==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAY-12 4FEY . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR J.S.BRUNZELLE,Z.WAWRZAK,T.SKARINA,W.F.ANDERSON,A.SAVCHENKO,C . 392 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.6 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 . 1 0.3 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 2 0 1 1 3 1 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 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 . 0 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 1 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 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 0 199 0, 0.0 4,-0.1 0, 0.0 167,-0.0 0.000 360.0 360.0 360.0 -32.8 19.5 89.4 -26.7 2 2 A S + 0 0 76 2,-0.1 2,-0.3 389,-0.0 388,-0.2 0.693 360.0 48.9 -66.2 -25.6 20.8 86.1 -25.3 3 3 A F S S- 0 0 7 386,-0.1 384,-0.2 387,-0.1 2,-0.1 -0.778 98.2 -97.7-111.3 158.1 21.5 84.9 -28.9 4 4 A L - 0 0 27 382,-0.5 159,-2.3 157,-0.4 2,-0.2 -0.486 36.8-157.8 -76.1 148.3 23.3 86.7 -31.8 5 5 A T B > -a 163 0A 29 157,-0.2 3,-1.4 -2,-0.1 4,-0.3 -0.619 38.3 -87.2-116.3 175.9 21.2 88.5 -34.4 6 6 A L G > S+ 0 0 9 157,-0.7 3,-0.9 1,-0.3 5,-0.1 0.806 126.5 54.9 -55.7 -36.3 22.1 89.6 -38.0 7 7 A K G 3 S+ 0 0 169 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.652 101.8 58.8 -72.8 -18.7 23.6 92.9 -36.8 8 8 A D G < S+ 0 0 99 -3,-1.4 2,-0.3 2,-0.1 -1,-0.2 0.460 99.4 68.5 -90.3 -3.8 26.1 91.1 -34.4 9 9 A V S < S- 0 0 24 -3,-0.9 2,-0.7 -4,-0.3 126,-0.0 -0.819 83.6-111.6-120.2 158.6 27.8 88.9 -37.2 10 10 A D + 0 0 101 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.792 37.0 165.8 -89.9 113.0 30.1 89.6 -40.1 11 11 A L > + 0 0 3 -2,-0.7 3,-1.3 39,-0.1 2,-0.2 0.534 32.9 122.0-102.8 -11.7 28.2 88.9 -43.4 12 12 A K T 3 S- 0 0 123 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.383 91.6 -12.8 -62.7 123.4 30.7 90.5 -45.8 13 13 A D T 3 S+ 0 0 116 38,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.810 106.8 130.1 53.3 41.4 31.9 88.0 -48.5 14 14 A K < - 0 0 72 -3,-1.3 39,-2.4 37,-0.1 2,-0.8 -0.883 67.2-115.9-122.3 150.3 30.5 85.0 -46.6 15 15 A K E -b 53 0A 65 -2,-0.3 119,-3.0 37,-0.2 120,-1.7 -0.802 37.6-160.5 -83.1 109.8 28.3 82.1 -47.7 16 16 A V E -bc 54 135A 0 37,-3.2 39,-2.8 -2,-0.8 2,-0.4 -0.859 6.8-160.2-106.9 107.6 25.2 82.7 -45.6 17 17 A L E -bc 55 136A 0 118,-2.1 120,-2.9 -2,-0.7 2,-0.4 -0.674 11.9-167.3 -81.3 126.2 22.8 79.7 -45.0 18 18 A V E -bc 56 137A 0 37,-3.2 39,-2.7 -2,-0.4 2,-0.8 -0.986 16.4-151.1-123.8 124.8 19.3 80.8 -44.0 19 19 A R E +bc 57 138A 0 118,-2.6 