==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAY-05 1ZMR . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.MARQUSEE . 386 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.7 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 . 2 0.5 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 . 36 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 1 2 3 2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 5 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 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 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 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 S 0 0 129 0, 0.0 2,-0.3 0, 0.0 383,-0.2 0.000 360.0 360.0 360.0 132.0 23.4 28.8 28.7 2 3 A V - 0 0 14 381,-0.1 2,-0.2 382,-0.1 379,-0.1 -0.923 360.0-103.7-128.4 152.5 21.5 32.1 28.3 3 4 A I - 0 0 43 377,-0.4 159,-3.0 157,-0.4 2,-0.4 -0.543 39.9-136.1 -71.5 140.4 17.9 33.2 28.1 4 5 A K B > -a 162 0A 50 157,-0.2 3,-1.6 -2,-0.2 4,-0.2 -0.869 11.8-143.9-107.5 134.1 16.8 34.0 24.5 5 6 A M G > S+ 0 0 0 157,-2.6 3,-1.6 -2,-0.4 158,-0.1 0.849 104.0 61.4 -54.0 -38.2 14.8 37.1 23.4 6 7 A T G 3 S+ 0 0 86 156,-0.4 -1,-0.3 1,-0.3 157,-0.1 0.579 98.4 56.5 -70.1 -12.0 13.2 34.8 20.8 7 8 A D G < S+ 0 0 129 -3,-1.6 2,-0.3 2,-0.0 -1,-0.3 0.417 97.3 84.4 -96.1 -1.2 11.8 32.5 23.6 8 9 A L S < S- 0 0 50 -3,-1.6 2,-0.6 -4,-0.2 -3,-0.0 -0.731 74.5-130.4-108.6 151.3 10.0 35.4 25.3 9 10 A D + 0 0 116 -2,-0.3 -3,-0.1 1,-0.1 37,-0.0 -0.901 24.3 179.5 -96.9 115.7 6.6 37.1 24.7 10 11 A L > + 0 0 0 -2,-0.6 3,-2.3 -5,-0.1 42,-0.3 0.237 22.6 147.8-106.1 12.2 7.3 40.8 24.5 11 12 A A T 3 S- 0 0 53 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.274 82.5 -11.6 -54.7 120.1 3.7 42.0 24.0 12 13 A G T 3 S+ 0 0 26 38,-1.8 2,-0.3 37,-0.3 -1,-0.3 0.625 106.7 134.1 61.9 16.0 3.1 45.4 25.6 13 14 A K < - 0 0 95 -3,-2.3 39,-2.6 120,-0.0 2,-0.6 -0.746 62.6-117.0-101.1 145.0 6.5 45.0 27.4 14 15 A R E -b 52 0A 50 -2,-0.3 119,-3.3 37,-0.2 120,-2.1 -0.703 36.1-165.3 -80.3 115.8 9.2 47.7 27.7 15 16 A V E -bc 53 134A 0 37,-2.6 39,-3.3 -2,-0.6 2,-0.7 -0.917 13.3-161.8-115.0 123.2 12.3 46.3 25.9 16 17 A F E -bc 54 135A 0 118,-2.8 120,-3.5 -2,-0.5 2,-0.6 -0.901 13.7-168.7-103.3 107.4 15.8 47.7 26.3 17 18 A I E -bc 55 136A 0 37,-3.6 39,-2.1 -2,-0.7 2,-0.8 -0.878 12.2-157.9-101.9 120.7 18.0 46.6 23.4 18 19 A R E +bc 56 137A 0 118,-3.2 120,-2.5 -2,-0.6 2,-0.2 -0.877 28.8 170.5 -92.9 107.4 21.7 47.1 23.6 19 20 A A - 0 0 0 37,-2.4 2,-0.9 -2,-0.8 39,-0.4 -0.673 42.2-113.3-110.8 165.1 22.9 47.0 20.0 20 21 A D + 0 0 27 118,-0.5 19,-0.2 -2,-0.2 37,-0.1 -0.864 50.5 149.7 -99.0 96.6 26.1 47.8 18.2 21 22 A L + 0 0 0 -2,-0.9 2,-2.1 37,-0.3 -1,-0.1 -0.067 18.6 