ 0 0 27 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 114.7 45.8 -64.0 -41.9 46.1 35.7 107.6 115 115 A S H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.923 115.1 44.2 -68.5 -46.6 48.0 33.0 105.6 116 116 A V H 3< S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 107.4 62.4 -68.7 -31.0 48.3 30.6 108.5 117 117 A G T 3< S+ 0 0 56 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 0.441 72.7 119.2 -76.1 1.4 44.7 31.1 109.5 118 118 A V < - 0 0 17 -3,-1.1 2,-0.6 -4,-0.2 4,-0.1 -0.552 61.9-138.4 -71.6 123.1 43.3 29.8 106.2 119 119 A Q S S- 0 0 191 -2,-0.4 2,-0.2 2,-0.1 -2,-0.1 -0.724 70.3 -22.0 -83.8 119.2 41.1 26.8 106.9 120 120 A G S S- 0 0 53 -2,-0.6 2,-0.3 21,-0.1 -2,-0.0 -0.576 122.8 -7.1 82.5-146.2 41.8 24.2 104.3 121 121 A S S S+ 0 0 36 -2,-0.2 21,-3.0 40,-0.1 2,-0.3 -0.607 84.7 108.9 -88.9 144.5 43.3 25.4 101.0 122 122 A G E -B 141 0B 0 19,-0.3 38,-2.1 -2,-0.3 2,-0.3 -0.982 51.3 -95.5 178.9-167.4 43.8 29.1 100.2 123 123 A W E -BC 140 159B 0 17,-2.4 17,-2.3 -2,-0.3 2,-0.5 -0.975 16.5-140.2-138.7 150.3 45.9 32.1 99.6 124 124 A G E -BC 139 158B 0 34,-2.2 34,-2.5 -2,-0.3 2,-0.4 -0.954 29.7-163.3-111.6 133.3 47.1 35.1 101.7 125 125 A W E -BC 138 157B 1 13,-3.9 13,-3.0 -2,-0.5 2,-0.6 -0.966 27.2-162.4-127.3 128.7 47.1 38.4 99.8 126 126 A L E +BC 137 156B 0 30,-2.3 29,-2.4 -2,-0.4 30,-1.9 -0.961 39.1 167.7 -90.1 121.5 48.6 41.8 100.2 127 127 A G E -BC 136 154B 0 9,-3.5 9,-2.3 -2,-0.6 2,-0.5 -0.748 35.8-114.1-129.9 174.7 46.5 44.0 97.9 128 128 A F E -BC 135 153B 24 25,-2.3 25,-2.5 -2,-0.2 2,-0.9 -0.958 16.7-147.4-116.6 128.0 45.8 47.6 97.0 129 129 A N E >> -B 134 0B 32 5,-2.5 4,-2.6 -2,-0.5 5,-1.0 -0.826 11.1-171.3 -95.6 103.0 42.4 49.1 97.6 130 130 A K T 45S+ 0 0 133 -2,-0.9 -1,-0.2 21,-0.3 22,-0.1 0.784 82.6 56.1 -63.6 -30.8 41.9 51.7 94.7 131 131 A E T 45S+ 0 0 179 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.949 121.1 26.5 -68.1 -48.9 38.8 53.1 96.3 132 132 A R T 45S- 0 0 172 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.676 100.9-130.6 -88.5 -20.4 40.4 53.9 99.6 133 133 A G T <5 + 0 0 34 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.832 67.2 100.7 75.3 32.4 43.9 54.4 98.4 134 134 A H E S-B 122 0B 72 0, 0.0 3,-2.1 0, 0.0 -19,-0.3 -0.505 70.0 -35.3 -77.2 142.7 39.6 30.3 99.8 142 142 A N T 3 S- 0 0 75 -21,-3.0 -2,-0.1 1,-0.3 19,-0.1 -0.187 123.6 -25.3 49.4-123.9 40.9 27.7 97.4 143 143 A Q T 3 S+ 0 0 0 -21,-0.1 -1,-0.3 2,-0.1 -70,-0.2 0.241 87.6 141.5-111.2 8.8 41.7 29.3 94.0 144 144 A D < - 0 0 30 -3,-2.1 -21,-0.1 1,-0.1 -78,-0.1 -0.368 53.7-125.6 -54.3 115.1 39.3 32.3 94.2 145 145 A P > - 0 0 1 0, 0.0 4,-1.2 0, 0.0 5,-0.3 -0.310 8.8-127.9 -67.5 149.7 41.4 35.2 92.7 146 146 A L H >>S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.8 0.969 102.0 36.7 -63.0 -58.5 41.9 38.4 94.7 147 147 A Q H >5S+ 0 0 78 4,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.929 114.7 54.4 -63.9 -47.4 40.7 41.0 92.2 148 148 A G H 45S+ 