==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-AUG-01 1JR9 . COMPND 2 MOLECULE: MANGANESE SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIRGIBACILLUS HALODENITRIFICANS; . AUTHOR J.LIAO,M.Y.LIU,T.CHANG,M.LI,J.LEGALL,L.L.GUI,J.P.ZHANG, . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 69.7 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 . 9 4.5 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 . 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 . 10 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 0 1 0 0 1 2 2 0 0 1 0 0 0 0 0 0 0 1 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 . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 99 0, 0.0 2,-0.6 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 -44.7 59.4 83.9 9.1 2 3 A F - 0 0 30 33,-0.1 2,-0.3 34,-0.1 37,-0.1 -0.826 360.0-179.5 -92.9 124.4 61.0 81.2 11.3 3 4 A E - 0 0 150 -2,-0.6 33,-0.0 36,-0.0 29,-0.0 -0.915 35.5-102.8-127.8 154.4 58.8 78.1 11.4 4 5 A L - 0 0 46 -2,-0.3 2,-0.1 1,-0.1 28,-0.0 -0.589 48.2-126.4 -72.5 126.3 58.9 74.7 13.1 5 6 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.308 17.8-105.8 -75.8 158.2 59.9 72.2 10.4 6 7 A E - 0 0 181 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.664 31.3-115.7 -86.7 136.5 58.1 69.0 9.4 7 8 A L - 0 0 13 -2,-0.3 -1,-0.1 1,-0.2 79,-0.1 -0.553 17.4-138.1 -69.7 121.9 59.5 65.6 10.5 8 9 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.480 85.1 31.9 -62.6 4.1 60.6 63.7 7.3 9 10 A Y S S- 0 0 29 1,-0.1 -2,-0.1 80,-0.0 5,-0.0 -0.967 97.3 -74.1-154.6 168.0 59.0 60.7 9.0 10 11 A A - 0 0 51 -2,-0.3 3,-0.3 1,-0.1 -1,-0.1 -0.045 41.7-117.4 -57.9 165.9 56.3 59.4 11.4 11 12 A Y S S+ 0 0 75 1,-0.2 12,-0.2 2,-0.1 3,-0.2 0.703 119.1 42.9 -79.7 -20.5 56.7 60.0 15.1 12 13 A D S > S+ 0 0 91 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 0.329 82.5 104.4-103.7 3.4 56.8 56.3 15.7 13 14 A A T 3 S+ 0 0 26 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.223 93.1 33.4 -71.0 18.2 59.1 55.8 12.8 14 15 A L T >> S+ 0 0 5 4,-0.2 4,-1.4 -3,-0.2 3,-0.7 0.168 80.0 136.7-152.8 11.5 61.9 55.3 15.3 15 16 A E T <4 + 0 0 86 -3,-2.0 -2,-0.1 1,-0.2 6,-0.1 0.679 65.3 55.6 -43.4 -37.4 59.9 53.6 18.0 16 17 A P T 34 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.992 122.5 23.5 -65.5 -50.4 62.4 50.9 19.0 17 18 A T T <4 S+ 0 0 15 -3,-0.7 2,-0.6 1,-0.3 -2,-0.2 0.992 136.1 23.0 -73.1 -73.3 65.4 53.3 19.7 18 19 A I S < S- 0 0 9 -4,-1.4 -1,-0.3 165,-0.1 