==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-11 3QVN . COMPND 2 MOLECULE: MANGANESE-CONTAINING SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR Y.SHENG,D.CASCIO,J.S.VALENTINE . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 74.6 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 . 20 9.8 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 4.4 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 0 0 0 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 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 . 1 0 0 0 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 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 1 A M 0 0 156 0, 0.0 2,-0.3 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 63.4 47.3 22.0 74.1 2 2 A I - 0 0 30 43,-0.1 2,-0.1 1,-0.1 47,-0.1 -0.582 360.0-147.6 -77.3 130.5 44.6 19.9 72.5 3 3 A T >> - 0 0 59 -2,-0.3 4,-1.6 1,-0.0 3,-1.1 -0.305 25.3 -94.0 -95.8 179.1 45.7 16.2 72.0 4 4 A E G >4 S+ 0 0 151 1,-0.3 3,-0.6 2,-0.2 -1,-0.0 0.962 121.4 39.9 -57.2 -63.0 44.9 13.6 69.3 5 5 A N G 34 S+ 0 0 150 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.288 113.8 59.1 -76.4 13.1 42.0 11.8 71.0 6 6 A E G <4 S+ 0 0 78 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.736 87.2 83.5-104.1 -35.8 40.6 15.1 72.3 7 7 A K << - 0 0 99 -4,-1.6 2,-0.2 -3,-0.6 34,-0.0 -0.384 65.3-145.7 -77.0 147.3 40.0 17.0 69.0 8 8 A I - 0 0 37 33,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.496 11.4-164.3-102.4 174.9 36.9 16.5 66.9 9 9 A S - 0 0 86 -2,-0.2 29,-0.0 68,-0.0 33,-0.0 -0.956 36.3 -74.3-151.4 168.1 36.3 16.6 63.1 10 10 A L - 0 0 60 -2,-0.3 2,-0.1 1,-0.1 28,-0.0 -0.498 54.2-123.0 -67.3 131.3 33.6 16.9 60.5 11 11 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.398 23.6-103.3 -75.3 152.6 31.6 13.6 60.3 12 12 A K - 0 0 93 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.667 37.9-140.0 -76.6 120.9 31.1 11.6 57.1 13 13 A I - 0 0 47 -2,-0.5 72,-0.1 1,-0.1 68,-0.0 -0.656 3.1-143.8 -89.7 139.2 27.6 12.3 55.8 14 14 A D S S+ 0 0 127 -2,-0.3 2,-0.3 73,-0.1 -1,-0.1 0.180 75.4 52.4 -91.1 17.4 25.6 9.4 54.3 15 15 A W S S- 0 0 27 73,-0.1 2,-0.1 5,-0.0 -2,-0.1 -0.989 83.3-100.4-150.1 158.6 23.9 11.4 51.5 16 16 A A > - 0 0 50 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.426 38.1-109.8 -79.1 153.2 24.6 13.8 48.6 17 17 A L T 3 S+ 0 0 64 1,-0.3 12,-0.3 2,-0.1 3,-0.2 0.693 120.7 37.8 -55.9 -20.7 24.1 17.5 48.9 18 18 A D T > S+ 0 0 83 1,-0.1 3,-1.9 8,-0.1 -1,-0.3 0.428 86.2 97.9-110.8 -1.8 21.1 17.3 46.6 19 19 A A T < S+ 0 0 34 -3,-1.8 71,-0.4 1,-0.3 72,-0.3 0.567 81.7 56.3 -66.0 -8.2 19.7 14.0 47.8 20 20 A L T >> S+ 0 0 0 4,-0.3 4,-2.0 -4,-0.3 3,-1.5 0.279 90.7 157.4-109.0 8.5 17.2 15.9 50.0 21 21 A E T <4 + 0 0 75 -3,-1.9 4,-0.1 1,-0.3 -3,-0.0 -0.476 51.2 24.7 -77.9 154.0 15.6 18.0 47.2 22 22 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.891 127.3 50.6 -91.5 26.5 13.2 19.5 46.6 23 23 A Y T <4 S+ 0 0 67 -3,-1.5 2,-0.4 1,-0.3 -2,-0.3 0.883 123.7 20.4 -87.3 -43.0 12.8 19.7 50.4 24 24 A I S < S- 0 0 5 -4,-2.0 -4,-0.3 -6,-0.1 -1,-0.3 -0.971 85.9-129.3-129.1 118.0 16.3 21.0 51.2 25 25 A S > - 0 0 14 -2,-0.4 4,-2.0 -3,-0.2 3,-0.5 -0.235 13.8-127.7 -63.0 149.4 18.3 22.7 48.5 26 26 A K H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.751 110.0 65.7 -67.4 -23.9 21.9 21.5 47.8 27 27 A E H > S+ 0 0 101 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.866 105.9 42.4 -65.3 -36.9 22.8 25.2 48.1 28 28 A I H > S+ 0 0 2 -3,-0.5 4,-4.0 2,-0.2 5,-0.2 0.969 112.7 50.5 -71.2 -57.2 21.8 25.1 51.8 29 29 A N H X S+ 0 0 2 -4,-2.0 4,-2.2 -12,-0.3 5,-0.5 0.836 110.6 52.6 -50.3 -36.7 23.3 21.7 52.6 30 30 A D H X S+ 0 0 84 -4,-2.0 4,-0.6 1,-0.2 5,-0.3 0.956 116.2 36.9 -63.5 -55.6 26.6 22.9 51.1 31 31 A L H X>S+ 0 0 71 -4,-1.4 5,-1.5 3,-0.2 4,-0.8 0.836 117.7 53.3 -64.9 -41.7 26.8 26.1 53.1 32 32 A H H X>S+ 0 0 2 -4,-4.0 5,-2.3 3,-0.2 4,-1.4 1.000 119.8 26.7 -66.1 -56.0 25.3 24.5 56.2 33 33 A I H X>S+ 0 0 5 -4,-2.2 5,-1.9 1,-0.2 4,-1.1 0.948 130.8 35.5 -66.6 -68.1 27.6 21.6 56.6 34 34 A N H <5S+ 0 0 67 -4,-0.6 -1,-0.2 -5,-0.5 -3,-0.2 0.553 133.0 30.0 -62.6 -16.7 30.7 22.7 54.9 35 35 A K H X5S+ 0 0 136 -4,-0.8 4,-0.8 -5,-0.3 -3,-0.2 0.806 128.7 27.1-109.8 -49.9 30.3 26.2 56.2 36 36 A H H XS+ 0 0 26 -4,-1.0 4,-3.1 -3,-0.4 5,-0.8 0.957 98.7 56.2 -73.5 -54.8 41.5 26.0 78.0 52 52 A E H <5S+ 0 0 65 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.773 115.0 45.4 -47.0 -26.8 44.6 23.8 78.6 53 53 A K H <5S+ 0 0 146 -4,-0.8 4,-0.3 -5,-0.2 -1,-0.2 0.927 117.8 37.8 -83.7 -52.4 46.4 27.2 78.5 54 54 A A H ><>S+ 0 0 4 -4,-2.1 5,-1.9 1,-0.2 3,-1.2 0.939 122.7 42.9 -66.6 -49.8 44.2 29.3 80.7 55 55 A V G ><5S+ 0 0 81 -4,-3.1 3,-1.9 1,-0.2 -1,-0.2 0.883 103.8 68.0 -60.9 -39.9 43.4 26.6 83.2 56 56 A G G 3 >< + 0 0 55 -5,-1.9 4,-2.6 1,-0.2 3,-0.7 -0.749 12.0 170.4-108.7 82.2 43.4 32.3 85.0 60 60 A L H 3> S+ 0 0 117 -2,-0.7 4,-2.9 1,-0.2 5,-0.3 0.764 70.9 66.6 -67.4 -26.8 39.7 32.0 85.8 61 61 A K H 3> S+ 0 0 183 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.899 113.0 33.8 -59.8 -39.8 38.7 35.2 84.1 62 62 A S H <> S+ 0 0 48 -3,-0.7 4,-3.0 2,-0.2 5,-0.3 0.882 114.6 58.1 -79.3 -43.0 39.7 33.5 80.8 63 63 A V H X