==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-MAY-12 4FDV . COMPND 2 MOLECULE: PRECORRIN-8X METHYLMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR R.W.PICKERSGILL,S.SCHROEDER,E.DEERY,M.J.WARREN . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 12 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 1 0 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 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 2 A P 0 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.3 22.6 30.8 9.7 2 3 A H - 0 0 171 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.581 360.0-145.5 -70.7 130.3 19.3 29.0 10.5 3 4 A E + 0 0 159 -2,-0.3 2,-0.3 2,-0.0 -1,-0.0 -0.781 32.3 145.5 -97.7 143.0 17.2 28.4 7.4 4 5 A Y - 0 0 155 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.969 53.3 -79.3-168.3 161.3 13.4 28.5 7.6 5 6 A E + 0 0 78 -2,-0.3 -2,-0.0 1,-0.1 3,-0.0 -0.569 39.0 177.0 -73.2 130.8 10.3 29.5 5.7 6 7 A K + 0 0 130 -2,-0.3 2,-0.9 1,-0.0 -1,-0.1 0.397 47.7 100.5-116.8 -3.0 9.7 33.3 5.7 7 8 A D > - 0 0 81 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.784 51.8-167.4 -92.3 107.5 6.7 33.7 3.4 8 9 A G H > S+ 0 0 40 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.827 85.8 54.9 -65.7 -36.2 3.8 34.2 5.8 9 10 A A H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 111.9 45.5 -62.3 -43.2 1.1 33.7 3.1 10 11 A K H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.879 107.9 56.9 -64.9 -43.1 2.7 30.4 2.2 11 12 A I H X S+ 0 0 75 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.932 107.7 48.7 -56.6 -46.3 3.1 29.3 5.9 12 13 A Y H X S+ 0 0 100 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.931 111.0 49.3 -56.9 -50.2 -0.7 29.8 6.3 13 14 A V H X S+ 0 0 100 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.927 114.3 45.1 -60.5 -44.0 -1.5 27.8 3.3 14 15 A Q H X S+ 0 0 92 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.864 111.5 53.4 -65.5 -38.7 0.8 24.9 4.3 15 16 A S H X S+ 0 0 35 -4,-2.6 4,-2.5 -5,-0.2 3,-0.2 0.966 111.6 43.9 -62.4 -53.2 -0.6 25.0 7.9 16 17 A F H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.869 112.9 52.6 -62.1 -36.9 -4.2 24.7 6.9 17 18 A A H X S+ 0 0 59 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.850 109.7 48.9 -66.7 -34.7 -3.3 22.0 4.3 18 19 A T H X S+ 0 0 76 -4,-1.9 4,-1.3 -3,-0.2 -2,-0.2 0.928 111.9 49.3 -68.8 -45.8 -1.5 20.0 7.1 19 20 A I H >X S+ 0 0 10 -4,-2.5 4,-2.9 1,-0.2 3,-0.6 0.930 111.3 47.9 -58.4 -47.6 -4.5 20.3 9.4 20 21 A R H 3< S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 110.4 53.5 -66.6 -31.2 -6.9 19.2 6.7 21 22 A A H 3< S+ 0 0 86 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.773 121.8 29.1 -68.8 -26.6 -4.7 16.2 5.9 22 23 A E H << S+ 0 0 128 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.2 0.739 100.7 89.2-106.5 -30.1 -4.6 15.1 9.5 23 24 A A S < S- 0 0 18 -4,-2.9 2,-1.0 -5,-0.2 3,-0.1 -0.311 71.2-125.5 -84.8 159.7 -7.8 16.1 11.2 24 25 A D + 0 0 101 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.747 52.0 144.7-101.2 84.2 -11.2 14.4 11.5 25 26 A L > + 0 0 20 -2,-1.0 3,-1.6 -5,-0.2 -1,-0.1 0.370 26.5 108.0-111.3 4.5 -13.5 17.1 10.0 26 27 A A T 3 S+ 0 0 95 1,-0.3 -1,-0.2 -3,-0.1 7,-0.1 0.766 73.3 59.7 -58.8 -34.9 -16.2 15.2 8.1 27 28 A R T 3 S+ 0 0 138 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.591 88.6 91.4 -73.4 -11.2 -19.1 15.9 10.6 28 29 A F S < S- 0 0 19 -3,-1.6 -3,-0.0 1,-0.1 0, 0.0 -0.668 78.0-122.2 -89.7 142.4 -18.8 19.7 10.2 29 30 A T > - 0 0 58 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.265 38.2 -99.1 -65.3 163.3 -20.7 21.7 7.7 30 31 A P H > S+ 0 0 98 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.884 126.2 48.5 -55.2 -38.6 -18.6 23.8 5.3 31 32 A E H > S+ 0 0 76 1,-0.2 4,-0.8 2,-0.2 -3,-0.0 0.850 115.5 44.0 -70.7 -35.2 -19.2 27.0 7.3 32 33 A E H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 106.5 61.1 -73.6 -39.2 -18.3 25.1 10.6 33 34 A E H X S+ 0 0 38 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.870 100.3 53.7 -58.1 -41.2 -15.3 23.4 9.0 34 35 A V H X S+ 0 0 36 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.896 110.7 47.5 -62.2 -40.7 -13.5 26.7 8.3 35 36 A V H X S+ 0 0 0 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.935 111.5 49.7 -65.3 -47.5 -13.9 27.7 11.9 36 37 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.906 107.9 54.0 -61.0 -42.0 -12.6 24.4 13.2 37 38 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.917 109.5 47.2 -58.8 -42.6 -9.6 24.5 11.0 38 39 A R H X S+ 0 0 14 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.873 110.3 53.1 -70.7 -34.1 -8.6 27.9 12.3 39 40 A M H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.925 110.3 47.1 -63.3 -45.3 -9.1 26.8 15.9 40 41 A I H X>S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 5,-1.4 0.923 110.8 53.2 -58.6 -46.6 -6.8 23.8 15.3 41 42 A H H <5S+ 0 0 56 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.929 110.2 47.2 -53.5 -49.9 -4.2 26.1 13.7 42 43 A A H <5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.834 117.3 42.3 -64.6 -34.3 -4.3 28.4 16.7 43 44 A A H <5S- 0 0 36 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.619 95.6-135.7 -85.6 -19.1 -3.9 25.5 19.2 44 45 A G T <5 + 0 0 73 -4,-1.8 2,-0.4 -3,-0.3 -3,-0.2 0.847 67.1 125.4 62.9 34.0 -1.3 23.5 17.3 45 46 A M > < - 0 0 68 -5,-1.4 3,-1.9 -6,-0.2 4,-0.3 -0.769 49.4-165.2-139.2 87.7 -3.5 20.6 18.2 46 47 A V T 3 S+ 0 0 58 -2,-0.4 -23,-0.0 1,-0.2 -27,-0.0 -0.553 87.5 49.4 -62.3 133.6 -4.9 18.1 15.8 47 48 A G T > S+ 0 0 21 -2,-0.2 3,-1.6 -23,-0.0 4,-0.3 0.011 77.7 102.1 113.3 -25.0 -7.5 16.3 17.9 48 49 A L G X S+ 0 0 0 -3,-1.9 3,-2.5 1,-0.3 4,-0.5 0.873 70.9 68.3 -53.4 -36.4 -9.1 19.6 19.2 49 50 A E G > S+ 0 0 5 1,-0.3 3,-0.6 -4,-0.3 -1,-0.3 0.721 84.3 69.9 -61.8 -23.0 -11.9 19.0 16.7 50 51 A N G < S+ 0 0 93 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.668 104.5 43.4 -67.0 -13.4 -13.1 16.0 18.7 51 52 A H G < S+ 0 0 77 -3,-2.5 136,-3.1 -4,-0.3 2,-0.3 0.490 88.0 107.1-109.7 -6.5 -14.2 18.5 21.4 52 53 A V E < -A 186 0A 2 -3,-0.6 2,-0.4 -4,-0.5 134,-0.2 -0.589 42.6-178.4 -83.6 133.5 -15.8 21.2 19.3 53 54 A R E -A 185 0A 103 132,-2.3 132,-2.5 -2,-0.3 2,-0.4 -0.998 4.4-169.0-129.6 133.1 -19.6 21.6 19.3 54 55 A F E -A 184 0A 24 -2,-0.4 130,-0.2 130,-0.2 3,-0.1 -0.955 25.5-123.3-117.1 139.9 -21.8 24.1 17.3 55 56 A A > - 0 0 4 128,-3.0 3,-2.2 -2,-0.4 4,-0.4 -0.555 54.9 -87.0 -63.8 139.9 -25.4 24.9 17.6 56 57 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 127,-0.1 -0.329 114.2 9.6 -51.1 128.6 -27.0 24.3 14.2 57 58 A G T 3> S+ 0 0 43 -3,-0.1 4,-2.6 125,-0.1 5,-0.2 0.418 90.2 121.4 80.8 -0.0 -26.6 27.5 12.1 58 59 A M H <> S+ 0 0 0 -3,-2.2 4,-3.1 2,-0.2 5,-0.3 0.945 73.5 49.6 -59.5 -50.4 -24.3 29.3 14.5 59 60 A A H > S+ 0 0 5 -4,-0.4 4,-2.1 1,-0.2 5,-0.2 0.921 114.6 45.6 -58.0 -44.5 -21.4 29.7 12.0 60 61 A I H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 115.0 47.4 -60.1 -47.4 -23.8 31.1 9.4 61 62 A A H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.877 112.0 48.9 -65.5 -40.9 -25.5 33.4 11.9 62 63 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.905 110.6 49.4 -69.5 -41.0 -22.3 34.8 13.4 63 64 A R H X S+ 0 0 29 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.925 111.6 51.0 -61.0 -42.0 -20.8 35.5 10.0 64 65 A A H X S+ 0 0 52 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.909 109.0 50.0 -63.6 -43.4 -24.0 37.4 9.1 65 66 A A H <>S+ 0 0 14 -4,-2.3 5,-2.6 2,-0.2 3,-0.3 0.919 112.0 48.1 -57.7 -46.9 -23.9 39.4 12.3 66 67 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.915 110.0 50.9 -64.0 -40.0 -20.3 40.4 11.6 67 68 A E H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.760 106.7 56.4 -69.7 -21.9 -21.0 41.4 8.0 68 69 A A T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.317 128.9 -98.2 -88.9 4.4 -23.9 43.5 9.3 69 70 A G T < 5 + 0 0 32 -3,-1.7 24,-0.4 1,-0.2 -3,-0.2 0.601 60.9 170.5 91.8 13.6 -21.4 45.4 11.5 70 71 A A < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.2 20,-0.1 -0.265 33.2-119.3 -57.0 138.7 -22.0 43.6 14.9 71 72 A P - 0 0 21 0, 0.0 59,-2.6 0, 0.0 2,-0.6 -0.396 18.9-128.0 -72.2 160.2 -19.6 44.5 17.6 72 73 A I E -bc 94 130A 0 21,-2.7 23,-3.1 57,-0.2 2,-0.6 -0.954 18.0-155.9-113.0 117.3 -17.4 41.8 19.2 73 74 A L E -bc 95 131A 0 57,-2.3 59,-3.3 -2,-0.6 2,-0.4 -0.861 13.8-166.7-100.5 122.9 -17.6 41.7 22.9 74 75 A C E - c 0 132A 1 21,-3.1 23,-0.4 -2,-0.6 24,-0.3 -0.871 24.7-149.5-119.0 136.7 -14.5 40.1 24.6 75 76 A D S S+ 0 0 4 57,-1.7 2,-0.3 -2,-0.4 58,-0.1 0.754 83.4 21.0 -75.6 -21.9 -13.9 38.9 28.1 76 77 A A S >> S- 0 0 10 1,-0.1 4,-2.2 21,-0.0 