2,-0.3 -0.898 92.9-116.1-102.3 121.3 63.7 56.6 20.5 19 20 A D >> - 0 0 15 -2,-0.6 4,-1.9 -3,-0.2 3,-1.8 -0.400 13.4-130.5 -63.5 121.5 60.1 56.3 21.7 20 21 A K H 3> S+ 0 0 95 1,-0.3 4,-2.1 -2,-0.3 -1,-0.2 0.758 106.4 67.2 -37.4 -34.1 57.6 58.0 19.4 21 22 A E H 3> S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.914 103.5 38.8 -58.2 -51.0 56.3 59.6 22.6 22 23 A T H <> S+ 0 0 6 -3,-1.8 4,-3.0 1,-0.2 5,-0.4 0.890 111.9 60.5 -67.5 -39.5 59.4 61.7 23.2 23 24 A M H X S+ 0 0 4 -4,-1.9 4,-0.8 -12,-0.2 5,-0.3 0.890 106.4 47.0 -51.9 -41.2 59.6 62.3 19.5 24 25 A N H X S+ 0 0 72 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.943 120.4 36.5 -65.4 -52.4 56.1 63.9 19.8 25 26 A I H X>S+ 0 0 66 -4,-1.9 4,-2.6 2,-0.2 5,-0.6 0.985 114.1 53.2 -64.0 -64.0 57.0 66.1 22.8 26 27 A H H <>S+ 0 0 5 -4,-3.0 5,-1.5 1,-0.2 -1,-0.2 0.704 122.2 34.8 -46.6 -25.2 60.6 66.9 21.9 27 28 A H H <>S+ 0 0 9 -4,-0.8 5,-1.4 -5,-0.4 -2,-0.2 0.902 124.3 34.7 -96.3 -59.9 59.2 68.1 18.5 28 29 A T H <5S+ 0 0 41 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.473 131.8 28.3 -79.8 -4.1 55.8 69.6 19.0 29 30 A K T X5S+ 0 0 114 -4,-2.6 4,-3.2 -5,-0.2 -3,-0.2 0.625 124.7 27.3-115.7 -86.5 56.7 71.1 22.4 30 31 A H H >X S+ 0 0 67 -4,-3.2 4,-2.8 1,-0.3 3,-0.5 0.923 105.8 50.9 -45.5 -52.5 58.7 76.7 21.9 34 35 A Y H 3X S+ 0 0 29 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.3 0.904 107.8 51.2 -54.3 -45.7 62.2 77.7 20.7 35 36 A V H 3X S+ 0 0 6 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.3 0.834 114.6 47.2 -61.4 -29.8 60.8 78.7 17.3 36 37 A T H X S+ 0 0 0 -4,-2.4 3,-2.8 -5,-0.4 4,-1.5 0.999 108.3 42.4 -63.4 -70.9 62.8 83.2 18.8 39 40 A N H 3< S+ 0 0 46 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.810 113.0 57.1 -46.6 -35.8 60.4 84.9 16.4 40 41 A G T 3< S+ 0 0 60 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.307 104.8 50.5 -83.2 9.5 59.0 86.9 19.3 41 42 A A T <4 S+ 0 0 18 -3,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.723 106.5 50.2-108.9 -44.2 62.4 88.4 20.2 42 43 A L S >< S+ 0 0 5 -4,-1.5 3,-1.2 2,-0.1 2,-0.6 0.422 84.0 126.7 -72.8 0.5 63.4 89.7 16.8 43 44 A E T 3 S+ 0 0 127 -5,-0.3 -3,-0.1 1,-0.3 3,-0.1 -0.507 84.3 3.8 -65.8 111.3 59.9 91.2 16.9 44 45 A G T 3 S+ 0 0 68 -2,-0.6 2,-1.6 1,-0.1 -1,-0.3 0.111 100.0 110.6 100.4 -21.3 60.6 94.8 16.1 45 46 A H X> - 0 0 67 -3,-1.2 4,-2.1 1,-0.2 3,-1.0 -0.596 51.2-174.1 -90.6 76.1 64.3 94.4 15.6 46 47 A E H 3> S+ 0 0 160 -2,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.834 72.0 47.3 -35.8 -74.9 64.1 95.1 11.8 47 48 A D H >4 S+ 0 0 117 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.806 116.3 48.9 -48.4 -32.5 67.7 94.5 10.5 48 49 A L H X4 S+ 0 0 2 -3,-1.0 3,-3.2 1,-0.2 -1,-0.2 0.956 99.8 62.8 -70.1 -53.3 67.8 91.2 12.4 49 50 A K H 3< S+ 0 0 100 -4,-2.1 -1,-0.2 -7,-0.3 -2,-0.2 0.506 99.8 59.1 -51.9 -5.0 64.4 90.0 11.2 50 51 A N T << S+ 0 0 134 -3,-0.6 2,-0.3 -4,-0.6 -1,-0.3 0.309 88.5 95.4-109.0 7.1 65.9 90.0 7.7 51 52 A K S < S- 0 0 73 -3,-3.2 2,-0.1 1,-0.1 -3,-0.0 -0.763 77.4-110.1-105.2 148.6 68.7 87.6 8.5 52 53 A S > - 0 0 54 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.388 34.9-111.3 -68.1 145.5 69.0 83.8 7.9 53 54 A L H > S+ 0 0 26 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.876 119.4 51.5 -44.7 -43.5 68.9 81.7 11.1 54 55 A N H > S+ 0 0 99 2,-0.2 4,-3.3 3,-0.2 -1,-0.2 0.980 112.4 41.5 -60.7 -60.2 72.5 80.9 10.4 55 56 A D H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.973 116.9 51.3 -50.0 -57.1 73.8 84.4 9.9 56 57 A L H < S+ 0 0 2 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 114.4 42.3 -44.2 -51.3 71.7 85.4 12.9 57 58 A I H < S+ 0 0 3 -4,-3.1 3,-0.3 -5,-0.3 -1,-0.2 0.894 112.7 55.5 -66.1 -43.2 73.2 82.7 15.0 58 59 A S H < S+ 0 0 40 -4,-3.3 2,-1.9 1,-0.2 -2,-0.2 0.979 107.0 44.0 -51.8 -78.9 76.7 83.2 13.8 59 60 A N >< + 0 0 108 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 -0.540 65.2 168.8 -75.8 80.6 77.2 86.9 14.5 60 61 A L T 3 + 0 0 26 -2,-1.9 -1,-0.2 -3,-0.3 -2,-0.1 0.311 68.5 71.0 -76.0 7.6 75.7 86.9 18.0 61 62 A D T 3 S+ 0 0 124 1,-0.1 -1,-0.2 7,-0.0 7,-0.1 0.868 80.4 65.8 -91.4 -42.2 77.2 90.4 18.4 62 63 A A S < S+ 0 0 54 -3,-0.5 -2,-0.1 -6,-0.1 -1,-0.1 0.647 88.1 88.9 -54.6 -14.6 74.9 92.3 16.0 63 64 A V S S- 0 0 1 -4,-0.2 5,-0.1 -7,-0.1 6,-0.0 -0.738 90.2-110.1 -89.7 132.3 72.1 91.5 18.5 64 65 A P >> - 0 0 44 0, 0.0 3,-2.1 0, 0.0 4,-1.4 -0.235 24.7-115.8 -58.6 146.9 71.6 94.0 21.3 65 66 A E H >> S+ 0 0 144 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.914 110.6 70.3 -47.4 -49.6 72.6 92.9 24.8 66 67 A N H 34 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.615 121.4 11.3 -46.0 -20.8 69.0 93.2 25.9 67 68 A I H <> S+ 0 0 24 -3,-2.1 4,-2.1 2,-0.1 5,-0.3 0.296 94.1 106.7-142.3 5.6 68.0 90.1 23.8 68 69 A R H X S+ 0 0 86 -4,-0.7 4,-2.3 1,-0.2 3,-0.5 0.937 108.7 50.3 -53.8 -54.1 70.8 85.8 25.2 70 71 A A H 3> S+ 0 0 32 1,-0.3 4,-1.9 2,-0.2 5,-0.5 