S+ 0 0 23 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.896 110.2 44.4 -53.3 -43.2 38.6 30.1 81.9 64 64 A V H X S+ 0 0 100 -4,-2.9 4,-0.7 2,-0.2 -1,-0.2 0.844 113.1 51.5 -71.3 -34.1 35.1 31.4 82.5 65 65 A E H >X S+ 0 0 139 -4,-0.9 4,-0.7 -5,-0.3 3,-0.6 0.890 109.2 49.3 -69.1 -41.0 35.1 33.4 79.2 66 66 A I H 3X S+ 0 0 21 -4,-3.0 4,-1.8 1,-0.2 3,-0.3 0.786 94.4 76.8 -69.7 -28.3 36.2 30.3 77.2 67 67 A Q H 3X S+ 0 0 92 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.881 90.5 54.6 -47.8 -45.8 33.4 28.3 78.8 68 68 A Q H S+ 0 0 80 -4,-0.7 4,-2.9 -3,-0.3 5,-0.5 0.843 109.4 52.0 -60.2 -36.0 32.6 29.1 73.4 70 70 A I H X5S+ 0 0 33 -4,-1.8 4,-1.3 1,-0.2 5,-0.3 0.875 110.3 47.8 -69.4 -37.6 32.9 25.4 74.4 71 71 A K H X5S+ 0 0 99 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.859 118.0 43.9 -67.4 -34.9 29.2 25.2 75.2 72 72 A F H X5S+ 0 0 52 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.967 122.4 31.1 -77.8 -58.4 28.4 26.9 71.8 73 73 A H H X5S+ 0 0 36 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.896 121.8 51.3 -69.7 -40.9 30.8 25.1 69.4 74 74 A G H X< S+ 0 0 6 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.874 110.5 58.2 -60.9 -37.2 22.6 14.8 59.5 85 85 A K H 3< S+ 0 0 95 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.783 106.6 46.3 -69.1 -29.3 22.1 11.4 61.1 86 86 A N T 3< S+ 0 0 0 -4,-1.3 110,-2.3 -3,-0.5 2,-0.4 0.013 100.9 86.1-101.0 27.8 18.3 11.8 61.3 87 87 A L B < +A 195 0A 2 -3,-1.5 108,-0.2 108,-0.3 -73,-0.1 -0.983 50.9 159.3-123.5 140.8 18.1 13.0 57.7 88 88 A A - 0 0 3 106,-2.7 5,-0.1 -2,-0.4 -73,-0.1 -0.989 43.3 -96.0-156.8 149.2 17.9 10.8 54.6 89 89 A P > > - 0 0 18 0, 0.0 5,-1.9 0, 0.0 3,-0.6 -0.402 40.4-114.1 -62.4 142.7 16.7 10.9 51.0 90 90 A V G > 5S+ 0 0 86 -71,-0.4 3,-1.1 1,-0.3 -70,-0.1 0.829 121.2 59.8 -45.8 -33.6 13.2 9.7 50.4 91 91 A S G 3 5S+ 0 0 123 -72,-0.3 -1,-0.3 1,-0.2 -72,-0.0 0.951 103.6 46.0 -56.5 -54.7 15.0 7.0 48.5 92 92 A K G < 5S- 0 0 68 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.169 137.7 -79.5 -82.8 19.7 17.0 5.8 51.6 93 93 A G T X 5S+ 0 0 32 -3,-1.1 3,-2.7 1,-0.3 104,-0.2 0.131 76.1 157.1 109.8 -19.9 13.9 5.8 53.7 94 94 A G T 3 - 0 0 77 1,-0.2 3,-1.9 -3,-0.1 6,-0.3 -0.375 15.1-138.8 -66.2 133.7 6.7 1.2 62.7 100 100 A T T 3 S+ 0 0 123 1,-0.3 -1,-0.2 5,-0.2 9,-0.0 0.583 109.4 51.4 -64.1 -7.8 3.4 0.6 64.6 101 101 A S T 3 S+ 0 0 92 4,-0.0 -1,-0.3 5,-0.0 2,-0.2 0.324 93.9 91.0-112.3 2.9 5.2 -2.6 65.7 102 102 A S S <> S- 0 0 19 -3,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.609 83.7-116.0 -96.8 161.0 8.5 -0.9 66.9 103 103 A A H > S+ 