134.8-116.4 28.5 25.1 50.8 16.1 22 23 A N + 0 0 41 37,-0.1 37,-0.1 13,-0.1 -2,-0.0 -0.518 35.5 165.0 -77.6 73.0 28.6 52.3 16.2 23 24 A V - 0 0 6 -2,-2.1 2,-0.2 1,-0.1 10,-0.1 -0.594 46.3 -93.4 -95.7 152.3 28.5 53.1 12.4 24 25 A P - 0 0 63 0, 0.0 7,-2.7 0, 0.0 8,-0.8 -0.498 46.5-162.0 -63.4 128.6 30.8 55.4 10.4 25 26 A V E +G 30 0B 50 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.947 15.2 178.4-120.8 135.1 29.2 58.9 10.2 26 27 A K E > S-G 29 0B 139 3,-2.9 3,-0.8 -2,-0.4 0, 0.0 -0.967 72.6 -14.3-139.6 121.2 29.9 61.7 7.8 27 28 A D T 3 S- 0 0 147 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.886 128.5 -51.3 54.3 46.2 28.1 65.0 7.7 28 29 A G T 3 S+ 0 0 45 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.661 119.6 105.2 70.1 18.9 25.2 63.7 9.9 29 30 A K E < S-G 26 0B 140 -3,-0.8 -3,-2.9 49,-0.0 2,-0.3 -0.974 74.7-111.8-133.5 144.3 24.7 60.7 7.7 30 31 A V E -G 25 0B 26 45,-0.4 -5,-0.2 -2,-0.3 3,-0.1 -0.563 26.1-178.2 -72.1 131.8 25.5 57.0 8.0 31 32 A T S S+ 0 0 83 -7,-2.7 2,-0.3 1,-0.3 -6,-0.1 0.607 75.6 33.1-106.8 -19.6 28.2 55.9 5.5 32 33 A S + 0 0 65 -8,-0.8 3,-0.3 1,-0.1 -1,-0.3 -0.927 59.9 178.0-139.6 115.7 28.3 52.1 6.3 33 34 A D >> + 0 0 48 -2,-0.3 4,-2.6 1,-0.2 3,-0.7 0.333 46.5 112.3-102.3 5.4 25.0 50.5 7.5 34 35 A A H 3> S+ 0 0 55 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.848 81.0 49.0 -46.8 -44.5 26.2 46.9 7.9 35 36 A R H 3> S+ 0 0 96 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.841 111.6 47.6 -67.8 -37.3 25.7 47.1 11.7 36 37 A I H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.905 110.6 51.5 -70.6 -43.1 22.2 48.5 11.5 37 38 A R H < S+ 0 0 138 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.863 111.8 48.1 -59.6 -38.5 21.1 45.9 8.9 38 39 A A H < S+ 0 0 42 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.863 115.6 44.5 -67.5 -38.0 22.4 43.2 11.3 39 40 A S H >X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 3,-1.2 0.776 93.9 82.1 -77.2 -29.9 20.5 44.8 14.2 40 41 A L H 3X S+ 0 0 19 -4,-2.4 4,-3.1 1,-0.3 5,-0.3 0.833 85.0 54.2 -49.9 -49.5 17.2 45.5 12.4 41 42 A P H 3> S+ 0 0 82 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.817 108.8 52.3 -57.8 -28.7 15.7 42.0 12.7 42 43 A T H <> S+ 0 0 1 -3,-1.2 4,-1.3 -4,-0.3 -2,-0.2 0.941 112.8 43.1 -67.7 -50.1 16.2 42.2 16.5 43 44 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 3,-0.4 0.936 116.1 47.9 -59.2 -49.4 14.4 45.6 16.7 44 45 A E H X S+ 0 0 56 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.818 103.1 61.6 -67.1 -34.2 11.6 44.5 14.3 45 46 A L H X S+ 0 0 57 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.2 0.899 111.3 40.6 -54.5 -43.4 11.0 41.2 16.2 46 47 A A H ><>S+ 0 0 0 -4,-1.3 5,-1.7 -3,-0.4 3,-0.6 