0.860 109.9 49.5 -56.0 -39.7 67.3 84.9 24.0 71 72 A V H 3X S+ 0 0 0 -4,-2.1 4,-0.8 3,-0.2 -1,-0.3 0.781 116.1 48.7 -70.2 -24.1 68.4 84.8 20.3 72 73 A R H X S+ 0 0 28 -4,-1.7 3,-1.4 2,-0.2 4,-0.8 0.918 110.7 59.4 -68.5 -49.2 69.5 69.6 12.2 84 85 A F H >< S+ 0 0 5 -4,-2.7 3,-2.5 1,-0.3 -2,-0.2 0.918 96.7 59.5 -46.6 -57.6 68.9 66.7 14.7 85 86 A W H 3< S+ 0 0 4 -4,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.765 108.7 46.6 -44.3 -33.1 65.6 65.7 13.1 86 87 A K H << S+ 0 0 108 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.592 95.4 74.3 -89.5 -13.0 67.4 65.1 9.8 87 88 A L S << S+ 0 0 1 -3,-2.5 2,-0.3 -4,-0.8 -1,-0.2 -0.146 93.9 59.2 -93.3 38.9 70.3 63.1 11.3 88 89 A M + 0 0 4 -3,-0.4 100,-0.2 100,-0.3 3,-0.1 -0.971 58.0 176.9-156.9 159.6 68.2 60.0 11.9 89 90 A S > - 0 0 17 98,-1.1 3,-1.7 -2,-0.3 -75,-0.0 -0.886 39.6-134.2-172.4 138.9 66.1 57.6 9.8 90 91 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -76,-0.0 0.797 119.5 44.2 -60.6 -28.1 64.0 54.5 9.9 91 92 A N T 3 S+ 0 0 149 96,-0.1 2,-0.2 -3,-0.1 96,-0.1 -0.285 109.6 78.2-108.9 39.6 66.0 53.5 6.9 92 93 A G < + 0 0 34 -3,-1.7 97,-0.2 94,-0.1 96,-0.2 -0.448 44.3 83.2-128.0-161.2 69.4 54.7 8.3 93 94 A G + 0 0 17 95,-2.1 97,-0.4 94,-0.3 2,-0.3 -0.527 44.8 102.5 94.0-160.4 72.2 53.7 10.6 94 95 A G S S- 0 0 60 91,-0.2 94,-0.1 -2,-0.2 -1,-0.1 -0.617 81.1 -28.7 88.5-143.6 75.1 51.4 9.9 95 96 A K S S- 0 0 167 -2,-0.3 95,-0.1 1,-0.1 6,-0.1 -0.788 73.3 -89.0-110.5 151.7 78.6 52.6 9.2 96 97 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.125 42.6-162.1 -58.3 161.2 79.7 56.0 7.7 97 98 A T + 0 0 73 93,-0.2 3,-0.4 4,-0.0 4,-0.2 -0.902 41.9 27.1-141.8 163.5 80.0 56.4 3.9 98 99 A G S >> S- 0 0 39 -2,-0.3 3,-1.7 1,-0.2 4,-1.3 -0.193 114.1 -37.2 76.7-170.5 81.7 58.8 1.4 99 100 A E H 3> S+ 0 0 120 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.775 135.1 68.2 -53.9 -30.6 84.7 60.9 2.0 100 101 A V H 3> S+ 0 0 3 -3,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.866 98.8 50.4 -56.9 -40.3 83.3 61.4 5.5 101 102 A A H <> S+ 0 0 16 -3,-1.7 4,-1.8 -4,-0.2 -2,-0.2 0.971 111.5 46.0 -61.1 -59.5 84.1 57.8 6.1 102 103 A D H >X S+ 0 0 95 -4,-1.3 4,-3.0 1,-0.2 3,-1.3 0.959 112.3 50.2 -47.2 -64.8 87.7 58.0 4.8 103 104 A K H 3X S+ 0 0 47 -4,-3.0 4,-2.9 1,-0.3 -1,-0.2 0.851 107.0 56.9 -43.7 -43.0 88.3 61.2 6.8 104 105 A I H 3X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.3 0.892 111.6 41.2 -59.0 -40.7 86.9 59.4 9.9 105 106 A N H S- 