0 0 59 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.957 116.6 45.5 -58.6 -53.0 9.2 0.3 70.4 104 104 A L H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 113.3 51.2 -58.4 -42.4 9.4 4.0 69.4 105 105 A G H > S+ 0 0 2 -6,-0.3 4,-1.6 1,-0.2 3,-0.3 0.933 109.9 47.6 -61.2 -49.1 6.3 3.7 67.3 106 106 A K H X S+ 0 0 130 -4,-2.6 4,-1.5 -7,-0.3 -1,-0.2 0.843 110.1 54.5 -61.5 -34.5 4.2 2.2 70.0 107 107 A Q H X S+ 0 0 49 -4,-2.0 4,-1.9 -5,-0.2 5,-0.3 0.831 105.9 51.5 -69.5 -33.6 5.5 4.9 72.4 108 108 A I H X>S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.3 5,-0.6 0.851 110.9 47.8 -71.5 -34.6 4.3 7.7 70.1 109 109 A V H <5S+ 0 0 73 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.780 111.8 50.7 -77.1 -27.9 0.8 6.2 69.8 110 110 A A H <5S+ 0 0 81 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.917 124.3 26.3 -73.9 -44.7 0.6 5.8 73.6 111 111 A Q H <5S+ 0 0 78 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.829 142.6 17.4 -88.4 -36.1 1.6 9.4 74.4 112 112 A Y T <5S- 0 0 32 -4,-2.3 2,-0.4 -5,-0.3 -3,-0.2 0.504 89.4-131.9-117.7 -10.2 0.6 11.2 71.3 113 113 A G S S- 0 0 49 -6,-0.5 4,-1.7 -2,-0.4 3,-0.2 -0.977 71.6-120.2-162.0 151.3 -0.1 9.1 66.2 115 115 A V H > S+ 0 0 16 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.845 113.9 64.2 -60.1 -33.3 3.1 10.2 64.6 116 116 A S H >> S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.938 103.6 44.1 -54.2 -51.3 1.0 12.8 62.8 117 117 A N H 3> S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 107.4 58.8 -65.2 -38.0 0.0 14.5 66.0 118 118 A L H 3X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.808 105.6 51.9 -60.1 -30.2 3.6 14.4 67.4 119 119 A I H > -BC 146 163B 26 6,-2.8 5,-1.1 -2,-0.6 6,-1.0 -0.789 10.4-172.0 -89.9 112.8 13.7 10.7 79.5 141 141 A K T 3 5S+ 0 0 116 21,-3.2 3,-0.4 -2,-0.7 -1,-0.1 0.583 78.8 61.5 -81.4 -10.6 15.3 7.6 81.0 142 142 A Q T 3 5S+ 0 0 137 20,-0.3 -1,-0.2 1,-0.2 21,-0.1 0.590 106.2 43.9 -93.7 -10.7 14.6 8.6 84.6 143 143 A N T < 5S- 0 0 95 -3,-0.6 -1,-0.2 3,-0.1 -2,-0.1 -0.070 135.4 -70.6-123.3 33.7 10.8 8.6 84.3 144 144 A G T 5S- 0 0 69 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.816 81.9 -67.6 87.8 34.3 10.2 5.4 82.3 145 145 A G S -B 133 0B 49 -2,-0.3 3,-2.0 -20,-0.3 -20,-0.3 -0.792 68.1 -33.2-100.5 136.6 18.2 28.1 72.4 154 154 A N T 3 S- 0 0 72 -22,-2.0 17,-0.2 -2,-0.4 -2,-0.1 -0.348 127.1 -18.2 59.9-128.9 21.1 28.6 69.9 155 155 A Q T 3 S+ 0 0 0 -2,-0.1 -1,-0.3 -23,-0.1 -76,-0.2 0.421 96.2 134.0 -90.0 -0.3 23.6 25.7 70.0 156 156 A D < - 0 0 53 -3,-2.0 2,-0.3 1,-0.1 -4,-0.2 -0.184 37.6-167.9 -50.2 143.9 22.3 24.4 