0.919 114.6 51.3 -72.0 -45.9 10.1 43.3 19.3 47 48 A L H ><5S+ 0 0 5 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.890 105.6 54.9 -59.5 -43.7 8.1 45.9 17.3 48 49 A K H 3<5S+ 0 0 168 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.748 102.9 57.5 -64.0 -25.9 6.0 43.3 15.5 49 50 A Q T <<5S- 0 0 58 -4,-0.6 -1,-0.3 -3,-0.6 -37,-0.3 0.453 121.0-108.3 -82.3 -2.0 5.0 41.9 18.9 50 51 A G T < 5 + 0 0 19 -3,-1.8 -38,-1.8 1,-0.2 -3,-0.2 0.850 65.4 158.4 74.3 36.5 3.6 45.3 20.0 51 52 A A < - 0 0 0 -5,-1.7 52,-2.0 -40,-0.2 2,-1.1 -0.520 52.4-114.8 -86.8 158.3 6.5 45.9 22.5 52 53 A K E -b 14 0A 60 -39,-2.6 -37,-2.6 -42,-0.3 2,-0.4 -0.797 47.1-157.5 -92.2 94.0 7.6 49.2 23.8 53 54 A V E +bd 15 105A 0 51,-1.2 53,-2.7 -2,-1.1 2,-0.5 -0.611 22.9 179.7 -94.1 127.9 11.0 49.2 22.2 54 55 A M E -bd 16 106A 0 -39,-3.3 -37,-3.6 -2,-0.4 2,-0.4 -0.994 7.7-174.8-119.4 124.8 14.1 51.1 23.3 55 56 A V E +bd 17 107A 0 51,-2.5 53,-2.1 -2,-0.5 2,-0.3 -0.948 8.8 166.9-118.0 141.6 17.4 50.7 21.3 56 57 A T E +bd 18 108A 0 -39,-2.1 -37,-2.4 -2,-0.4 2,-0.3 -0.955 5.3 170.6-147.3 167.0 20.7 52.2 22.2 57 58 A S - 0 0 0 51,-0.5 54,-1.7 -2,-0.3 55,-0.3 -0.966 35.2 -98.3-162.1 168.7 24.4 52.0 21.4 58 59 A H - 0 0 14 -39,-0.4 -37,-0.3 -2,-0.3 2,-0.3 -0.703 37.7-169.0 -88.6 153.1 27.8 53.5 21.8 59 60 A L - 0 0 6 -2,-0.3 -37,-0.1 -37,-0.1 53,-0.1 -0.936 40.8 -43.1-149.7 128.9 29.1 55.7 19.0 60 61 A G S S- 0 0 30 -2,-0.3 -1,-0.1 1,-0.2 11,-0.1 -0.142 95.3 -41.4 59.7-146.1 32.6 57.2 18.3 61 62 A R S S+ 0 0 225 -3,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.717 70.1 162.1-123.9 78.9 34.7 58.7 21.0 62 63 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 5,-0.1 -0.599 35.7-124.2 -94.8 160.1 32.7 60.8 23.5 63 64 A T B > -H 66 0C 82 3,-0.6 3,-1.7 -2,-0.2 2,-0.1 -0.867 37.1-104.8 -98.2 134.6 33.6 62.0 27.0 64 65 A E T 3 S+ 0 0 44 -2,-0.4 50,-0.2 1,-0.3 49,-0.2 -0.385 106.7 13.2 -61.1 127.6 31.1 61.2 29.7 65 66 A G T 3 S+ 0 0 42 48,-3.4 2,-0.8 -2,-0.1 -1,-0.3 0.099 106.0 100.9 91.5 -21.0 29.1 64.2 30.7 66 67 A E B < -H 63 0C 109 -3,-1.7 -3,-0.6 48,-0.0 -1,-0.1 -0.841 64.3-151.8-101.8 99.8 30.3 66.1 27.6 67 68 A Y - 0 0 100 -2,-0.8 2,-0.3 -5,-0.1 3,-0.1 -0.382 15.2-177.6 -67.3 146.6 27.5 66.0 24.9 68 69 A N > - 0 0 51 1,-0.1 3,-1.5 -2,-0.1 4,-0.1 -0.903 29.7-150.4-152.1 119.5 28.6 66.2 21.3 69 70 A E G > S+ 0 0 98 -2,-0.3 3,-1.1 1,-0.3 5,-0.1 0.758 100.0 67.8 -55.7 -27.3 26.4 66.3 18.2 70 71 A E G 3 S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.1 -42,-0.1 0.837 107.1 36.9 -61.1 -36.0 29.3 64.6 16.4 71 72 A F G < S+ 0 0 33 -3,-1.5 -1,-0.2 -11,-0.1 -2,-0.2 0.114 91.2 126.2-107.5 19.5 28.7 61.5 18.5 72 73 A S < - 0 0 0 -3,-1.1 4,-0.2 1,-0.1 -3,-0.0 -0.430 