0 0 50 -2,-1.9 4,-2.5 1,-0.1 3,-0.3 -0.919 77.3-118.9-130.9 156.5 88.7 53.4 12.5 111 112 A F H > S+ 0 0 16 -2,-0.3 4,-3.4 1,-0.3 5,-0.2 0.942 118.1 53.0 -55.9 -51.3 85.0 54.3 12.8 112 113 A E H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.832 108.5 53.8 -53.9 -31.3 84.6 52.2 15.9 113 114 A K H > S+ 0 0 20 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.971 109.3 45.4 -66.3 -53.2 87.5 54.3 17.2 114 115 A F H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-1.3 0.949 110.9 54.2 -52.2 -55.2 85.7 57.5 16.4 115 116 A Q H 3X S+ 0 0 48 -4,-3.4 4,-3.1 1,-0.3 5,-0.4 0.926 104.2 53.7 -44.2 -57.8 82.5 56.2 18.0 116 117 A E H 3X S+ 0 0 153 -4,-2.2 4,-0.9 1,-0.2 -1,-0.3 0.796 112.5 46.5 -49.9 -31.0 84.3 55.4 21.2 117 118 A E H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 3,-0.5 0.962 110.4 52.2 -57.0 -59.6 82.1 60.5 20.3 119 120 A A H 3X S+ 0 0 32 -4,-3.1 4,-1.2 1,-0.3 -1,-0.2 0.837 110.2 51.3 -45.8 -41.5 80.2 58.4 22.9 120 121 A A H 3X S+ 0 0 57 -4,-0.9 4,-0.9 -5,-0.4 -1,-0.3 0.882 111.4 46.6 -64.6 -42.8 82.7 59.6 25.5 121 122 A A H - 0 0 65 20,-0.1 3,-1.2 -2,-0.1 2,-0.3 -0.709 66.3 -48.3 -84.1 98.4 87.2 73.3 11.1 137 138 A N T 3 S- 0 0 50 -2,-1.1 20,-0.1 1,-0.2 64,-0.0 -0.573 122.1 -20.0 76.1-131.9 88.7 73.9 7.7 138 139 A G T 3 S+ 0 0 60 -2,-0.3 -1,-0.2 63,-0.1 2,-0.2 0.437 130.8 77.7 -86.7 0.9 89.7 70.7 5.9 139 140 A E < - 0 0 118 -3,-1.2 2,-0.4 -32,-0.0 -36,-0.0 -0.650 64.4-153.8-109.9 163.7 89.7 69.0 9.3 140 141 A I + 0 0 21 -5,-0.3 -5,-0.2 -2,-0.2 2,-0.2 -0.994 15.6 176.1-141.0 128.2 87.0 67.7 11.6 141 142 A E - 0 0 73 -2,-0.4 2,-0.4 -34,-0.0 -7,-0.3 -0.587 29.3-108.3-121.2-174.5 87.2 67.4 15.4 142 143 A I + 0 0 38 -9,-0.2 2,-0.2 -2,-0.2 -9,-0.2 -0.981 44.2 149.9-122.9 127.8 84.8 66.3 18.2 143 144 A M E -A 132 0A 30 -11,-1.5 -11,-3.1 -2,-0.4 2,-0.3 -0.793 33.7-132.8-142.2-176.9 83.4 68.8 20.7 144 145 A S E -A 131 0A 30 -13,-0.3 -13,-0.3 -2,-0.2 -2,-0.0 -0.932 11.3-153.5-149.3 120.9 80.4 69.5 22.9 145 146 A T E -A 130 0A 4 -15,-1.2 -15,-3.4 -2,-0.3 -20,-0.0 -0.793 25.0-121.9 -94.9 134.5 78.5 72.7 23.2 146 147 A P E > -A 129 0A 47 0, 0.0 3,-1.3 0, 0.0 -17,-0.4 -0.241 69.5 -20.4 -72.3 164.2 76.7 73.3 26.5 147 148 A I T 3 S- 0 0 72 -19,-1.1 17,-0.2 1,-0.3 -18,-0.2 -0.059 127.7 -31.0 40.5-121.5 72.9 74.0 26.8 148 149 A Q T 3 S+ 0 0 2 -19,-0.1 -1,-0.3 -20,-0.1 -68,-0.2 0.483 94.3 133.5-103.4 -4.3 71.8 75.2 23.4 149 150 A D < - 0 0 19 -3,-1.3 -19,-0.2 1,-0.1 -4,-0.2 -0.097 