120,-2.7 -2,-0.4 121,-0.3 -0.868 32.1 174.7 -93.5 107.5 16.6 78.5 -42.6 20 20 A V - 0 0 0 37,-2.3 2,-0.7 -2,-0.8 39,-0.4 -0.538 38.0-115.0-107.1 172.5 13.3 80.1 -43.7 21 21 A D + 0 0 23 118,-0.3 19,-0.1 15,-0.3 18,-0.1 -0.841 48.7 149.0-113.0 87.7 9.6 79.1 -43.5 22 22 A F + 0 0 0 -2,-0.7 2,-2.4 37,-0.3 -1,-0.1 -0.044 20.9 134.7-109.2 30.6 8.5 78.7 -47.1 23 23 A N + 0 0 50 37,-0.1 37,-0.1 13,-0.1 -1,-0.0 -0.458 36.1 160.1 -79.0 67.8 6.0 76.0 -46.1 24 24 A V - 0 0 7 -2,-2.4 2,-0.2 1,-0.1 37,-0.1 -0.585 48.5 -95.4 -91.9 152.4 3.4 77.7 -48.4 25 25 A P - 0 0 64 0, 0.0 7,-2.3 0, 0.0 8,-0.7 -0.532 43.3-164.9 -71.5 133.2 0.2 76.1 -49.9 26 26 A V E -G 31 0B 55 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.974 11.7-177.0-122.5 137.0 0.8 74.8 -53.5 27 27 A K E > S-G 30 0B 146 3,-3.3 3,-0.6 -2,-0.4 0, 0.0 -0.963 73.7 -15.8-139.1 117.9 -1.9 73.8 -56.1 28 28 A D T 3 S- 0 0 159 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.861 130.0 -50.1 55.5 46.1 -1.0 72.3 -59.5 29 29 A G T 3 S+ 0 0 49 1,-0.2 2,-0.3 42,-0.1 -1,-0.2 0.710 120.7 109.1 68.1 25.1 2.7 73.5 -59.2 30 30 A K E < S-G 27 0B 158 -3,-0.6 -3,-3.3 47,-0.0 2,-0.2 -0.999 71.6-118.1-136.7 134.9 1.5 77.0 -58.2 31 31 A V E -G 26 0B 31 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.495 18.0-169.8 -69.9 129.5 1.6 78.9 -54.9 32 32 A T S S+ 0 0 89 -7,-2.3 2,-0.3 1,-0.3 -1,-0.1 0.572 79.0 31.8 -96.8 -13.0 -1.9 79.9 -53.6 33 33 A S - 0 0 39 -8,-0.7 -1,-0.3 1,-0.1 3,-0.1 -0.987 53.0-177.7-145.8 132.9 -0.4 82.2 -50.9 34 34 A K >> + 0 0 90 -2,-0.3 4,-2.0 -3,-0.1 3,-1.2 0.388 54.7 110.3-109.6 0.1 2.8 84.2 -51.0 35 35 A V H 3> S+ 0 0 92 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.788 79.6 45.4 -44.9 -50.5 2.5 85.6 -47.4 36 36 A R H 3> S+ 0 0 74 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.720 111.5 52.6 -71.4 -27.3 5.5 83.6 -45.9 37 37 A I H <4 S+ 0 0 0 -3,-1.2 4,-0.3 2,-0.2 -2,-0.2 0.871 109.6 49.2 -75.0 -38.7 7.8 84.4 -49.0 38 38 A E H >< S+ 0 0 109 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.784 105.0 61.4 -68.0 -30.2 7.1 88.2 -48.5 39 39 A A H 3< S+ 0 0 37 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.873 102.5 47.5 -66.4 -42.0 7.9 87.8 -44.7 40 40 A A T 3X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.2 -1,-0.2 0.463 84.9 96.5 -82.7 -0.5 11.6 86.6 -45.3 41 41 A I H <> S+ 0 0 31 -3,-0.6 4,-3.2 -4,-0.3 5,-0.2 0.933 81.6 50.1 -56.7 -52.5 12.3 89.5 -47.8 42 42 A P H > S+ 0 0 63 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.897 111.3 49.6 -55.3 -42.0 13.9 91.9 -45.1 43 43 A T H > S+ 0 0 0 