64.2-132.8 -73.2 151.2 24.9 61.7 18.5 73 74 A L S >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.1 3,-0.7 0.330 79.6 107.8 -85.1 6.7 22.8 58.7 17.4 74 75 A L H 3> S+ 0 0 62 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.868 73.6 53.9 -52.7 -45.7 20.7 61.1 15.3 75 76 A P H 3> S+ 0 0 9 0, 0.0 4,-1.5 0, 0.0 -45,-0.4 0.839 110.3 48.5 -59.9 -30.9 22.2 59.8 11.9 76 77 A V H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.874 108.4 54.0 -72.9 -39.6 21.2 56.3 13.0 77 78 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.918 108.1 49.6 -57.9 -47.5 17.7 57.5 13.9 78 79 A N H X S+ 0 0 68 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.896 109.9 50.5 -59.6 -45.4 17.2 59.0 10.4 79 80 A Y H X S+ 0 0 23 -4,-1.5 4,-1.8 1,-0.2 3,-0.3 0.951 111.0 49.5 -54.9 -51.5 18.4 55.7 8.8 80 81 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.827 106.7 56.2 -59.2 -35.6 15.9 53.8 11.0 81 82 A K H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.895 109.3 45.6 -62.6 -42.2 13.1 56.3 10.0 82 83 A D H < S+ 0 0 131 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.831 118.4 42.8 -68.8 -32.9 13.7 55.5 6.3 83 84 A K H < S+ 0 0 101 -4,-1.8 2,-0.4 -5,-0.2 -2,-0.2 0.521 110.1 62.5 -95.5 -6.5 13.9 51.8 6.9 84 85 A L < - 0 0 14 -4,-1.2 4,-0.1 -3,-0.2 -1,-0.0 -0.965 54.3-160.2-126.9 137.0 10.9 51.5 9.3 85 86 A S S S+ 0 0 132 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.788 75.9 93.3 -74.7 -31.6 7.2 52.2 9.0 86 87 A N S S- 0 0 46 1,-0.1 2,-0.3 18,-0.0 18,-0.1 -0.265 94.9 -95.7 -58.4 144.6 7.1 52.3 12.8 87 88 A P - 0 0 82 0, 0.0 18,-2.9 0, 0.0 2,-0.4 -0.516 45.3-166.2 -66.7 128.2 7.4 55.8 14.4 88 89 A V E +e 105 0A 14 -2,-0.3 2,-0.3 16,-0.2 18,-0.2 -0.953 11.8 168.6-119.1 135.3 11.1 56.4 15.4 89 90 A R E -e 106 0A 90 16,-1.9 18,-2.7 -2,-0.4 2,-0.4 -0.999 29.7-124.9-147.7 147.8 12.4 59.2 17.7 90 91 A L E -e 107 0A 40 -2,-0.3 2,-0.5 16,-0.2 18,-0.2 -0.740 20.8-164.7 -90.4 133.7 15.6 60.1 19.6 91 92 A V E +e 108 0A 16 16,-2.5 18,-2.7 -2,-0.4 3,-0.1 -0.985 12.2 178.9-121.6 125.6 15.5 60.7 23.3 92 93 A K S S+ 0 0 110 -2,-0.5 2,-0.6 1,-0.2 3,-0.2 0.741 75.0 48.2 -97.5 -30.2 18.3 62.5 25.0 93 94 A D + 0 0 142 1,-0.1 -1,-0.2 2,-0.0 15,-0.0 -0.937 65.0 123.7-116.0 109.9 17.1 62.6 28.6 94 95 A Y > + 0 0 3 -2,-0.6 3,-1.4 -3,-0.1 -1,-0.1 0.441 35.9 100.8-143.3 -12.2 15.8 59.2 29.7 95 96 A L T 3 S+ 0 0 45 1,-0.3 3,-0.1 -3,-0.2 35,-0.1 0.746 93.3 44.0 -56.0 -26.1 17.8 58.2 32.9 96 97 A D T 3 S- 0 0 143 1,-0.4 -1,-0.3 35,-0.0 32,-0.1 -0.382 134.0 -45.3-115.8 52.3 14.7 59.3 34.9 97 98 A G < - 0 0 44 -3,-1.4 -1,-0.4 30,-0.2 2,-0.4 0.281 50.8-142.4 99.8 138.2 11.9 57.7 32.8 98 99 A V - 0 0 13 -3,-0.1 2,-0.8 33,-0.1 -4,-0.1 -0.998 16.1-129.2-133.2 