47.4-143.1 -43.5 145.4 74.9 76.9 22.2 150 151 A N > - 0 0 9 -93,-0.1 3,-2.6 1,-0.1 6,-0.1 -0.956 14.8-125.8-118.9 138.2 75.6 75.8 18.6 151 152 A P G > >S+ 0 0 0 0, 0.0 5,-2.0 0, 0.0 3,-1.9 0.682 105.1 75.0 -54.3 -19.2 79.2 75.3 17.3 152 153 A L G > 5S+ 0 0 22 1,-0.3 3,-0.8 3,-0.2 5,-0.1 0.695 83.3 70.7 -67.1 -15.2 78.5 77.7 14.4 153 154 A M G < 5S+ 0 0 44 -3,-2.6 -1,-0.3 1,-0.2 -93,-0.1 0.370 101.4 42.6 -82.1 4.0 78.9 80.3 17.1 154 155 A E G < 5S- 0 0 123 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.199 126.5 -95.0-129.8 7.4 82.6 79.6 17.2 155 156 A G T < 5S+ 0 0 58 -3,-0.8 2,-0.5 1,-0.2 -3,-0.2 0.612 86.2 127.0 87.2 14.1 83.2 79.4 13.5 156 157 A K < - 0 0 42 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.921 53.9-138.9-111.2 122.6 82.8 75.6 13.3 157 158 A K - 0 0 104 -22,-0.6 -22,-0.3 -2,-0.5 44,-0.1 -0.677 20.2-139.2 -82.8 118.6 80.4 74.1 10.9 158 159 A P + 0 0 22 0, 0.0 -24,-0.1 0, 0.0 3,-0.1 -0.318 32.0 165.0 -75.0 156.2 78.4 71.1 12.3 159 160 A I S S+ 0 0 0 1,-0.5 2,-0.3 -26,-0.1 37,-0.2 0.319 73.8 23.2-146.3 -10.7 77.6 67.9 10.4 160 161 A L + 0 0 0 36,-0.1 -27,-2.0 2,-0.0 -1,-0.5 -0.932 64.4 162.9-160.6 137.6 76.5 65.6 13.3 161 162 A G E -B 132 0A 2 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.2 -0.988 22.5-145.8-155.7 155.4 75.2 66.4 16.7 162 163 A L E -B 131 0A 0 -31,-2.0 -31,-1.2 -2,-0.3 2,-0.1 -0.965 21.1-127.9-132.7 118.4 73.4 64.6 19.5 163 164 A D E +B 130 0A 0 -2,-0.4 -33,-0.2 -33,-0.2 -2,-0.0 -0.421 29.8 176.2 -59.9 130.7 70.9 66.1 21.8 164 165 A V + 0 0 0 -35,-1.5 -1,-0.2 -17,-0.2 -34,-0.2 0.320 33.8 123.4-121.1 3.5 72.2 65.2 25.3 165 166 A W S > S- 0 0 42 -36,-0.2 3,-2.4 1,-0.2 5,-0.2 -0.400 75.4-118.0 -62.2 143.8 69.6 67.2 27.4 166 167 A E G >> S+ 0 0 112 1,-0.3 4,-2.6 2,-0.2 3,-1.0 0.646 112.3 70.7 -61.1 -11.8 67.9 64.7 29.7 167 168 A H G 34 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.2 -141,-0.2 0.589 88.0 63.4 -81.6 -7.9 64.7 65.5 27.9 168 169 A A G <4 S+ 0 0 4 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.412 127.8 1.9 -94.1 1.5 65.9 63.7 24.8 169 170 A Y T <>>S+ 0 0 6 -3,-1.0 4,-3.2 -4,-0.2 5,-0.8 0.455 93.3 104.0-160.2 -15.2 66.0 60.4 26.6 170 171 A Y T <5S+ 0 0 113 -4,-2.6 4,-0.5 3,-0.2 -3,-0.1 0.732 82.6 59.6 -53.8 -24.1 64.9 60.4 30.2 171 172 A L T 45S+ 0 0 88 -5,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.968 121.0 21.2 -69.2 -51.1 61.6 58.9 29.2 172 173 A K T 45S+ 0 0 89 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.845 