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.911 115.6 42.5 -59.4 -48.2 16.3 89.0 -43.9 44 44 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.953 116.2 49.3 -62.8 -51.7 17.4 88.2 -47.5 45 45 A Q H X S+ 0 0 74 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.882 109.0 52.4 -54.0 -48.1 17.7 92.0 -48.4 46 46 A Y H X S+ 0 0 55 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.907 109.8 47.2 -57.0 -50.3 19.8 92.7 -45.3 47 47 A I H X>S+ 0 0 0 -4,-1.7 5,-1.7 1,-0.2 4,-0.8 0.918 111.4 52.8 -57.5 -47.2 22.4 89.9 -46.0 48 48 A L H ><5S+ 0 0 17 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.834 109.1 48.9 -56.2 -41.7 22.6 91.1 -49.7 49 49 A D H 3<5S+ 0 0 113 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.770 105.5 58.1 -71.5 -28.9 23.4 94.7 -48.5 50 50 A Q H 3<5S- 0 0 85 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.665 122.7-104.7 -77.5 -14.0 26.1 93.4 -46.1 51 51 A G T <<5S+ 0 0 21 -4,-0.8 -38,-2.6 -3,-0.5 2,-0.2 0.656 75.1 128.9 100.1 23.4 27.9 91.8 -49.0 52 52 A G < - 0 0 0 -5,-1.7 52,-1.3 -40,-0.2 2,-0.4 -0.635 59.1-114.8-107.9 164.0 27.1 88.1 -48.5 53 53 A A E -b 15 0A 4 -39,-2.4 -37,-3.2 50,-0.2 2,-0.4 -0.839 31.4-137.2 -95.1 128.1 25.8 85.2 -50.7 54 54 A V E -bd 16 106A 0 51,-1.8 53,-2.2 -2,-0.4 2,-0.5 -0.792 17.9-173.5 -94.8 131.7 22.3 83.9 -49.5 55 55 A I E -bd 17 107A 0 -39,-2.8 -37,-3.2 -2,-0.4 2,-0.4 -0.969 15.6-153.8-122.7 105.0 21.7 80.1 -49.4 56 56 A L E -bd 18 108A 0 51,-3.6 53,-3.7 -2,-0.5 2,-0.4 -0.744 13.1-176.7 -90.1 131.5 18.0 79.4 -48.6 57 57 A M E +b 19 0A 0 -39,-2.7 -37,-2.3 -2,-0.4 2,-0.3 -0.973 14.2 155.3-123.0 136.3 16.9 76.2 -47.0 58 58 A S - 0 0 0 -2,-0.4 54,-2.1 52,-0.2 55,-0.3 -0.983 34.9-127.6-157.1 162.2 13.2 75.2 -46.3 59 59 A H - 0 0 12 -39,-0.4 -37,-0.3 -2,-0.3 2,-0.3 -0.681 20.9-167.7-103.7 161.3 10.7 72.4 -45.7 60 60 A L - 0 0 9 -2,-0.2 -37,-0.1 1,-0.2 53,-0.1 -0.922 48.4 -40.6-153.3 126.4 7.4 72.0 -47.7 61 61 A G S S- 0 0 33 -2,-0.3 -1,-0.2 1,-0.2 11,-0.1 -0.058 91.7 -50.4 60.8-148.8 4.6 69.7 -46.9 62 62 A R + 0 0 218 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.566 65.4 164.3-125.7 69.1 5.0 66.2 -45.6 63 63 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.375 44.5-102.2 -81.0 168.1 7.4 64.2 -47.9 64 64 A T > - 0 0 93 -2,-0.1 3,-1.1 1,-0.1 -2,-0.0 -0.783 41.2-115.1 -88.7 126.3 8.9 60.9 -46.8 65 65 A E T 3 S+ 0 0 61 -2,-0.5 50,-0.2 1,-0.2 49,-0.2 -0.291 98.1 34.0 -60.5 145.4 12.6 61.3 -45.7 66 66 A G T 3 S+ 0 0 43 48,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.450 109.2 81.4 88.1 4.1 15.2 59.6 -47.9 67 67 A E S < S- 0 0 126 -3,-1.1 2,-0.3 47,-0.3 -1,-0.2 -0.987 73.1-125.1-142.4 149.7 13.2 60.1 -51.1 68 68 A Y - 0 0 111 -2,-0.3 2,-0.3 -3,-0.1 5,-0.0 -0.730 24.4-177.0 -90.7 139.4 12.5 62.8 -53.6 69 69 A D > - 0 0 50 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.927 18.9-155.2-143.4 113.0 8.8 63.8 -54.3 70 70 A S G > S+ 0 0 92 -2,-0.3 3,-1.5 1,-0.3 5,-0.1 0.788 92.6 66.8 -58.0 -32.7 8.0 66.4 -57.0 71 71 A Q G 3 S+ 0 0 136 1,-0.3 -1,-0.3 3,-0.0 -42,-0.1 0.584 110.0 38.1 -68.4 -5.9 4.7 67.3 -55.4 72 72 A F G < S+ 0 0 43 -3,-1.9 -1,-0.3 -11,-0.1 -2,-0.2 0.173 86.4 130.4-126.8 11.8 6.8 68.8 -52.4 73 73 A S < - 0 0 9 -3,-1.5 4,-0.2 1,-0.1 37,-0.1 -0.406 57.3-139.6 -67.2 143.6 9.7 70.3 -54.5 74 74 A L S >> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.1 3,-0.6 0.372 76.4 106.3 -88.1 5.4 10.5 73.9 -53.6 75 75 A E H 3> S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.891 79.6 46.3 -53.2 -49.2 11.0 74.7 -57.4 76 76 A P H 3> S+ 0 0 31 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.796 112.0 53.2 -66.6 -24.3 7.7 76.7 -57.7 77 77 A V H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.849 105.8 53.0 -74.9 -35.7 8.6 78.6 -54.4 78 78 A A H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.880 112.3 44.8 -65.3 -38.9 12.0 79.5 -55.9 79 79 A K H X S+ 0 0 125 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.854 111.5 53.6 -72.4 -36.8 10.2 81.0 -59.0 80 80 A A H X S+ 0 0 4 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.862 108.7 48.9 -64.9 -40.1 7.7 82.7 -56.7 81 81 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.890 106.9 55.2 -66.5 -42.9 10.5 84.4 -54.7 82 82 A S H X S+ 0 0 39 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.790 108.4 51.3 -61.0 -30.6 12.3 85.6 -58.0 83 83 A E H < S+ 0 0 146 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.862 115.5 38.9 -71.9 -49.0 8.9 87.3 -58.9 84 84 A I H < S+ 0 0 53 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.1 0.912 122.7 41.1 -68.6 -46.7 8.5 89.1 -55.5 85 85 A I H < S- 0 0 19 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.2 0.850 92.2-142.4 -68.8 -38.6 12.2 90.0 -55.1 86 86 A N < + 0 0 145 -4,-1.4 -3,-0.1 -5,-0.4 -4,-0.1 0.511 68.5 110.1 81.8 5.9 12.7 90.9 -58.8 87 87 A K S S- 0 0 74 -6,-0.