3,-1.2 -0.966 74.0-116.7-145.5 157.9 -10.1 39.6 28.1 77 78 A R H 3> S+ 0 0 128 -2,-0.3 4,-3.2 1,-0.3 5,-0.3 0.787 111.9 67.0 -67.2 -27.5 -7.6 41.8 26.3 78 79 A M H 34 S+ 0 0 143 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.773 109.2 39.6 -63.7 -24.2 -5.8 38.7 25.1 79 80 A V H X> S+ 0 0 0 -3,-1.2 4,-1.5 2,-0.1 3,-0.7 0.905 118.2 44.5 -83.8 -54.0 -9.0 38.1 23.0 80 81 A S H 3< S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.888 115.8 47.0 -61.3 -39.3 -9.7 41.7 22.0 81 82 A E T 3< S+ 0 0 116 -4,-3.2 -1,-0.3 1,-0.2 -3,-0.2 0.680 108.1 60.0 -77.0 -14.7 -6.1 42.5 21.0 82 83 A G T <4 S+ 0 0 33 -3,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.878 76.9 104.1 -74.8 -41.8 -5.9 39.2 19.1 83 84 A I S < S- 0 0 4 -4,-1.5 2,-0.9 -3,-0.1 3,-0.1 -0.166 77.1-123.9 -54.6 128.8 -8.7 39.9 16.6 84 85 A T > - 0 0 53 113,-0.2 3,-1.8 1,-0.2 4,-0.5 -0.660 18.4-162.6 -80.0 105.9 -7.2 40.8 13.2 85 86 A R G > S+ 0 0 116 -2,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.869 88.5 61.8 -59.1 -36.1 -8.6 44.3 12.4 86 87 A A G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.675 101.5 54.0 -61.5 -19.4 -7.7 43.8 8.7 87 88 A R G < S+ 0 0 32 -3,-1.8 -1,-0.3 118,-0.1 -2,-0.2 0.579 80.6 110.2 -91.8 -10.5 -10.1 40.8 8.6 88 89 A L < - 0 0 28 -3,-1.5 3,-0.4 -4,-0.5 117,-0.1 -0.489 55.3-156.7 -73.9 131.6 -13.2 42.7 9.9 89 90 A P S S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.687 81.2 25.4 -84.0 -20.1 -15.8 43.1 7.2 90 91 A A S S- 0 0 35 -24,-0.2 3,-0.1 -20,-0.1 -2,-0.0 -0.199 112.1 -88.9-145.1 44.5 -17.7 46.1 8.5 91 92 A K - 0 0 206 -3,-0.4 -6,-0.0 1,-0.2 -3,-0.0 0.833 63.6-168.2 53.9 36.0 -15.6 48.4 10.7 92 93 A N - 0 0 10 -7,-0.1 2,-0.2 -26,-0.1 -1,-0.2 -0.274 19.4-120.7 -62.2 135.6 -16.8 46.2 13.7 93 94 A E - 0 0 109 -24,-0.4 -21,-2.7 -3,-0.1 2,-0.5 -0.565 18.7-151.2 -74.0 140.0 -16.0 47.6 17.2 94 95 A V E -b 72 0A 28 -2,-0.2 2,-0.4 -23,-0.2 -21,-0.2 -0.978 22.5-170.1-114.1 116.8 -13.9 45.2 19.3 95 96 A I E +b 73 0A 28 -23,-3.1 -21,-3.1 -2,-0.5 2,-0.3 -0.898 24.7 168.3-120.8 134.5 -14.7 45.7 22.9 96 97 A C - 0 0 28 -2,-0.4 3,-0.3 -23,-0.2 -21,-0.1 -0.947 4.6-179.9-138.7 121.4 -13.3 44.6 26.2 97 98 A T > + 0 0 21 -23,-0.4 3,-1.7 -2,-0.3 6,-0.2 0.330 52.8 106.9-101.7 5.7 -14.6 46.3 29.4 98 99 A L T 3 S+ 0 0 21 -24,-0.3 -1,-0.2 1,-0.3 20,-0.1 0.808 81.6 45.4 -54.8 -38.6 -12.4 44.4 31.9 99 100 A Q T 3 S+ 0 0 103 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.311 77.8 131.3 -92.2 6.1 -10.1 47.3 32.6 100 101 A D X - 0 0 35 -3,-1.7 3,-1.8 1,-0.1 -3,-0.0 -0.388 66.4-125.5 -56.5 135.3 -12.8 49.9 33.0 101 102 A P T 3 S+ 0 0 118 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.682 106.7 59.2 -64.2 -15.0 -12.1 51.7 36.3 102 103 A R T 3> S+ 0 0 165 1,-0.2 4,-1.8 2,-0.1 5,-0.1 0.593 85.4 81.9 -83.4 -12.4 -15.5 51.0 37.7 103 104 A V H <> S+ 0 0 0 -3,-1.8 4,-3.1 1,-0.2 5,-0.3 0.892 