137.4 11.0 57.5 29.1 99 100 A D + 0 0 139 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.776 37.3 169.5 -86.6 110.5 7.6 57.7 27.4 100 101 A V - 0 0 13 -2,-0.8 2,-0.2 -48,-0.1 -48,-0.1 -0.988 16.4-160.0-128.1 125.8 7.3 54.7 25.0 101 102 A A > - 0 0 52 -2,-0.4 3,-1.1 -48,-0.1 -48,-0.3 -0.541 37.3 -83.8 -94.3 164.8 4.2 53.5 23.3 102 103 A E T 3 S+ 0 0 121 1,-0.2 -50,-0.2 -2,-0.2 -51,-0.1 -0.488 112.8 13.3 -69.1 135.1 3.5 50.0 21.8 103 104 A G T 3 S+ 0 0 18 -52,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.363 103.5 110.4 81.5 -5.7 4.9 49.6 18.3 104 105 A E < - 0 0 25 -3,-1.1 -51,-1.2 -53,-0.2 2,-0.5 -0.687 61.2-135.3 -97.8 156.2 7.1 52.7 18.4 105 106 A L E -de 53 88A 0 -18,-2.9 -16,-1.9 -2,-0.3 2,-0.5 -0.956 13.4-166.8-115.4 123.1 10.8 52.8 18.6 106 107 A V E -de 54 89A 0 -53,-2.7 -51,-2.5 -2,-0.5 2,-0.7 -0.934 9.1-153.4-105.3 125.6 12.7 55.1 20.9 107 108 A V E -de 55 90A 0 -18,-2.7 -16,-2.5 -2,-0.5 2,-0.4 -0.896 13.5-144.6 -97.3 112.0 16.5 55.5 20.3 108 109 A L E -de 56 91A 0 -53,-2.1 -51,-0.5 -2,-0.7 3,-0.2 -0.664 31.8-102.3 -77.7 126.3 18.1 56.3 23.6 109 110 A E - 0 0 5 -18,-2.7 4,-0.1 -2,-0.4 -1,-0.1 -0.056 63.0 -53.4 -52.7 145.8 21.0 58.8 23.0 110 111 A N > - 0 0 1 -39,-0.2 3,-1.7 1,-0.2 4,-0.3 0.183 48.3-147.3 -18.8 110.4 24.6 57.5 23.0 111 112 A V G > S+ 0 0 0 -54,-1.7 3,-1.4 1,-0.3 6,-0.2 0.714 92.8 71.0 -62.6 -23.6 25.2 55.7 26.3 112 113 A R G 3 S+ 0 0 26 -55,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.528 85.2 68.3 -75.7 -6.7 28.8 56.8 26.4 113 114 A F G < S+ 0 0 17 -3,-1.7 -48,-3.4 -49,-0.2 2,-0.3 0.692 84.1 94.3 -75.2 -22.7 27.6 60.3 27.1 114 115 A N S X S- 0 0 21 -3,-1.4 3,-1.6 -4,-0.3 4,-0.3 -0.569 83.0-117.6 -83.5 131.5 26.4 59.1 30.5 115 116 A K T 3 S+ 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.474 100.1 25.5 -66.8 126.1 28.7 59.4 33.6 116 117 A G T 3 >S+ 0 0 13 -2,-0.3 5,-2.8 -4,-0.1 4,-0.3 0.307 85.6 116.6 103.4 -5.6 29.6 55.9 35.0 117 118 A E T X 5S+ 0 0 0 -3,-1.6 31,-2.0 1,-0.2 3,-1.2 0.942 78.1 40.9 -60.8 -54.9 29.1 54.0 31.7 118 119 A K T 3 5S+ 0 0 113 -4,-0.3 -1,-0.2 1,-0.2 28,-0.1 0.805 116.2 51.6 -64.3 -31.6 32.7 52.8 31.3 119 120 A K T 3 5S- 0 0 186 28,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.372 110.3-119.9 -90.6 3.2 33.1 52.0 35.0 120 121 A D T < 5 - 0 0 26 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.901 38.0-154.1 60.6 45.5 29.9 49.9 35.1 121 122 A D >< - 0 0 64 -5,-2.8 4,-2.4 1,-0.1 -1,-0.2 -0.242 13.4-143.5 -58.6 131.8 28.3 52.2 37.7 122 123 A E H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 5,-0.2 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3.8 312 313 A F T 3 + 0 0 9 -2,-1.7 -1,-0.2 1,-0.3 6,-0.1 0.595 66.1 79.9 -69.8 -11.2 47.6 