0 0 9 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.788 121.9 28.2 -58.8 -30.2 37.9 39.0 90.6 149 149 A T H <5S+ 0 0 64 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.718 137.0 21.0-105.2 -25.5 36.2 38.4 94.0 150 150 A T H <5S- 0 0 71 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.653 90.0-125.4-115.5 -22.5 37.2 41.3 96.2 151 151 A G << + 0 0 49 -4,-1.4 -21,-0.3 -5,-0.8 -4,-0.2 0.297 65.0 134.3 92.6 -10.3 38.2 44.1 93.8 152 152 A L - 0 0 8 -6,-0.6 -1,-0.3 -23,-0.1 -2,-0.2 -0.486 59.9-121.6 -74.7 144.3 41.6 44.5 95.4 153 153 A I E -C 128 0B 33 -25,-2.5 -25,-2.3 -2,-0.2 2,-0.2 -0.759 31.1-122.7 -86.3 123.7 44.6 44.7 93.1 154 154 A P E +C 127 0B 12 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.457 40.7 161.5 -70.3 134.4 47.1 41.9 94.0 155 155 A L E S+ 0 0 0 -29,-2.4 2,-0.4 1,-0.3 -28,-0.2 0.701 70.6 7.7-114.8 -48.1 50.6 42.9 95.0 156 156 A L E 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-0.654 25.5 178.9 -84.2 88.0 60.9 39.5 95.0 186 186 A W H 3> S+ 0 0 15 -2,-1.5 4,-2.3 -100,-0.3 -1,-0.2 0.756 75.7 62.7 -64.5 -23.9 60.3 43.1 96.3 187 187 A E H 3> S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 106.1 47.0 -69.0 -33.7 61.1 44.7 93.0 188 188 A N H <> S+ 0 0 21 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.920 111.3 49.3 -71.7 -43.1 58.2 42.9 91.5 189 189 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.895 111.5 51.5 -61.5 -38.2 55.8 43.9 94.3 190 190 A T H X S+ 0 0 40 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.912 108.6 50.1 -64.9 -43.2 57.0 47.5 94.0 191 191 A E H X S+ 0 0 118 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.962 110.8 48.6 -59.1 -52.6 56.3 47.4 90.2 192 192 A R H X S+ 0 0 66 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.847 113.9 48.7 -55.4 -36.5 52.8 46.1 90.8 193 193 A Y H >< S+ 0 0 37 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.2 0.902 109.5 49.3 -71.8 -43.1 52.3 48.8 93.4 194 194 A M H 3< S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.773 103.8 63.8 -67.7 -24.5 53.6 51.7 91.3 195 195 A A H 3< 0 0 91 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.813 360.0 360.0 -69.0 -31.3 51.3 50.5 88.5 196 196 A C << 0 0 45 -4,-0.8 -3,-0.1 -3,-0.7 -4,-0.0 0.396 360.0 360.0-114.8 360.0 48.2 51.2 90.6 197 !* 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 0.0 198 1 B K 0 0 198 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 136.2 19.4 38.2 73.7 199 2 B H - 0 0 21 33,-0.2 2,-0.3 34,-0.0 37,-0.1 -0.966 360.0-154.4-131.9 148.4 16.7 37.3 76.2 200 3 B S - 0 0 80 -2,-0.3 29,-0.0 36,-0.0 33,-0.0 -0.938 25.1-107.8-129.7 151.5 13.1 38.6 76.4 201 4 B L - 0 0 58 -2,-0.3 2,-0.1 1,-0.1 28,-0.1 -0.597 45.7-127.8 -71.0 120.3 10.4 39.0 79.0 202 5 B P - 0 0 44 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.468 16.4-116.8 -75.2 145.6 7.8 36.4 78.2 203 6 B D - 0 0 151 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.491 35.0-110.1 -74.4 149.2 4.2 