82.6 56.4 -66.8 -43.3 -15.1 47.2 37.4 104 105 A P H > S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.936 113.4 40.5 -57.9 -44.8 -13.2 46.5 40.7 105 106 A A H > S+ 0 0 57 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.872 115.0 52.5 -69.0 -37.2 -15.8 48.1 42.9 106 107 A L H X S+ 0 0 46 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.913 108.3 50.7 -64.5 -43.6 -18.7 46.6 40.9 107 108 A A H X>S+ 0 0 6 -4,-3.1 5,-2.3 2,-0.2 4,-1.0 0.920 110.6 49.7 -58.7 -45.3 -17.1 43.1 41.3 108 109 A Q H ><5S+ 0 0 159 -4,-1.9 3,-0.7 -5,-0.3 -2,-0.2 0.944 112.8 46.4 -60.6 -47.0 -16.8 43.7 45.1 109 110 A E H 3<5S+ 0 0 158 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.9 45.7 -62.5 -38.8 -20.5 44.8 45.3 110 111 A M H 3<5S- 0 0 63 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.593 105.1-128.8 -78.1 -13.2 -21.6 41.9 43.1 111 112 A G T <<5S+ 0 0 70 -4,-1.0 2,-0.2 -3,-0.7 -3,-0.2 0.921 72.9 109.2 59.8 43.8 -19.5 39.4 45.1 112 113 A N S - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.313 37.4-118.6 -68.8 159.3 -15.0 38.2 39.6 114 115 A R H > S+ 0 0 137 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.889 116.0 58.9 -63.8 -37.5 -13.8 41.3 37.7 115 116 A S H > S+ 0 0 26 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.904 111.6 39.5 -57.2 -44.0 -14.2 39.2 34.5 116 117 A A H >4 S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.931 113.0 53.5 -74.0 -44.6 -17.9 38.6 35.3 117 118 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 4,-0.5 0.864 99.2 65.0 -59.9 -34.7 -18.7 42.1 36.6 118 119 A A H >< S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.3 -1,-0.3 0.805 87.3 69.8 -60.6 -28.9 -17.3 43.7 33.4 119 120 A L G X< S+ 0 0 1 -3,-1.3 3,-1.5 -4,-0.5 4,-0.4 0.746 83.8 70.6 -63.4 -22.8 -20.1 42.1 31.4 120 121 A E G X S+ 0 0 48 -3,-1.7 3,-1.3 -4,-0.4 -1,-0.3 0.894 94.1 56.2 -58.6 -35.6 -22.6 44.4 33.0 121 122 A L G < S+ 0 0 59 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.569 93.1 71.2 -73.5 -7.1 -21.0 47.2 30.9 122 123 A W G X> + 0 0 2 -3,-1.5 3,-2.0 -4,-0.3 4,-1.2 0.654 69.2 97.0 -77.3 -18.1 -21.7 45.2 27.8 123 124 A R H X> S+ 0 0 80 -3,-1.3 3,-0.9 -4,-0.4 4,-0.6 0.850 79.5 50.7 -47.0 -47.1 -25.4 45.9 28.0 124 125 A P H 34 S+ 0 0 117 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.748 121.5 34.6 -66.9 -19.2 -25.5 48.9 25.6 125 126 A K H <4 S+ 0 0 78 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.432 95.4 90.3-107.6 -1.4 -23.6 46.9 22.9 126 127 A L H X< + 0 0 0 -4,-1.2 3,-2.2 -3,-0.9 2,-0.3 0.819 54.9 98.2 -70.9 -35.2 -25.0 43.4 23.6 127 128 A E T 3< S- 0 0 134 -4,-0.6 29,-0.0 1,-0.3 25,-0.0 -0.385 108.7 -7.3 -63.9 116.7 -28.0 43.3 21.2 128 129 A G T 3 S+ 0 0 28 26,-2.6 -1,-0.3 -2,-0.3 -2,-0.1 0.513 102.7 142.0 77.0 6.5 -26.9 41.5 18.1 129 130 A A < - 0 0 0 -3,-2.2 27,-2.2 -59,-0.1 28,-1.4 -0.263 55.8-122.5 -71.8 161.1 -23.3 41.3 