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.894 80.1 -97.6-115.4 142.9 16.1 89.3 -58.4 88 88 A P - 0 0 104 0, 0.0 18,-0.8 0, 0.0 2,-0.5 -0.289 33.5-159.8 -61.8 140.5 17.2 86.0 -60.0 89 89 A V E -e 106 0A 24 16,-0.1 18,-0.2 -11,-0.1 2,-0.2 -0.945 6.4-148.4-128.2 106.9 17.0 82.9 -57.7 90 90 A K E -e 107 0A 77 16,-1.9 18,-3.3 -2,-0.5 2,-0.6 -0.533 12.9-140.4 -71.9 136.2 19.0 79.8 -58.6 91 91 A F E -e 108 0A 51 -2,-0.2 2,-0.6 16,-0.2 18,-0.2 -0.912 14.9-162.0-105.2 114.8 17.4 76.5 -57.7 92 92 A A E +e 109 0A 13 16,-2.4 18,-1.5 -2,-0.6 3,-0.3 -0.872 24.0 163.6-104.2 114.8 19.9 74.0 -56.3 93 93 A K S S+ 0 0 114 -2,-0.6 3,-0.3 16,-0.2 -1,-0.2 0.711 85.0 47.6 -96.1 -26.7 18.8 70.3 -56.2 94 94 A D S >> S+ 0 0 114 1,-0.2 4,-1.3 4,-0.1 3,-0.7 -0.168 75.8 129.3-103.5 31.0 22.4 69.0 -55.8 95 95 A W T 34 + 0 0 5 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.732 59.0 64.5 -62.1 -30.2 23.0 71.5 -53.0 96 96 A L T 34 S+ 0 0 24 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.816 103.9 46.1 -65.5 -38.5 24.4 68.9 -50.4 97 97 A D T <4 S- 0 0 137 -3,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.919 133.9 -27.8 -67.8 -50.9 27.4 68.1 -52.5 98 98 A G < - 0 0 34 -4,-1.3 2,-0.4 2,-0.0 -1,-0.3 -0.952 49.9-151.1-161.3 153.5 28.3 71.7 -53.3 99 99 A V - 0 0 11 -2,-0.3 2,-0.6 -3,-0.1 -4,-0.0 -0.995 10.4-160.3-128.4 129.1 26.7 75.1 -53.6 100 100 A D + 0 0 138 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.930 26.1 150.5-112.1 118.5 28.2 77.8 -55.8 101 101 A V - 0 0 18 -2,-0.6 2,-0.4 -48,-0.1 -48,-0.1 -0.994 30.0-150.0-145.4 150.0 27.2 81.4 -55.1 102 102 A K > - 0 0 148 -2,-0.3 3,-2.0 -50,-0.1 -48,-0.2 -0.976 44.3 -84.2-123.7 132.8 28.6 84.9 -55.5 103 103 A A T 3 S+ 0 0 57 -2,-0.4 -50,-0.2 1,-0.3 -51,-0.1 0.085 118.2 32.1 -32.6 138.0 27.9 87.8 -53.2 104 104 A G T 3 S+ 0 0 44 -52,-1.3 2,-0.3 1,-0.3 -1,-0.3 0.195 99.2 106.1 92.1 -13.3 24.7 89.6 -54.4 105 105 A E < - 0 0 60 -3,-2.0 -51,-1.8 -18,-0.0 2,-0.4 -0.700 58.6-145.1 -98.2 152.6 23.1 86.3 -55.6 106 106 A I E -de 54 89A 2 -18,-0.8 -16,-1.9 -2,-0.3 2,-0.4 -0.972 13.0-169.3-117.9 128.2 20.2 84.2 -54.0 107 107 A V E -de 55 90A 5 -53,-2.2 -51,-3.6 -2,-0.4 2,-0.6 -0.968 9.7-152.2-122.5 133.7 20.1 80.4 -54.2 108 108 A M E -de 56 91A 0 -18,-3.3 -16,-2.4 -2,-0.4 -51,-0.2 -0.932 14.9-146.2-103.8 112.7 17.1 78.3 -53.1 109 109 A C E - e 0 92A 0 -53,-3.7 -16,-0.2 -2,-0.6 2,-0.1 -0.359 26.4-100.8 -72.8 158.4 18.0 74.7 -51.9 110 110 A E - 0 0 4 -18,-1.5 -52,-0.2 1,-0.2 -1,-0.1 -0.484 65.8 -59.0 -75.7 160.1 15.7 71.8 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113.0 49.8 -61.2 -44.6 -8.6 93.7 -27.2 335 335 A A H < S+ 0 0 15 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.881 115.4 42.5 -58.2 -44.3 -8.7 96.3 -30.1 336 336 A Q H < S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.672 99.0 77.2 -74.8 -25.0 -9.8 99.2 -27.7 