73.4 157 157 A T - 0 0 29 -86,-0.1 2,-1.0 -5,-0.0 3,-0.2 -0.893 35.2 -79.7-135.8 163.1 21.9 20.7 73.2 158 158 A I + 0 0 23 -2,-0.3 -6,-0.0 1,-0.2 -2,-0.0 -0.516 60.5 152.3 -64.0 100.8 20.4 17.8 75.2 159 159 A S + 0 0 108 -2,-1.0 -1,-0.2 5,-0.1 -3,-0.0 0.594 24.8 117.7-110.6 -18.1 23.1 17.3 77.8 160 160 A A > - 0 0 29 1,-0.2 3,-1.9 -3,-0.2 -2,-0.0 -0.348 66.3-134.7 -55.1 124.4 21.2 15.9 80.7 161 161 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.745 105.1 49.9 -55.3 -28.1 22.6 12.4 81.3 162 162 A H T 3 S+ 0 0 58 -22,-0.1 -21,-3.2 -21,-0.0 2,-0.4 0.553 98.6 81.8 -90.2 -10.1 19.1 11.0 81.7 163 163 A L E < -C 140 0B 43 -3,-1.9 -23,-0.2 -23,-0.2 -25,-0.0 -0.791 58.8-167.3 -99.2 140.2 17.8 12.6 78.4 164 164 A V E -C 139 0B 33 -25,-1.6 -25,-2.3 -2,-0.4 2,-0.2 -0.967 20.2-130.0-130.7 116.5 18.5 11.1 75.0 165 165 A P E +C 138 0B 25 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.456 27.5 173.1 -66.6 126.3 17.9 13.0 71.7 166 166 A I E S+ 0 0 1 -29,-2.7 2,-0.4 1,-0.4 37,-0.2 0.832 70.2 11.9 -99.6 -48.1 15.8 11.0 69.3 167 167 A I E -C 137 0B 1 -30,-1.0 -30,-1.7 36,-0.1 2,-0.4 -0.996 65.8-160.1-135.3 130.4 15.2 13.6 66.5 168 168 A A E -C 136 0B 0 -2,-0.4 2,-0.4 -86,-0.3 -32,-0.2 -0.909 5.8-172.1-109.4 136.1 17.0 16.9 66.1 169 169 A I E -C 135 0B 1 -34,-2.1 -34,-1.8 -2,-0.4 2,-0.3 -0.972 19.9-133.7-130.8 120.9 15.5 19.8 64.0 170 170 A D E +C 134 0B 0 -2,-0.4 -36,-0.2 -36,-0.2 -44,-0.0 -0.502 21.6 178.4 -73.7 131.2 17.5 22.9 63.2 171 171 A A + 0 0 7 -38,-1.9 -37,-0.2 -2,-0.3 -1,-0.1 0.374 41.0 119.7-114.5 0.4 15.6 26.2 63.6 172 172 A W S >> S- 0 0 41 -39,-0.3 3,-1.2 1,-0.1 4,-0.6 -0.374 71.9-124.1 -61.5 144.8 18.4 28.6 62.7 173 173 A E H >> S+ 0 0 121 1,-0.3 4,-3.5 2,-0.2 3,-1.1 0.864 109.3 66.2 -60.9 -33.3 17.6 30.7 59.7 174 174 A H H 34 S+ 0 0 36 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.780 93.7 61.9 -59.1 -31.3 20.7 29.5 58.0 175 175 A A H <4 S+ 0 0 2 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.843 127.0 5.0 -63.5 -38.9 19.1 26.1 57.8 176 176 A Y H XX>S+ 0 0 9 -3,-1.1 4,-2.7 -4,-0.6 3,-0.7 0.509 99.4 96.4-126.0 -6.5 16.1 27.2 55.7 177 177 A Y H 3X5S+ 0 0 108 -4,-3.5 4,-1.4 3,-0.2 -3,-0.1 0.835 78.5 57.1 -61.7 -41.8 16.4 30.9 54.6 178 178 A L H 345S+ 0 0 101 -4,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.800 123.5 26.7 -59.4 -30.5 17.9 30.6 51.1 179 179 A Q H <45S+ 0 0 57 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.730 140.2 19.1-105.4 -35.3 15.0 28.4 50.0 180 180 A Y H ><5S- 0 0 31 -4,-2.7 3,-1.3 1,-0.2 -3,-0.2 0.557 79.8-172.9-113.5 -15.3 12.1 29.4 52.3 181 181 A Q T 3< + 0 0 53 -3,-1.3 4,-1.0 1,-0.2 3,-0.9 -0.299 42.8 157.1 -65.0 70.2 8.3 31.4 55.7 184 184 A K H 3> + 0 0 70 -2,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.752 64.6 73.1 -66.0 -23.3 9.8 29.0 58.3 185 185 A L H 3> S+ 0 0 94 -3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.847 96.9 47.7 -59.4 -36.2 6.4 27.4 58.6 186 186 A D H <> S+ 0 0 80 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.892 110.8 50.8 -71.7 -41.0 6.9 25.8 55.2 187 187 A Y H X S+ 0 0 4 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.911 107.3 53.4 -62.2 -44.1 10.4 24.6 56.1 188 188 A F H < S+ 0 0 4 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.895 114.7 41.0 -60.2 -42.2 9.2 23.0 59.4 189 189 A K H >< S+ 0 0 122 -4,-1.4 3,-1.4 -5,-0.2 4,-0.3 0.956 114.7 50.3 -68.5 -51.7 6.5 21.0 57.6 190 190 A A H >< S+ 0 0 16 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.779 96.4 69.3 -61.2 -31.1 8.6 20.0 54.6 191 191 A I G >< S+ 0 0 1 -4,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.722 84.7 70.0 -66.7 -20.5 11.5 18.7 56.5 192 192 A W G X S+ 0 0 16 -3,-1.4 3,-0.7 -4,-0.4 -1,-0.3 0.713 84.7 70.9 -69.2 -18.7 9.5 15.7 57.8 193 193 A N G < S+ 0 0 69 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.571 108.8 33.6 -73.0 -9.0 9.6 14.3 54.3 194 194 A V G < S+ 0 0 0 -3,-1.6 -106,-2.7 -4,-0.2 2,-0.4 0.221 85.1 128.5-130.2 10.8 13.3 13.6 54.7 195 195 A I B < -A 87 0A 0 -3,-0.7 -100,-2.4 -108,-0.2 2,-1.3 -0.568 56.7-135.6 -72.1 127.3 13.4 12.7 58.4 196 196 A N >> + 0 0 33 -110,-2.3 4,-1.0 -2,-0.4 3,-0.9 -0.673 27.7 174.5 -87.1 88.9 15.2 9.4 59.0 197 197 A W H 3> S+ 0 0 4 -2,-1.3 4,-2.6 -101,-0.5 5,-0.2 0.729 74.0 70.6 -67.7 -22.2 13.0 7.7 61.6 198 198 A A H 3> S+ 0 0 62 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.873 99.2 48.1 -60.8 -37.0 15.2 4.6 61.3 199 199 A E H <> S+ 0 0 43 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.836 108.7 54.5 -70.9 -34.0 17.9 6.5 63.2 200 200 A A H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.929 107.8 48.1 -63.5 -46.9 15.3 7.6 65.7 201 201 A E H < S+ 0 0 46 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.832 111.0 53.5 -61.7 -32.7 14.3 4.0 66.4 202 202 A S H >< S+ 0 0 75 -4,-1.3 3,-0.9 -5,-0.2 -2,-0.2 0.900 110.1 45.6 -67.3 -42.8 18.1 3.3 66.7 203 203 A R H 3< S+ 0 0 33 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.747 102.2 66.6 -72.9 -24.8 18.5 6.0 69.3 204 204 A Y T 3< 0 0 22 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.625 360.0 360.0 -73.6 -12.0 15.5 4.9 71.2 205 205 A S < 0 0 123 -3,-0.9 -3,-0.1 -4,-0.4 -4,-0.0 0.071 360.0 360.0-126.5 360.0 17.2 1.6 72.1