19.2 130 131 A V E -cd 72 157A 0 -59,-2.6 -57,-2.3 26,-0.2 2,-0.4 -0.963 29.4-148.3 -99.7 117.5 -20.9 38.4 18.7 131 132 A V E -cd 73 158A 0 26,-2.6 28,-3.2 -2,-0.6 2,-0.5 -0.739 12.8-169.9 -88.5 132.7 -19.7 37.4 22.2 132 133 A A E +cd 74 159A 0 -59,-3.3 -57,-1.7 -2,-0.4 2,-0.7 -0.897 9.0 173.8-127.2 96.4 -16.1 36.0 22.4 133 134 A I E + d 0 160A 0 26,-2.8 28,-2.2 -2,-0.5 59,-0.2 -0.910 12.7 153.1-106.8 108.4 -15.4 34.5 25.9 134 135 A G + 0 0 1 -2,-0.7 29,-0.3 26,-0.1 59,-0.1 0.467 68.3 24.4-113.0 -5.3 -12.0 32.8 25.9 135 136 A N S S+ 0 0 74 27,-0.2 28,-1.0 57,-0.2 -2,-0.1 0.727 98.2 62.3-121.7 -70.6 -10.9 33.0 29.4 136 137 A A >> - 0 0 5 26,-0.2 4,-1.6 1,-0.2 3,-0.9 -0.546 40.9-169.0 -88.7 111.0 -13.3 33.3 32.3 137 138 A P H 3> S+ 0 0 20 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.876 94.0 59.8 -58.8 -33.5 -15.8 30.6 33.1 138 139 A T H 3> S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.828 101.9 53.6 -65.2 -30.8 -17.4 33.1 35.6 139 140 A A H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.931 110.9 45.8 -64.1 -44.4 -18.0 35.5 32.7 140 141 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.937 114.8 46.7 -65.3 -47.2 -19.8 32.7 30.7 141 142 A F H X S+ 0 0 79 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.921 113.3 49.4 -59.2 -44.0 -21.9 31.6 33.7 142 143 A H H X S+ 0 0 24 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.918 107.8 53.8 -65.1 -41.3 -22.8 35.3 34.5 143 144 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.895 106.1 52.9 -56.0 -44.7 -23.8 35.9 30.9 144 145 A L H X S+ 0 0 17 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.918 111.1 47.3 -58.4 -44.2 -26.2 32.9 31.1 145 146 A N H >< S+ 0 0 112 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.902 109.3 53.0 -63.1 -42.1 -27.7 34.5 34.2 146 147 A M H >< S+ 0 0 7 -4,-2.9 3,-1.4 1,-0.2 6,-0.3 0.902 107.3 52.6 -55.9 -40.3 -28.0 37.9 32.5 147 148 A L H 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.537 90.1 76.3 -80.9 -8.1 -29.9 36.3 29.6 148 149 A E T << S+ 0 0 141 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.587 82.1 80.5 -72.1 -14.6 -32.4 34.7 31.9 149 150 A D S X S- 0 0 81 -3,-1.4 3,-1.8 -4,-0.3 -1,-0.0 -0.873 77.0-148.7 -93.1 118.0 -33.9 38.2 32.2 150 151 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.689 96.0 63.4 -61.4 -16.7 -36.1 38.9 29.2 151 152 A A T 3 S+ 0 0 79 2,-0.1 -4,-0.1 -3,-0.0 3,-0.1 0.697 80.8 101.0 -76.6 -21.7 -35.2 42.6 29.5 152 153 A C S < S- 0 0 4 -3,-1.8 -29,-0.0 -6,-0.3 -6,-0.0 -0.448 83.2-111.9 -67.1 132.5 -31.5 41.9 28.8 153 154 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.345 35.9-134.3 -59.2 148.0 -30.3 42.6 25.2 154 155 A R - 0 0 82 -4,-0.1 -26,-2.6 -3,-0.1 -25,-0.1 -0.910 7.9-130.2-116.5 131.6 -29.5 39.4 23.4 155 156 A P - 0 0 6 0, 0.0 -25,-0.2 0, 0.0 -28,-0.1 -0.286 15.5-127.0 -71.8 162.3 -26.4 38.7 21.3 156 