==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-APR-12 4EHJ . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR J.S.BRUNZELLE,Z.WAWRZAK,T.SKARINA,E.GORDON,W.F.ANDERSON,A.SA . 780 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 3.5 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 . 2 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 . 70 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 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 0 2 0 2 1 4 3 4 2 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 8 6 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 1 0 4 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 2 0 0 2 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 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 0 138 0, 0.0 2,-0.3 0, 0.0 388,-0.3 0.000 360.0 360.0 360.0-161.6 56.6 27.0 51.2 2 3 A F - 0 0 34 387,-0.1 2,-0.2 386,-0.1 384,-0.2 -0.933 360.0 -96.8-138.3 159.2 57.3 23.4 52.3 3 4 A L - 0 0 48 382,-0.7 159,-2.3 157,-0.4 2,-0.2 -0.507 33.8-158.0 -81.2 150.0 57.8 21.9 55.7 4 5 A T B > -a 162 0A 30 157,-0.3 3,-1.3 -2,-0.2 159,-0.2 -0.705 35.0-101.3-117.9 170.9 61.2 21.3 57.3 5 6 A L G > S+ 0 0 6 157,-1.0 3,-1.3 1,-0.3 158,-0.1 0.844 119.0 62.9 -59.9 -35.3 62.4 18.9 60.1 6 7 A K G 3 S+ 0 0 175 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.648 105.1 45.6 -66.5 -17.4 62.3 21.9 62.5 7 8 A D G < S+ 0 0 91 -3,-1.3 2,-0.3 2,-0.0 -1,-0.3 0.038 99.5 79.5-120.8 35.3 58.5 22.3 62.1 8 9 A V S < S- 0 0 21 -3,-1.3 2,-0.6 -5,-0.1 126,-0.0 -0.957 79.7-112.9-135.3 150.3 57.3 18.6 62.4 9 10 A D + 0 0 127 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.0 -0.767 40.5 161.3 -85.5 116.0 56.7 16.3 65.4 10 11 A L > + 0 0 5 -2,-0.6 3,-1.4 39,-0.1 2,-0.2 0.522 28.2 123.4-112.4 -10.9 59.3 13.4 65.3 11 12 A K T 3 S- 0 0 64 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.406 92.3 -6.8 -62.3 119.5 59.1 12.1 68.9 12 13 A D T 3 S+ 0 0 87 38,-3.0 2,-0.3 -2,-0.2 -1,-0.3 0.839 106.6 135.1 60.5 42.5 58.3 8.3 68.9 13 14 A K < - 0 0 71 -3,-1.4 39,-3.1 37,-0.2 2,-0.8 -0.907 63.5-124.6-119.8 145.2 57.6 8.3 65.2 14 15 A K E -b 52 0A 77 -2,-0.3 119,-2.9 37,-0.2 120,-1.6 -0.838 37.3-163.3 -86.5 103.4 58.7 6.0 62.4 15 16 A V E -bc 53 134A 0 37,-3.2 39,-2.5 -2,-0.8 2,-0.5 -0.899 9.2-153.8-103.5 112.4 60.4 8.5 60.1 16 17 A L E -bc 54 135A 0 118,-2.9 120,-3.3 -2,-0.6 2,-0.5 -0.741 14.2-165.0 -82.5 121.8 61.1 7.4 56.5 17 18 A V E -bc 55 136A 0 37,-3.0 39,-2.6 -2,-0.5 2,-0.8 -0.955 13.2-153.6-116.0 125.6 64.1 9.3 55.0 18 19 A R E +bc 56 137A 0 118,-3.2 120,-2.7 -2,-0.5 2,-0.2 -0.866 29.8 174.1 -95.5 107.4 64.9 9.5 51.3 19 20 A V - 0 0 