41.2 1.5 313 314 A E T 3 S+ 0 0 107 4,-0.1 -1,-0.3 -3,-0.1 5,-0.1 0.812 88.9 64.0 -61.0 -32.0 47.4 45.0 1.5 314 315 A F S X S- 0 0 26 -3,-1.7 3,-2.0 3,-0.2 -1,-0.1 -0.869 81.9-144.5 -95.5 123.6 50.2 44.8 -1.1 315 316 A P G > S+ 0 0 79 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.853 100.8 59.8 -51.3 -40.2 49.2 43.0 -4.4 316 317 A N G 3 S+ 0 0 77 1,-0.3 -4,-0.1 -52,-0.2 -3,-0.0 0.577 113.8 36.9 -67.3 -10.9 52.7 41.5 -4.7 317 318 A F G < S+ 0 0 0 -3,-2.0 -1,-0.3 -6,-0.3 4,-0.2 -0.132 95.0 87.2-131.8 36.7 52.2 39.8 -1.3 318 319 A R <> + 0 0 66 -3,-1.4 4,-2.2 -6,-0.1 3,-0.4 0.648 63.0 84.3-106.9 -25.6 48.5 38.9 -1.7 319 320 A K H > S+ 0 0 102 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.848 88.8 52.5 -49.6 -46.5 48.8 35.5 -3.4 320 321 A G H > S+ 0 0 0 -35,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 112.5 42.6 -60.7 -45.4 49.3 33.6 -0.2 321 322 A T H > S+ 0 0 1 -3,-0.4 4,-3.0 -4,-0.2 -1,-0.2 0.803 111.0 57.5 -73.2 -29.9 46.2 34.9 1.5 322 323 A E H X S+ 0 0 86 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.939 108.2 45.8 -63.0 -48.3 44.2 34.6 -1.7 323 324 A I H X S+ 0 0 26 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.919 117.0 44.6 -59.4 -46.9 44.9 30.8 -1.9 324 325 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.934 113.1 49.7 -65.4 -48.7 44.2 30.3 1.9 325 326 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.907 114.2 45.5 -56.6 -45.8 40.9 32.5 1.8 326 327 A N H X S+ 0 0 43 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.812 109.1 56.1 -68.7 -32.9 39.6 30.6 -1.2 327 328 A A H X S+ 0 0 13 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.893 109.5 45.5 -64.6 -42.3 40.6 27.2 0.3 328 329 A I H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.887 114.6 50.1 -66.6 -40.6 38.5 27.9 3.4 329 330 A A H < S+ 0 0 10 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 113.7 42.3 -62.9 -48.0 35.6 29.2 1.2 330 331 A D H < S+ 0 0 114 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.567 94.7 105.1 -80.7 -10.5 35.6 26.1 -1.1 331 332 A S S < S- 0 0 13 -4,-0.8 -33,-0.1 -5,-0.2 4,-0.1 -0.425 73.0-136.1 -70.1 144.9 36.0 23.7 1.8 332 333 A E S S+ 0 0 201 -34,-0.5 -1,-0.1 -32,-0.2 -34,-0.1 0.443 72.0 115.0 -78.4 -1.3 33.0 21.7 3.0 333 334 A A S S- 0 0 7 -36,-0.3 2,-0.7 -33,-0.2 -31,-0.3 -0.257 82.2-104.0 -66.9 152.3 34.0 22.6 6.6 334 335 A F E -k 302 0D 33 -33,-2.4 -31,-3.0 -159,-0.1 2,-0.5 -0.745 48.0-158.3 -71.7 114.7 32.0 24.7 8.9 335 336 A S E -k 303 0D 2 -2,-0.7 22,-2.5 -33,-0.2 2,-0.4 -0.895 17.1-175.4-110.0 123.5 34.1 27.9 8.7 336 337 A I E -kl 304 357D 1 -33,-3.0 -31,-3.2 -2,-0.5 2,-0.4 -0.962 8.0-171.7-112.6 133.0 34.1 30.7 11.3 337 338 A A E +kl 305 358D 1 20,-2.4 22,-3.5 -2,-0.4 