141.8 21.8 -86.2 -37.2 63.0 55.7 27.7 173 174 A Y T ><5S- 0 0 24 -4,-3.2 3,-2.3 1,-0.2 -3,-0.2 0.481 76.7-170.4-112.4 -3.8 66.5 55.5 29.4 174 175 A Q T 3 + 0 0 85 -3,-2.3 4,-1.6 1,-0.2 3,-0.2 -0.438 41.5 160.5 -78.3 73.4 71.4 55.5 31.6 177 178 A R H > + 0 0 33 -2,-2.4 4,-3.0 1,-0.2 5,-0.2 0.895 67.1 60.7 -62.9 -42.4 72.8 58.0 29.1 178 179 A P H > S+ 0 0 74 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.929 104.7 50.8 -53.1 -42.0 75.5 55.7 27.7 179 180 A D H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.947 110.3 48.4 -58.2 -49.5 72.7 53.3 26.7 180 181 A Y H X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.915 113.1 49.6 -55.1 -43.8 70.8 56.2 24.9 181 182 A I H X S+ 0 0 2 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.922 110.2 48.5 -62.8 -47.6 74.1 57.1 23.2 182 183 A S H >< S+ 0 0 75 -4,-3.1 3,-0.8 1,-0.2 4,-0.4 0.962 111.0 51.8 -55.8 -53.8 74.8 53.6 22.0 183 184 A A H >X S+ 0 0 15 -4,-2.8 3,-1.7 1,-0.2 4,-0.6 0.847 95.6 71.2 -50.5 -42.1 71.3 53.3 20.7 184 185 A F H >X S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.3 4,-1.4 0.896 85.4 66.8 -42.2 -53.7 71.7 56.5 18.8 185 186 A W H << S+ 0 0 29 -4,-1.0 -1,-0.3 -3,-0.8 -91,-0.2 0.758 90.8 63.4 -41.1 -37.9 74.1 54.9 16.3 186 187 A N H <4 S+ 0 0 108 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.877 110.7 35.1 -60.2 -39.8 71.3 52.7 14.9 187 188 A V H << S+ 0 0 8 -3,-1.7 -98,-1.1 -4,-0.6 -94,-0.3 0.709 84.8 120.7 -89.1 -22.7 69.2 55.6 13.6 188 189 A V < - 0 0 0 -4,-1.4 -95,-2.1 -100,-0.2 2,-0.9 -0.176 57.9-140.8 -49.4 126.1 72.0 58.0 12.5 189 190 A N > - 0 0 33 -97,-0.2 4,-1.4 1,-0.2 3,-0.3 -0.808 17.8-175.1 -92.9 102.3 71.7 58.7 8.8 190 191 A W H > S+ 0 0 6 -2,-0.9 4,-2.4 -97,-0.4 -93,-0.2 0.737 79.3 70.3 -72.1 -20.1 75.2 58.9 7.4 191 192 A D H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.970 101.8 45.1 -58.8 -49.1 73.9 60.0 4.0 192 193 A E H > S+ 0 0 48 -3,-0.3 4,-3.3 1,-0.2 5,-0.3 0.934 109.0 54.7 -58.4 -49.3 73.0 63.3 5.6 193 194 A V H X S+ 0 0 0 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.895 108.1 52.7 -49.4 -43.8 76.3 63.6 7.4 194 195 A A H >X S+ 0 0 26 -4,-2.4 4,-2.0 2,-0.2 3,-1.4 0.960 111.9 41.9 -55.5 -60.8 77.9 63.1 4.0 195 196 A A H 3X S+ 0 0 53 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.890 111.6 56.1 -54.4 -45.7 75.9 65.9 2.3 196 197 A Q H 3X S+ 0 0 25 -4,-3.3 4,-0.9 1,-0.2 -1,-0.3 0.647 107.7 52.8 -63.3 -17.1 76.4 68.1 5.3 197 198 A Y H