1 37,-3.0 2,-1.0 -2,-0.8 39,-0.4 -0.741 41.1-114.3-111.9 162.0 68.7 10.0 51.0 20 21 A D + 0 0 23 118,-0.4 19,-0.1 -2,-0.2 37,-0.1 -0.827 50.7 150.1 -96.6 89.2 71.3 10.2 48.2 21 22 A F + 0 0 0 -2,-1.0 2,-2.0 37,-0.4 -1,-0.1 -0.203 18.4 133.9-110.3 35.0 73.4 7.0 49.1 22 23 A N + 0 0 52 37,-0.1 37,-0.1 13,-0.0 -2,-0.0 -0.463 36.6 162.2 -82.9 63.8 74.3 6.3 45.4 23 24 A V - 0 0 4 -2,-2.0 2,-0.1 1,-0.1 -2,-0.1 -0.635 45.0-102.4 -88.1 144.3 77.9 5.8 46.5 24 25 A P - 0 0 61 0, 0.0 7,-2.4 0, 0.0 8,-0.7 -0.398 39.3-158.3 -67.2 139.8 80.6 4.0 44.4 25 26 A V E +G 30 0B 55 5,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.979 17.8 171.0-128.0 139.9 81.3 0.4 45.6 26 27 A K E > S-G 29 0B 140 3,-2.6 3,-0.9 -2,-0.4 0, 0.0 -0.946 72.3 -6.0-152.1 120.3 84.4 -1.9 45.0 27 28 A D T 3 S- 0 0 157 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.903 126.9 -57.5 57.9 49.7 85.1 -5.4 46.6 28 29 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 42,-0.0 -1,-0.2 0.569 120.6 103.0 62.4 13.0 82.0 -5.1 48.9 29 30 A K E < S-G 26 0B 159 -3,-0.9 -3,-2.6 49,-0.0 -1,-0.2 -0.968 75.5-118.3-123.8 139.3 83.4 -1.8 50.4 30 31 A V E -G 25 0B 26 45,-0.4 -5,-0.2 -2,-0.4 3,-0.1 -0.503 16.4-158.9 -73.5 143.8 82.2 1.8 49.6 31 32 A T S S+ 0 0 81 -7,-2.4 2,-0.4 1,-0.2 -6,-0.1 0.604 75.2 46.9-101.5 -13.5 85.0 3.9 48.1 32 33 A S - 0 0 37 -8,-0.7 -1,-0.2 1,-0.1 4,-0.1 -0.987 49.3-179.7-129.2 141.1 83.5 7.3 48.9 33 34 A K > + 0 0 119 -2,-0.4 4,-3.3 2,-0.1 3,-0.3 0.442 60.3 98.9-111.1 -8.7 82.0 8.5 52.3 34 35 A V H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.859 86.0 44.1 -50.7 -50.0 81.0 12.1 51.2 35 36 A R H > S+ 0 0 81 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.815 116.8 46.9 -67.3 -35.9 77.2 11.3 50.6 36 37 A I H >> S+ 0 0 0 -3,-0.3 4,-1.0 2,-0.2 3,-0.6 0.954 113.3 47.8 -69.9 -50.4 77.0 9.2 53.8 37 38 A E H 3< S+ 0 0 104 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.765 107.8 58.6 -59.6 -28.4 78.7 12.0 55.9 38 39 A A H 3< S+ 0 0 34 -4,-1.5 4,-0.3 -5,-0.3 -1,-0.2 0.874 104.6 48.3 -70.9 -38.3 76.4 14.5 54.2 39 40 A A H XX S+ 0 0 1 -4,-1.2 4,-1.8 -3,-0.6 3,-0.9 0.667 87.1 90.8 -76.1 -20.7 73.2 12.8 55.5 40 41 A I H 3X S+ 0 0 34 -4,-1.0 4,-3.0 1,-0.2 5,-0.2 0.853 81.8 53.9 -46.1 -51.4 74.5 12.5 59.2 41 42 A P H 3> S+ 0 0 67 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.838 110.5 47.5 -56.6 -35.1 73.1 16.0 60.4 42 43 A T H <> S+ 0 0 1 -3,-0.9 4,-2.0 -4,-0.3 -2,-0.2 0.950 115.0 45.0 -66.9 -51.5 69.5 15.0 59.2 43 44 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.915 112.8 50.9 -59.1 -49.7 69.8 11.5 60.9 44 45 A Q H X S+ 0 0 63 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.872 