37.3 77.8 204 7 B L - 0 0 30 -2,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.564 9.4-134.7 -83.5 145.6 1.8 35.8 80.3 205 8 B P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.382 91.2 23.2 -78.0 4.3 -0.7 33.1 79.3 206 9 B Y S S- 0 0 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-3,-0.3 3,-0.4 -0.186 17.4-112.1 -69.7 160.0 -4.0 39.2 93.7 217 20 B A H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.818 111.5 59.8 -56.2 -39.5 -3.5 41.2 90.5 218 21 B Q H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 107.4 46.1 -60.4 -42.8 -1.2 43.8 92.0 219 22 B I H > S+ 0 0 4 -3,-0.4 4,-3.2 2,-0.2 5,-0.3 0.945 113.1 49.3 -64.2 -47.9 1.4 41.2 93.0 220 23 B M H X S+ 0 0 2 -4,-1.9 4,-2.2 -12,-0.3 5,-0.3 0.900 112.1 49.1 -58.7 -42.4 1.2 39.5 89.6 221 24 B Q H X S+ 0 0 101 -4,-2.8 4,-2.2 2,-0.2 5,-0.5 0.935 116.6 40.1 -64.6 -47.0 1.6 42.8 87.8 222 25 B L H X>S+ 0 0 59 -4,-2.3 5,-2.2 -5,-0.2 4,-1.9 0.941 114.5 53.6 -66.2 -47.1 4.7 43.9 89.9 223 26 B H H <>S+ 0 0 2 -4,-3.2 5,-2.3 -5,-0.2 -2,-0.2 0.883 121.6 29.5 -55.5 -43.5 6.2 40.5 89.9 224 27 B H H <>S+ 0 0 11 -4,-2.2 5,-1.0 -5,-0.3 -2,-0.2 0.957 126.6 36.5 -84.9 -57.6 6.0 40.2 86.1 225 28 B S H <5S+ 0 0 39 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.690 133.1 23.1 -73.3 -18.8 6.3 43.7 84.7 226 29 B K T X5S+ 0 0 126 -4,-1.9 4,-1.9 -5,-0.5 -3,-0.2 0.803 127.5 33.2-110.4 -60.3 8.8 44.9 87.3 227 30 B H H >S+ 0 0 6 -4,-2.5 5,-2.4 1,-0.2 4,-0.4 0.888 112.2 50.2 -62.1 -41.3 35.6 39.6 78.6 246 49 B L H ><5S+ 0 0 14 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.868 107.8 52.3 -66.6 -38.3 35.7 36.2 76.9 247 50 B A H 3<5S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.804 113.7 44.0 -70.0 -27.9 36.9 37.6 73.6 248 51 B K T 3<5S- 0 0 164 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.412 110.3-120.2 -95.9 1.8 39.8 39.4 75.3 249 52 B G T < 5 + 0 0 28 -3,-0.7 2,-1.4 -4,-0.4 -3,-0.2 0.751 54.1 162.1 66.7 22.5 40.7 36.4 77.5 250 53 B D >< + 0 0 62 -5,-2.4 4,-1.9 -6,-0.2 -1,-0.2 -0.608 11.6 174.2 -80.2 90.5 40.0 38.6 80.6 251 54 B V H > S+ 0 0 9 -2,-1.4 4,-2.3 1,-0.2 5,-0.2 0.843 75.9 56.7 -66.1 -36.2 39.6 35.9 83.3 252 55 B T H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 108.3 47.1 -61.5 -46.5 39.3 38.4 86.1 253 56 B A H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.904 110.3 53.1 -62.6 -42.4 36.4 40.1 84.4 254 57 B Q H X S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.922 112.0 44.4 -59.5 -45.8 34.7 36.8 83.8 255 58 B I H >< S+ 0 0 4 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.876 109.8 55.5 -68.7 -35.4 34.9 35.8 87.4 256 59 B A H 3< S+ 0 0 54 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.825 107.0 52.4 -65.1 -30.0 33.8 39.3 88.7 257 60 B L H 3X S+ 0 0 33 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.584 83.9 90.2 -82.3 -12.1 30.7 38.9 86.5 258 61 B Q H S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.924 113.0 44.9 -58.4 -43.0 27.5 