337 337 A S H < S- 0 0 22 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.790 73.9-158.1 -57.3 -42.0 -7.3 98.1 -24.9 338 338 A H < + 0 0 182 -4,-0.7 -1,-0.1 -3,-0.4 -3,-0.1 0.515 46.7 138.2 64.8 10.1 -4.1 99.6 -26.6 339 339 A A S S- 0 0 9 -5,-0.3 2,-0.9 -36,-0.2 23,-0.3 -0.322 74.6 -86.0 -73.3 159.3 -2.2 97.1 -24.4 340 340 A F E -k 308 0C 47 -33,-2.3 -31,-2.4 -3,-0.1 2,-0.4 -0.637 59.4-164.8 -71.7 109.3 0.7 95.1 -25.9 341 341 A S E -k 309 0C 2 -2,-0.9 22,-2.3 -33,-0.2 2,-0.5 -0.889 17.2-171.7-106.0 131.0 -1.3 92.2 -27.4 342 342 A V E -kl 310 363C 0 -33,-2.7 -31,-3.1 -2,-0.4 2,-0.3 -0.981 10.6-174.8-120.9 118.5 0.1 88.9 -28.6 343 343 A A E +kl 311 364C 0 20,-2.4 22,-2.9 -2,-0.5 2,-0.3 -0.864 8.4 162.6-112.5 149.4 -2.2 86.5 -30.5 344 344 A G E + l 0 365C 0 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3<5S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.2 37.5 -61.5 -43.4 -13.7 88.1 -39.1 355 355 A F T 3<5S- 0 0 39 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.416 105.0-132.0 -93.8 5.1 -13.9 91.1 -36.7 356 356 A G T < 5 + 0 0 56 -3,-0.6 -3,-0.2 -4,-0.4 3,-0.1 0.836 66.2 127.2 47.0 48.5 -11.2 93.0 -38.8 357 357 A I < + 0 0 3 -5,-1.6 3,-0.4 -6,-0.1 4,-0.2 0.009 24.0 121.9-113.9 22.0 -9.1 94.1 -35.8 358 358 A K S > S+ 0 0 118 -6,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.865 74.8 48.6 -59.3 -41.0 -5.8 92.8 -37.2 359 359 A D T 3 S+ 0 0 139 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.848 103.4 61.6 -63.8 -36.4 -4.0 96.2 -37.1 360 360 A Q T 3 S+ 0 0 100 -3,-0.4 2,-0.5 -4,-0.1 -22,-0.3 0.335 89.5 84.1 -77.7 6.1 -5.2 96.8 -33.5 361 361 A V S < S- 0 0 8 -3,-1.2 3,-0.1 -4,-0.2 -19,-0.1 -0.968 72.3-148.7-111.6 121.2 -3.2 93.6 -32.3 362 362 A S S S+ 0 0 66 -2,-0.5 2,-0.4 -23,-0.3 -20,-0.2 0.885 79.0 11.4 -61.5 -44.0 0.5 94.3 -31.7 363 363 A Y E -l 342 0C 53 -22,-2.3 -20,-2.4 -190,-0.1 2,-0.5 -0.999 58.1-167.9-140.1 140.3 1.7 90.9 -32.7 364 364 A I E -l 343 0C 48 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.956 14.3-151.9-127.3 112.3 0.2 87.9 -34.5 365 365 A S E -l 344 0C 0 -22,-2.9 -20,-0.5 -2,-0.5 -16,-0.1 -0.684 9.5-169.7 -79.1 130.2 2.0 84.6 -34.5 366 366 A T + 0 0 91 -2,-0.4 -1,-0.1 -22,-0.1 2,-0.1 0.300 55.3 111.3 -99.9 7.0 1.3 82.4 -37.5 367 367 A A - 0 0 7 1,-0.1 -22,-0.5 2,-0.1 -2,-0.1 -0.395 49.3-165.1 -78.0 156.1 3.2 79.5 -35.8 368 368 A G S > S+ 0 0 51 -226,-0.2 4,-1.8 -2,-0.1 3,-0.3 0.628 77.1 5.3-102.8 -97.9 1.4 76.4 -34.5 369 369 A G H > S+ 0 0 37 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.820 127.7 61.1 -60.2 -34.5 3.1 74.0 -32.1 370 370 A A H > S+ 0 0 0 -228,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.927 107.1 45.3 -60.2 -43.9 6.1 76.4 -31.9 371 371 A F H > S+ 0 0 2 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.916 115.8 46.7 -65.0 -45.1 3.8 79.1 -30.4 372 372 A L H X S+ 0 0 40 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.899 109.8 52.1 -66.8 -41.2 2.1 76.6 -28.0 373 373 A E H <>S+ 0 0 48 -4,-3.5 5,-2.2 1,-0.2 4,-0.3 0.877 110.7 49.1 -63.2 -35.5 5.4 75.1 -26.8 374 374 A F H ><5S+ 0 0 27 -4,-1.8 3,-1.4 -5,-0.2 -1,-0.2 0.911 109.8 51.1 -67.9 -41.6 6.7 78.6 -26.0 375 375 A L H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 105.1 57.9 -65.0 -25.4 3.4 79.4 -24.1 376 376 A E T 3<5S- 0 0 37 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.553 118.2-116.0 -78.7 -12.5 4.0 76.1 -22.2 377 377 A G T < 5 + 0 0 44 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.651 64.6 149.9 83.0 20.3 7.3 77.5 -21.0 378 378 A K < - 0 0 102 -5,-2.2 2,-0.4 1,-0.1 -1,-0.2 -0.405 52.0-106.2 -84.6 158.8 9.3 74.8 -22.8 379 379 A K - 0 0 140 -2,-0.1 -1,-0.1 -234,-0.0 3,-0.1 -0.725 25.7-142.4 -83.8 131.4 12.8 75.1 -24.3 380 380 A L >> - 0 0 3 -2,-0.4 4,-2.0 1,-0.1 3,-1.6 -0.875 9.0-143.7 -96.8 111.1 12.9 75.3 -28.1 381 381 A P H 3> S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.805 98.1 53.9 -45.4 -39.9 16.0 73.3 -29.3 382 382 A A H 3> S+ 0 0 0 -238,-1.9 4,-0.8 2,-0.2 -237,-0.1 0.808 112.3 44.5 -64.5 -33.0 16.7 75.7 -32.2 383 383 A I H <> S+ 0 0 5 -3,-1.6 4,-1.5 -239,-0.5 3,-0.2 0.911 110.9 53.5 -77.6 -44.8 16.7 78.7 -29.8 384 384 A E H X S+ 0 0 58 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.830 105.8 52.1 -58.5 -42.6 18.9 77.0 -27.1 385 385 A I H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.882 108.3 52.5 -66.4 -34.4 21.7 76.0 -29.6 386 386 A L H < S+ 0 0 1 -4,-0.8 -382,-0.5 2,-0.2 4,-0.4 0.823 107.0 53.0 -68.6 -33.0 21.9 79.7 -30.7 387 387 A K H >< S+ 0 0 45 -4,-1.5 3,-0.9 2,-0.2 4,-0.5 0.938 111.3 46.0 -65.4 -46.4 22.2 80.7 -27.0 388 388 A E H >< S+ 0 0 114 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.864 113.5 48.6 -59.9 -44.4 25.2 78.3 -26.6 389 389 A K T 3< S+ 0 0 75 -4,-2.0 -228,-0.3 1,-0.2 -1,-0.2 0.436 101.3 65.8 -82.0 -1.4 26.8 79.4 -29.8 390 390 A A T < S+ 0 0 17 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.601 77.0 107.6 -91.0 -18.2 26.4 83.1 -28.8 391 391 A I < 0 0 127 -3,-0.9 -389,-0.0 -4,-0.5 -388,-0.0 -0.440 360.0 360.0 -65.7 131.5 28.9 82.7 -25.9 392 392 A R 0 0 203 -2,-0.1 -2,-0.1 0, 0.0 -1,-0.0 -0.725 360.0 360.0-132.5 360.0 32.4 84.4 -26.4