108.8 51.7 -59.6 -39.4 71.2 12.9 64.2 45 46 A Y H X S+ 0 0 58 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.938 111.2 47.1 -62.1 -47.0 68.4 15.5 64.4 46 47 A I H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-0.5 0.910 114.9 47.1 -59.1 -45.9 65.7 12.7 64.0 47 48 A L H ><5S+ 0 0 15 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.899 112.4 48.6 -62.6 -44.7 67.4 10.6 66.6 48 49 A D H 3<5S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.749 107.5 56.0 -68.4 -26.6 67.8 13.5 69.1 49 50 A Q T 3<5S- 0 0 90 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.561 124.4-105.3 -82.5 -7.9 64.1 14.4 68.6 50 51 A G T < 5S+ 0 0 28 -3,-1.0 -38,-3.0 -4,-0.5 -3,-0.2 0.676 73.7 135.0 93.0 24.0 63.2 10.8 69.7 51 52 A G < - 0 0 0 -5,-2.5 52,-2.4 -40,-0.2 2,-0.5 -0.382 56.2-114.7 -96.5 174.5 62.3 9.3 66.3 52 53 A A E -b 14 0A 4 -39,-3.1 -37,-3.2 50,-0.3 2,-0.5 -0.962 29.4-137.9-110.9 122.8 63.1 6.0 64.5 53 54 A V E -bd 15 105A 0 51,-2.0 53,-2.1 -2,-0.5 2,-0.6 -0.781 19.9-178.2 -90.6 122.8 65.1 6.4 61.3 54 55 A I E -bd 16 106A 0 -39,-2.5 -37,-3.0 -2,-0.5 2,-0.3 -0.946 21.0-151.5-116.8 96.3 64.2 4.3 58.2 55 56 A L E -bd 17 107A 0 51,-3.3 53,-2.5 -2,-0.6 2,-0.4 -0.584 13.5-172.6 -78.5 134.8 66.8 5.1 55.4 56 57 A X E +b 18 0A 0 -39,-2.6 -37,-3.0 -2,-0.3 2,-0.3 -0.996 14.7 147.8-130.1 130.9 65.8 4.9 51.8 57 58 A S - 0 0 0 -2,-0.4 54,-1.9 52,-0.3 2,-0.3 -0.981 38.1-124.3-155.9 165.3 68.0 5.2 48.7 58 59 A H - 0 0 13 -39,-0.4 -37,-0.4 -2,-0.3 2,-0.3 -0.721 21.6-164.6-103.3 156.5 68.8 4.2 45.1 59 60 A L - 0 0 9 -2,-0.3 -37,-0.1 1,-0.2 51,-0.0 -0.882 49.5 -43.2-151.3 112.2 72.2 2.7 44.1 60 61 A G S S- 0 0 18 -2,-0.3 -1,-0.2 1,-0.2 52,-0.1 -0.137 89.6 -50.8 66.8-155.6 73.3 2.5 40.5 61 62 A R + 0 0 225 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.645 67.6 161.6-119.4 71.4 71.2 1.4 37.6 62 63 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 5,-0.1 -0.391 41.7-105.1 -90.7 170.7 69.4 -2.0 38.4 63 64 A T > - 0 0 77 3,-0.4 3,-1.9 -2,-0.1 2,-0.2 -0.796 37.3-109.6 -93.3 133.5 66.4 -3.6 36.6 64 65 A E T 3 S+ 0 0 47 -2,-0.4 50,-0.2 1,-0.3 49,-0.2 -0.463 106.9 22.0 -63.9 124.0 63.0 -3.4 38.5 65 66 A G T 3 S+ 0 0 63 48,-3.0 2,-0.5 -2,-0.2 -1,-0.3 0.409 104.1 98.5 95.1 2.5 62.1 -7.0 39.6 66 67 A E < - 0 0 121 -3,-1.9 2,-0.5 47,-0.2 -3,-0.4 -0.916 60.5-155.6-125.5 98.7 65.7 -8.2 39.4 67 68 A Y - 0 0 120 -2,-0.5 2,-0.4 -5,-0.1 -3,-0.0 -0.660 16.6-177.4 -72.4 123.0 67.6 -8.3 42.7 68 69 A D > - 0 0 59 -2,-0.5 3,-2.5 1,-0.1 4,-0.3 -0.983 26.0-144.3-129.8 116.9 71.3 -8.0 41.9 69 70 A S G > S+ 0 0 88 -2,-0.4 3,-1.5 1,-0.3 5,-0.2 0.757 99.0 63.9 -44.8 -39.4 73.9 -8.2 44.8 