2,-0.3 -0.961 9.8 163.1-125.4 143.6 36.0 33.9 10.7 338 339 A G + 0 0 0 -33,-2.0 -31,-0.3 -2,-0.4 4,-0.2 -0.990 27.3 72.7-155.6 155.1 36.8 36.8 13.0 339 340 A G S > S- 0 0 6 20,-0.5 4,-2.4 -2,-0.3 5,-0.2 0.102 73.0-101.4 110.1 136.5 39.1 39.8 13.3 340 341 A G H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.891 123.5 47.1 -52.3 -47.7 39.2 43.1 11.5 341 342 A D H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.872 111.1 52.3 -61.9 -40.7 42.1 42.0 9.2 342 343 A T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.893 109.5 48.4 -62.9 -43.0 40.3 38.7 8.5 343 344 A L H X S+ 0 0 46 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.827 107.9 54.5 -70.2 -33.0 37.1 40.5 7.4 344 345 A A H X S+ 0 0 48 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.861 109.0 49.2 -65.6 -37.5 39.0 42.8 5.2 345 346 A A H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.891 108.6 53.5 -65.5 -42.1 40.5 39.7 3.5 346 347 A I H X>S+ 0 0 6 -4,-2.0 5,-1.9 1,-0.2 4,-0.7 0.908 112.7 43.2 -58.6 -45.1 37.0 38.3 3.2 347 348 A D H <5S+ 0 0 138 -4,-2.2 3,-0.2 3,-0.2 -1,-0.2 0.875 110.8 56.6 -68.0 -39.0 35.8 41.5 1.4 348 349 A L H <5S+ 0 0 70 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 116.6 33.6 -61.8 -40.6 39.0 41.6 -0.7 349 350 A F H <5S- 0 0 32 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.459 106.9-126.2 -98.0 -1.9 38.5 38.1 -2.2 350 351 A G T <5 + 0 0 51 -4,-0.7 -3,-0.2 -3,-0.2 3,-0.1 0.920 67.2 128.5 61.2 52.5 34.7 38.3 -2.2 351 352 A I >>< + 0 0 0 -5,-1.9 3,-2.3 -6,-0.1 4,-0.8 0.158 20.3 120.3-122.8 18.3 33.9 35.2 -0.2 352 353 A A G >4 S+ 0 0 52 -6,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.840 78.5 51.3 -52.3 -40.2 31.5 36.4 2.5 353 354 A D G 34 S+ 0 0 144 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.492 105.6 58.1 -77.2 -4.6 28.7 34.1 1.3 354 355 A K G <4 S+ 0 0 89 -3,-2.3 2,-0.5 3,-0.0 -1,-0.2 0.579 86.7 85.0-101.9 -16.2 31.1 31.1 1.4 355 356 A I S << S- 0 0 13 -4,-0.8 3,-0.2 -3,-0.6 -19,-0.1 -0.791 74.3-142.2 -88.1 128.6 32.1 31.4 5.1 356 357 A S S S+ 0 0 64 -2,-0.5 2,-0.4 1,-0.2 -20,-0.2 0.889 84.5 9.7 -58.3 -44.9 29.6 29.7 7.4 357 358 A Y E -l 336 0D 49 -22,-2.5 -20,-2.4 -3,-0.1 2,-0.6 -0.961 63.2-161.9-143.9 126.4 29.8 32.4 10.1 358 359 A I E -l 337 0D 53 -2,-0.4 2,-0.4 -3,-0.2 -20,-0.2 -0.918 14.1-153.8-108.1 114.5 31.4 35.8 10.1 359 360 A S - 0 0 0 -22,-3.5 -20,-0.5 -2,-0.6 3,-0.2 -0.717 17.3-175.3 -87.3 135.0 32.0 37.3 13.5 360 361 A T + 0 0 100 -2,-0.4 -1,-0.1 -22,-0.1 4,-0.1 0.171 57.2 110.0-106.6 12.8 32.2 41.1 13.8 361 362 A G > + 0 0 3 1,-0.2 3,-2.1 2,-0.1 2,-0.2 0.657 48.7 177.1 -64.9 -20.7 33.1 40.8 17.5 362 363 A G T 3> S+ 0 0 25 1,-0.3 4,-2.0 2,-0.2 3,-0.3 -0.309 73.2 10.9 56.4-116.4 