36.8 90.8 260 63 B A H > S+ 0 0 35 -4,-0.3 4,-2.4 -3,-0.2 5,-0.5 0.872 113.3 49.7 -68.5 -39.0 25.5 39.1 88.4 261 64 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.4 0.915 113.5 45.3 -68.1 -42.3 25.0 36.4 85.8 262 65 B K H X S+ 0 0 54 -4,-2.7 4,-1.8 -5,-0.2 5,-0.2 0.907 116.6 45.4 -67.4 -41.2 23.8 33.8 88.3 263 66 B F H X S+ 0 0 71 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.949 124.1 30.6 -68.3 -51.4 21.4 36.2 90.1 264 67 B N H X S+ 0 0 13 -4,-2.4 4,-2.1 2,-0.2 -29,-0.2 0.860 122.5 49.3 -78.1 -35.9 19.8 37.7 87.0 265 68 B G H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.5 -3,-0.2 0.932 114.6 46.3 -66.9 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89.5 343 146 B L H >>S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.7 0.957 102.0 36.8 -56.5 -61.4 17.7 24.5 90.3 344 147 B Q H >5S+ 0 0 80 1,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.900 114.8 54.6 -63.3 -43.2 19.3 22.7 87.3 345 148 B G H 45S+ 0 0 10 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.795 121.9 27.9 -62.8 -28.4 22.3 25.0 87.0 346 149 B T H <5S+ 0 0 64 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.645 136.1 21.8-108.9 -19.0 23.3 24.5 90.7 347 150 B T H <5S- 0 0 69 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.562 89.9-125.3-123.1 -16.6 22.0 21.1 91.7 348 151 B G << + 0 0 49 -4,-1.3 -21,-0.3 -5,-0.7 -4,-0.2 0.287 66.0 132.2 88.1 -13.1 21.6 19.2 88.4 349 152 B L - 0 0 9 -6,-0.5 -1,-0.3 -23,-0.1 -2,-0.2 -0.440 60.9-119.8 -73.3 147.6 18.0 18.4 89.2 350 153 B I E -F 325 0D 38 -25,-2.4 -25,-2.1 -2,-0.1 2,-0.2 -0.775 30.4-123.6 -88.6 123.9 15.4 19.0 86.4 351 154 B P E +F 324 0D 13 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.456 41.2 159.0 -71.5 136.3 12.7 21.6 87.6 352 155 B L E S+ 0 0 0 -29,-2.2 2,-0.3 1,-0.3 -28,-0.2 0.651 70.8 10.2-119.6 -42.4 9.1 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0.898 105.7 42.7 -66.3 -39.4 -0.8 19.9 83.3 385 188 B N H <> S+ 0 0 20 -3,-0.9 4,-2.2 -109,-0.2 -2,-0.2 0.891 113.4 51.5 -73.8 -38.3 2.4 21.8 82.8 386 189 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.924 110.0 49.9 -63.1 -43.1 4.1 20.0 85.6 387 190 B T H X S+ 0 0 40 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.896 108.8 53.5 -60.4 -41.7 3.1 16.7 84.1 388 191 B E H X S+ 0 0 119 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.915 109.4 46.8 -59.1 -47.1 4.5 17.9 80.7 389 192 B R H < S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.0 50.8 -64.3 -36.9 7.8 18.7 82.2 390 193 B Y H >< S+ 0 0 20 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.948 106.8 51.9 -66.5 -48.8 7.9 15.3 84.0 391 194 B M H 3< S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.762 99.8 66.1 -59.3 -25.3 7.1 13.3 80.8 392 195 B A T 3< 0 0 85 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.556 360.0 360.0 -74.3 -7.4 10.0 15.1 79.1 393 196 B C < 0 0 53 -3,-2.2 -3,-0.0 -4,-0.2 -4,-0.0 -0.777 360.0 360.0 -91.6 360.0 12.4 13.4 81.5