70 71 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.1 -45,-0.1 0.554 105.9 46.7 -69.2 -6.7 76.3 -5.6 43.1 71 72 A F G < S+ 0 0 35 -3,-2.5 -1,-0.3 -11,-0.1 -2,-0.2 0.365 87.3 120.9-112.6 -0.1 73.4 -3.0 43.5 72 73 A S < - 0 0 9 -3,-1.5 4,-0.1 -4,-0.3 37,-0.1 -0.355 60.2-142.7 -68.3 146.7 72.7 -3.9 47.2 73 74 A L S > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.1 3,-0.1 0.137 74.1 106.4 -92.5 15.1 73.0 -1.1 49.8 74 75 A E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 79.5 49.5 -64.3 -41.1 74.4 -3.6 52.4 75 76 A P H > S+ 0 0 20 0, 0.0 4,-1.6 0, 0.0 -45,-0.4 0.791 110.9 51.7 -66.9 -24.2 78.0 -2.1 52.1 76 77 A V H > S+ 0 0 0 2,-0.2 4,-2.6 3,-0.1 -2,-0.2 0.887 107.8 51.0 -75.2 -40.9 76.5 1.4 52.5 77 78 A A H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -3,-0.1 0.952 111.9 47.5 -58.5 -49.6 74.7 0.2 55.8 78 79 A K H X S+ 0 0 105 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.854 112.5 49.3 -60.6 -41.3 78.0 -1.2 57.1 79 80 A A H X S+ 0 0 8 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.955 110.7 48.7 -64.7 -50.5 79.9 2.1 56.2 80 81 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.872 108.8 55.4 -55.5 -42.3 77.2 4.4 57.9 81 82 A S H X>S+ 0 0 38 -4,-2.2 4,-1.2 1,-0.2 5,-0.7 0.913 110.3 45.1 -56.6 -45.8 77.4 2.1 61.0 82 83 A E H <5S+ 0 0 147 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.768 118.2 44.9 -69.4 -30.7 81.2 2.7 61.2 83 84 A I H <5S+ 0 0 43 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.2 0.977 119.5 34.9 -78.9 -64.1 80.8 6.5 60.6 84 85 A I H <5S- 0 0 19 -4,-2.7 -3,-0.2 2,-0.1 -2,-0.2 0.648 100.8-132.9 -67.6 -15.8 77.8 7.5 62.9 85 86 A N T <5S+ 0 0 145 -4,-1.2 -3,-0.2 -5,-0.4 -4,-0.1 0.792 71.1 110.3 62.1 36.4 79.2 4.8 65.5 86 87 A K S +e 108 0A 18 16,-2.9 18,-1.5 -2,-0.7 3,-0.6 -0.845 16.3 175.6 -97.1 99.8 66.1 -4.5 55.9 92 93 A K T 3 S+ 0 0 93 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.776 85.3 34.3 -65.5 -37.7 66.2 -6.8 52.9 93 94 A D T 3 S+ 0 0 120 1,-0.1 3,-0.4 4,-0.1 -1,-0.2 -0.609 75.6 149.5-125.2 66.9 62.4 -7.2 52.8 94 95 A W X + 0 0 6 -3,-0.6 3,-1.7 -2,-0.3 -1,-0.1 0.785 60.1 66.3 -67.3 -37.3 61.5 -3.7 54.0 95 96 A L T 3 S+ 0 0 23 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 0.811 93.7 61.3 -63.0 -28.6 58.2 -3.3 52.1 96 97 A D T 3 S- 0 0 125 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.187 129.8 -61.2 -83.8 19.5 56.6 -6.1 54.2 97 98 A G < - 0 0 41 -3,-1.7 2,-0.5 1,-0.0 -1,-0.3 -0.023 44.2-122.2 111.3 145.3 57.2 -4.0 57.3 98 99 A V - 0 0 12 33,-0.2 2,-1.0 -3,-0.1 -4,-0.1 -0.981 13.2-151.3-123.6 117.4 60.1 -2.4 59.2 99 100 A D + 0 0 65 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.794 