157 A A S S- 0 0 30 -27,-2.2 2,-0.3 1,-0.3 -26,-0.2 0.778 88.6 -6.0 -75.2 -29.3 -26.4 37.2 17.8 157 158 A A E -d 130 0A 0 -28,-1.4 -26,-2.6 24,-0.1 2,-0.5 -0.984 59.1-140.8-163.1 153.8 -24.0 34.5 18.8 158 159 A I E -de 131 183A 0 24,-2.4 26,-1.8 -2,-0.3 2,-0.9 -0.982 0.8-161.6-126.4 122.1 -21.7 33.3 21.6 159 160 A I E -de 132 184A 0 -28,-3.2 -26,-2.8 -2,-0.5 2,-0.9 -0.895 21.1-174.0 -93.9 102.4 -18.3 31.8 21.2 160 161 A G E +de 133 185A 0 24,-2.6 26,-0.6 -2,-0.9 -26,-0.1 -0.728 27.0 138.2-107.7 83.2 -18.0 30.2 24.6 161 162 A C + 0 0 0 -28,-2.2 31,-3.1 -2,-0.9 35,-0.2 -0.244 15.5 158.6-123.1 47.5 -14.5 28.8 24.9 162 163 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 -0.333 29.8-142.3 -66.5 155.9 -13.2 29.5 28.4 163 164 A V + 0 0 62 -28,-1.0 2,-0.2 -29,-0.3 27,-0.2 -0.776 40.1 68.2-115.4 155.5 -10.3 27.2 29.4 164 165 A G S S- 0 0 18 25,-2.7 5,-0.3 -2,-0.3 3,-0.1 -0.728 72.1 -81.2 137.1-173.5 -9.4 25.6 32.7 165 166 A F S S+ 0 0 147 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.658 100.9 60.2-104.6 -24.8 -9.9 23.2 35.5 166 167 A I S S- 0 0 153 -3,-0.2 -1,-0.2 1,-0.1 -3,-0.0 -0.932 125.4 -24.8-117.5 106.4 -12.5 25.0 37.7 167 168 A G S > S+ 0 0 17 -2,-0.6 4,-2.3 -3,-0.1 5,-0.2 0.210 104.2 104.9 85.9 -17.8 -15.8 25.8 36.2 168 169 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.975 83.8 40.9 -63.9 -56.6 -14.7 25.9 32.5 169 170 A A H > S+ 0 0 28 -5,-0.3 4,-2.5 1,-0.2 19,-0.2 0.919 117.4 50.8 -56.8 -43.9 -16.2 22.6 31.4 170 171 A E H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 107.7 51.9 -60.0 -42.8 -19.4 23.3 33.5 171 172 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.902 113.3 44.2 -65.5 -38.7 -19.9 26.8 32.0 172 173 A K H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.895 112.0 51.1 -76.3 -40.0 -19.7 25.6 28.4 173 174 A A H X S+ 0 0 31 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.890 111.0 50.8 -60.1 -38.8 -21.9 22.5 29.1 174 175 A A H X S+ 0 0 31 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.877 106.8 53.7 -66.1 -39.7 -24.4 24.9 30.6 175 176 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.928 110.0 47.3 -57.5 -47.2 -24.3 27.2 27.6 176 177 A A H < S+ 0 0 10 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.893 114.7 46.3 -64.1 -40.9 -25.1 24.3 25.3 177 178 A V H < S+ 0 0 129 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.2 46.9 -68.0 -43.2 -28.0 23.1 27.5 178 179 A A H < S- 0 0 47 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.822 83.5-167.8 -70.1 -33.1 -29.4 26.6 27.9 179 180 A N < + 0 0 97 -4,-2.2 -3,-0.1 -5,-0.2 -4,-0.1 0.890 19.5 164.2 46.7 50.4 -29.1 27.3 24.1 180 181 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.881 67.0 -14.3 -68.6 -39.2 -29.8 31.0 24.7 181 182 A V S S- 0 0 14 -23,-0.1 -24,-0.1 -27,-0.0 -23,-0.1 -0.901 105.0 -55.0-150.7 166.8 -28.6 32.1 21.2 182 183 A P - 0 0 43 0, 0.0 -24,-2.4 0, 0.0 2,-0.3 -0.250 69.9-177.0 -55.5 137.5 -26.5 30.2 18.6 183 184 A W E - e 0 158A 17 -26,-0.2 -128,-3.0 -7,-0.1 2,-0.3 -0.867 29.3-158.8-137.2 157.3 -23.3 29.0 20.2 184 185 A V E +Ae 54 159A 1 -26,-1.8 -24,-2.6 -2,-0.3 2,-0.3 -0.985 22.4 174.3-132.4 140.5 -19.9 27.2 19.7 185 186 A I E -Ae 53 160A 0 -132,-2.5 -132,-2.3 -2,-0.3 2,-0.6 -0.930 34.9-133.2-133.7 161.3 -18.0 25.6 22.5 186 187 A V E -A 52 0A 0 -26,-0.6 -134,-0.2 -2,-0.3 -14,-0.1 -0.986 40.4-132.4-104.0 112.8 -14.9 23.5 23.1 187 188 A E + 0 0 67 -136,-3.1 3,-0.4 -2,-0.6 2,-0.3 -0.389 65.1 8.3 -66.3 139.9 -16.2 20.8 25.5 188 189 A G S S- 0 0 23 -19,-0.2 -16,-0.2 1,-0.2 -2,-0.1 -0.652 117.0 -32.0 99.9-148.6 -14.1 20.0 28.5 189 190 A R S S+ 0 0 157 -2,-0.3 -25,-2.7 -26,-0.1 -1,-0.2 0.716 105.5 94.3 -86.5 -24.2 -11.0 21.8 29.9 190 191 A L + 0 0 62 -3,-0.4 2,-0.3 -27,-0.2 -4,-0.2 -0.302 49.2 86.6 -71.5 153.6 -9.6 23.0 26.6 191 192 A G + 0 0 16 -28,-0.1 4,-0.2 -6,-0.1 -28,-0.2 -0.974 37.2 152.1 160.1-145.7 -10.3 26.5 25.2 192 193 A G > - 0 0 10 -31,-3.1 4,-2.2 -2,-0.3 -57,-0.2 -0.381 58.4 -56.3 115.6 175.2 -8.7 29.8 25.6 193 194 A S H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 125.2 51.0 -59.5 -44.4 -7.9 33.2 24.0 194 195 A A H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 112.3 44.7 -67.9 -43.6 -6.2 31.9 20.9 195 196 A I H > S+ 0 0 8 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 115.4 50.2 -63.3 -41.0 -8.9 29.4 20.0 196 197 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 111.3 46.5 -63.6 -48.7 -11.5 32.1 20.6 197 198 A V H X S+ 0 0 13 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.895 109.7 55.6 -58.5 -44.3 -9.8 34.7 18.5 198 199 A A H X S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.909 106.7 50.5 -57.1 -42.4 -9.3 32.1 15.8 199 200 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.933 113.2 45.0 -61.3 -45.5 -13.1 31.5 15.8 200 201 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.948 113.8 49.2 -62.7 -49.5 -13.8 35.2 15.4 201 202 A N H X S+ 0 0 10 -4,-3.3 4,-0.9 1,-0.2 -1,-0.2 0.843 111.3 50.6 -61.0 -36.0 -11.1 35.7 12.7 202 203 A A H < S+ 0 0 0 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.903 114.0 43.3 -65.2 -43.6 -12.5 32.7 10.8 203 204 A L H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.715 107.2 62.8 -77.9 -21.1 -16.1 34.0 10.9 204 205 A A H < S+ 0 0 1 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.808 107.8 33.9 -73.4 -33.1 -15.1 37.6 10.1 205 206 A C < - 0 0 35 -4,-0.9 -1,-0.1 -3,-0.3 -117,-0.1 -0.979 61.5-146.5-136.5 135.6 -13.7 37.1 6.7 206 207 A R S S+ 0 0 167 -2,-0.4 2,-0.5 -119,-0.1 -1,-0.1 0.708 84.0 82.6 -76.1 -19.2 -14.6 34.6 3.9 207 208 A K 0 0 168 1,-0.1 -2,-0.1 -120,-0.1 0, 0.0 -0.769 360.0 360.0 -86.2 123.2 -10.9 34.4 2.8 208 209 A E 0 0 72 -2,-0.5 -1,-0.1 -195,-0.0 -2,-0.0 0.780 360.0 360.0 -60.2 360.0 -8.9 31.9 4.9