36.7 41.9 17.0 363 364 A G H 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.826 132.4 54.5 -60.1 -35.2 38.4 42.1 20.4 364 365 A A H <> S+ 0 0 0 -3,-2.1 4,-1.6 -223,-0.2 -1,-0.2 0.828 106.1 52.6 -68.2 -34.5 35.5 40.2 21.9 365 366 A F H > S+ 0 0 1 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.947 111.8 45.0 -64.4 -50.3 35.9 37.4 19.4 366 367 A L H X S+ 0 0 37 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.898 112.0 52.2 -60.8 -43.8 39.6 37.0 20.2 367 368 A E H <>S+ 0 0 48 -4,-2.3 5,-2.0 2,-0.2 4,-0.3 0.810 108.8 50.3 -65.4 -31.3 38.9 37.1 23.9 368 369 A F H ><5S+ 0 0 38 -4,-1.6 3,-1.3 2,-0.2 -1,-0.2 0.915 110.2 49.7 -68.7 -44.5 36.3 34.4 23.7 369 370 A V H 3<5S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.818 103.7 61.1 -62.4 -33.7 38.7 32.2 21.7 370 371 A E T 3<5S- 0 0 33 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.643 117.2-114.8 -64.9 -17.8 41.3 32.8 24.4 371 372 A G T < 5 + 0 0 62 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.1 0.635 65.8 151.3 85.1 17.0 38.9 31.1 26.9 372 373 A K < - 0 0 109 -5,-2.0 2,-0.6 -6,-0.2 -1,-0.3 -0.469 53.2-106.1 -79.0 151.3 38.6 34.5 28.7 373 374 A V - 0 0 111 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.709 27.5-147.8 -82.0 118.7 35.4 35.2 30.7 374 375 A L > - 0 0 6 -2,-0.6 4,-2.9 1,-0.1 3,-0.3 -0.817 8.0-144.5 -89.9 117.1 33.3 37.8 28.8 375 376 A P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 -231,-0.2 0.849 95.9 48.5 -50.6 -48.8 31.4 39.9 31.4 376 377 A A H > S+ 0 0 1 -233,-2.2 4,-1.9 1,-0.2 5,-0.1 0.900 115.8 44.3 -61.2 -43.0 28.2 40.4 29.5 377 378 A V H > S+ 0 0 7 -234,-0.4 4,-2.8 -3,-0.3 -1,-0.2 0.900 112.3 52.4 -67.3 -43.0 27.9 36.7 28.6 378 379 A A H X S+ 0 0 26 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.909 109.0 50.7 -58.9 -44.5 28.8 35.7 32.2 379 380 A M H X S+ 0 0 23 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.929 112.6 45.4 -56.2 -49.6 26.1 38.0 33.5 380 381 A L H X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 -377,-0.4 0.860 111.6 52.3 -66.7 -37.3 23.5 36.4 31.1 381 382 A E H < S+ 0 0 91 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.866 111.9 47.9 -63.7 -37.7 24.7 32.9 32.0 382 383 A E H >< S+ 0 0 113 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.914 111.8 46.7 -70.4 -46.8 24.2 33.8 35.7 383 384 A R H 3< S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.6 53.1 -61.5 -38.4 20.7 35.2 35.3 384 385 A A T 3< S+ 0 0 27 -4,-2.1 2,-0.8 -383,-0.2 -1,-0.2 0.538 92.7 87.8 -72.9 -7.0 19.7 32.2 33.2 385 386 A K < 0 0 152 -3,-1.0 -1,-0.1 -4,-0.2 -4,-0.0 -0.827 360.0 360.0-101.1 101.4 21.0 30.0 36.0 386 387 A K 0 0 199 -2,-0.8 -1,-0.1 0, 0.0 -2,-0.1 0.261 360.0 360.0-121.3 360.0 18.1 29.4 38.5