39.4 148.5 -89.3 97.5 60.6 -3.3 62.9 100 101 A V - 0 0 14 -2,-1.0 2,-0.2 -48,-0.1 -48,-0.1 -0.993 30.2-157.8-136.5 139.7 62.4 -0.2 64.3 101 102 A K > - 0 0 155 -2,-0.3 3,-1.7 1,-0.1 -48,-0.2 -0.695 43.5 -73.7-108.8 164.5 62.3 1.5 67.7 102 103 A A T 3 S+ 0 0 62 1,-0.2 -50,-0.3 -2,-0.2 -51,-0.1 -0.350 120.6 24.7 -60.2 134.5 63.1 5.1 68.7 103 104 A G T 3 S+ 0 0 41 -52,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.382 100.4 113.0 88.9 -0.8 66.9 5.8 68.5 104 105 A E < - 0 0 59 -3,-1.7 -51,-2.0 -53,-0.1 2,-0.4 -0.723 55.8-144.0-104.1 152.9 67.5 3.0 66.0 105 106 A I E -de 53 88A 2 -18,-0.7 -16,-2.1 -2,-0.3 2,-0.4 -0.967 14.8-174.9-116.4 132.5 68.7 3.2 62.4 106 107 A V E -de 54 89A 5 -53,-2.1 -51,-3.3 -2,-0.4 2,-0.5 -0.998 12.4-151.6-132.1 128.3 67.4 0.8 59.7 107 108 A X E -de 55 90A 0 -18,-3.1 -16,-2.9 -2,-0.4 2,-0.2 -0.912 14.3-146.6-100.6 119.5 68.7 0.8 56.0 108 109 A C E - e 0 91A 0 -53,-2.5 -51,-0.2 -2,-0.5 -16,-0.2 -0.523 26.4 -99.5 -81.0 157.5 66.2 -0.4 53.4 109 110 A E - 0 0 6 -18,-1.5 -52,-0.3 1,-0.2 -1,-0.1 -0.294 64.8 -60.9 -69.9 165.6 67.3 -2.3 50.3 110 111 A N > - 0 0 1 -39,-0.2 3,-1.1 1,-0.1 4,-0.3 -0.127 44.1-147.6 -56.4 130.5 67.7 -0.4 47.0 111 112 A V G > S+ 0 0 0 -54,-1.9 3,-2.5 1,-0.2 -53,-0.2 0.890 91.7 69.5 -65.5 -41.7 64.3 1.1 46.0 112 113 A R G 3 S+ 0 0 37 1,-0.3 -1,-0.2 -55,-0.2 6,-0.2 0.592 86.9 70.9 -57.9 -9.6 65.0 0.9 42.3 113 114 A F G < S+ 0 0 14 -3,-1.1 -48,-3.0 -49,-0.2 -1,-0.3 0.743 83.9 86.9 -74.5 -30.1 64.7 -3.0 42.7 114 115 A N S X S- 0 0 34 -3,-2.5 3,-1.2 -4,-0.3 2,-0.2 -0.469 88.5-108.8 -74.4 144.6 60.9 -2.7 43.3 115 116 A S T 3 S+ 0 0 87 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.499 102.2 23.8 -68.8 139.9 58.4 -2.6 40.5 116 117 A G T 3>>S+ 0 0 10 -2,-0.2 5,-1.6 -4,-0.1 4,-1.4 0.530 82.3 119.7 82.9 7.4 56.8 0.8 40.0 117 118 A E T <45S+ 0 0 0 -3,-1.2 31,-2.2 2,-0.2 3,-0.4 0.990 80.7 38.3 -66.4 -58.3 59.6 2.9 41.5 118 119 A K T 45S+ 0 0 116 1,-0.2 -1,-0.2 29,-0.2 28,-0.1 0.788 122.0 45.2 -59.8 -36.0 60.5 5.0 38.3 119 120 A K T 45S- 0 0 177 28,-0.1 -1,-0.2 2,-0.0 -2,-0.2 0.718 103.3-133.6 -81.5 -23.7 56.8 5.2 37.4 120 121 A S T <5 - 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0 0 22 -4,-1.1 4,-0.1 -3,-0.3 -33,-0.1 -0.271 65.0-150.4 -66.3 149.5 84.3 38.2 45.2 337 338 A H + 0 0 197 -32,-0.2 -1,-0.1 -34,-0.2 -31,-0.1 0.258 62.3 120.1-102.5 9.7 82.1 38.7 48.3 338 339 A A S S- 0 0 8 -33,-0.2 2,-0.7 -36,-0.2 -31,-0.2 -0.309 80.5-100.6 -69.2 152.4 79.1 37.9 46.2 339 340 A F E -k 307 0C 40 -33,-1.9 -31,-2.9 -158,-0.1 2,-0.5 -0.697 49.4-162.4 -75.1 113.7 76.8 35.0 47.1 340 341 A S E -k 308 0C 4 -2,-0.7 22,-2.4 -33,-0.2 2,-0.5 -0.930 15.7-171.9-110.7 131.1 78.1 32.4 44.6 341 342 A V E -kl 309 362C 0 -33,-2.9 -31,-3.6 -2,-0.5 2,-0.3 -0.988 9.8-174.6-122.4 120.3 76.3 29.2 43.6 342 343 A A E +kl 310 363C 0 20,-2.5 22,-3.2 -2,-0.5 2,-0.3 -0.883 8.9 162.6-116.9 146.9 78.1 26.6 41.4 343 344 A G + 0 0 0 -33,-2.1 -31,-0.3 -2,-0.3 22,-0.1 -0.965 27.4 76.2-160.5 150.7 76.8 23.4 39.8 344 345 A G S > S- 0 0 16 22,-0.5 4,-2.7 20,-0.5 5,-0.2 0.028 72.6-102.6 115.1 139.5 77.9 21.0 37.1 345 346 A G H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.886 123.4 45.7 -53.1 -46.4 80.6 18.3 36.8 346 347 A D H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.833 112.4 51.7 -66.4 -38.5 82.9 20.6 34.8 347 348 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 111.6 45.6 -64.9 -47.2 82.3 23.5 37.2 348 349 A I H X S+ 0 0 38 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.900 111.2 53.6 -64.6 -41.0 83.2 21.4 40.2 349 350 A A H X S+ 0 0 43 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.836 110.9 47.6 -60.9 -34.9 86.3 20.0 38.3 350 351 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.928 110.7 49.7 -70.9 -46.5 87.3 23.7 37.7 351 352 A I H X>S+ 0 0 2 -4,-2.5 5,-1.7 1,-0.2 4,-0.9 0.917 114.3 46.9 -56.5 -45.8 86.8 24.6 41.4 352 353 A E H <5S+ 0 0 126 -4,-2.7 3,-0.5 2,-0.2 -1,-0.2 0.907 113.3 47.5 -61.9 -49.0 88.9 21.5 42.4 353 354 A K H <5S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.918 118.2 39.8 -62.0 -45.8 91.7 22.3 39.9 354 355 A F H <5S- 0 0 34 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.497 105.9-128.7 -87.3 -0.6 91.9 26.0 40.9 355 356 A G T <5 + 0 0 56 -4,-0.9 -3,-0.2 -3,-0.5 3,-0.2 0.807 68.6 126.9 58.6 41.9 91.5 25.3 44.7 356 357 A I > < + 0 0 5 -5,-1.7 3,-2.7 -6,-0.2 4,-0.3 0.232 25.4 118.3-109.8 12.2 88.7 27.7 45.3 357 358 A K G > S+ 0 0 74 -6,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.884 78.1 49.4 -45.0 -51.1 86.2 25.2 46.9 358 359 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.492 108.2 56.9 -71.1 -2.1 86.2 27.2 50.3 359 360 A Q G < S+ 0 0 98 -3,-2.7 2,-0.4 3,-0.0 -1,-0.3 0.261 85.4 86.8-114.7 10.3 85.6 30.4 48.4 360 361 A V S < S- 0 0 13 -3,-1.5 3,-0.2 -4,-0.3 -19,-0.1 -0.925 73.8-141.4-106.4 129.8 82.3 29.4 46.6 361 362 A S S S+ 0 0 63 -2,-0.4 2,-0.4 1,-0.3 -20,-0.2 0.948 82.4 4.9 -60.9 -48.8 79.3 30.1 48.8 362 363 A Y E -l 341 0C 56 -22,-2.4 -20,-2.5 -3,-0.1 2,-0.6 -0.987 62.7-162.0-142.1 129.4 77.4 26.9 47.8 363 364 A I E -l 342 0C 45 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.937 14.7-147.3-113.9 115.4 78.5 24.0 45.6 364 365 A S - 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0 0 27 -4,-0.9 4,-0.1 -3,-0.4 -33,-0.1 -0.288 65.3-149.1 -66.6 151.3 59.4 52.6 76.7 728 338 B H + 0 0 194 -32,-0.2 -1,-0.1 -34,-0.2 -4,-0.1 0.271 63.9 119.0 -98.6 2.1 58.9 54.4 73.3 729 339 B A S S- 0 0 7 -33,-0.2 2,-0.6 -36,-0.2 -31,-0.2 -0.332 80.4-102.8 -70.0 151.1 58.6 57.7 75.3 730 340 B F E -y 698 0G 45 -33,-2.0 -31,-2.9 -158,-0.1 2,-0.5 -0.698 49.3-162.2 -73.0 113.0 61.1 60.5 74.7 731 341 B S E -y 699 0G 2 -2,-0.6 22,-2.5 -33,-0.2 2,-0.5 -0.927 17.2-172.2-111.0 131.3 63.2 60.1 77.9 732 342 B V E -yz 700 753G 0 -33,-3.0 -31,-3.6 -2,-0.5 2,-0.3 -0.988 10.7-174.9-122.3 120.0 65.5 62.7 79.4 733 343 B A E +yz 701 754G 0 20,-2.4 22,-3.1 -2,-0.5 2,-0.3 -0.879 9.3 160.2-116.7 148.5 67.8 61.6 82.3 734 344 B G + 0 0 0 -33,-1.8 -31,-0.2 -2,-0.3 22,-0.1 -0.964 24.7 78.8-163.6 152.6 70.1 63.7 84.5 735 345 B G S > S- 0 0 13 22,-0.5 4,-2.7 20,-0.4 5,-0.2 -0.007 72.4 -99.9 115.4 142.1 71.9 63.5 87.8 736 346 B G H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 123.9 44.4 -52.6 -46.3 75.0 61.7 89.1 737 347 B D H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.834 112.5 52.6 -69.9 -36.6 73.0 58.8 90.7 738 348 B T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.912 111.0 46.3 -64.7 -46.5 70.7 58.5 87.6 739 349 B I H X S+ 0 0 49 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.906 111.5 52.4 -64.5 -41.8 73.8 58.2 85.3 740 350 B A H X S+ 0 0 42 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.842 111.9 47.1 -60.6 -35.9 75.3 55.6 87.8 741 351 B A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.927 110.7 50.2 -71.4 -46.4 71.9 53.7 87.6 742 352 B I H X>S+ 0 0 2 -4,-2.6 5,-1.5 1,-0.2 4,-1.0 0.910 113.9 47.1 -56.5 -45.4 71.8 53.8 83.7 743 353 B E H <5S+ 0 0 117 -4,-2.6 3,-0.3 2,-0.2 -1,-0.2 0.905 113.2 47.3 -63.6 -46.4 75.5 52.5 83.7 744 354 B K H <5S+ 0 0 86 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 118.4 40.3 -62.8 -45.2 74.8 49.7 86.2 745 355 B F H <5S- 0 0 36 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.529 105.5-130.9 -86.9 -1.9 71.6 48.5 84.4 746 356 B G T <5 + 0 0 56 -4,-1.0 3,-0.2 -3,-0.3 -3,-0.2 0.759 66.7 127.8 58.8 38.9 73.2 49.0 80.9 747 357 B I > < + 0 0 6 -5,-1.5 3,-2.7 -6,-0.2 4,-0.3 0.203 24.7 119.2-107.4 13.3 70.3 51.0 79.4 748 358 B K G > S+ 0 0 113 -6,-0.5 3,-1.5 1,-0.3 -1,-0.2 0.881 77.6 48.9 -44.8 -51.7 72.5 54.0 78.1 749 359 B D G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.483 107.9 57.5 -71.4 -2.6 71.5 53.4 74.4 750 360 B Q G < S+ 0 0 103 -3,-2.7 2,-0.4 3,-0.0 -1,-0.3 0.283 85.8 86.3-111.8 6.2 67.8 53.2 75.4 751 361 B V S < S- 0 0 12 -3,-1.5 3,-0.2 -4,-0.3 -19,-0.1 -0.909 74.4-140.4-105.1 130.2 67.5 56.6 77.0 752 362 B S S S+ 0 0 62 -2,-0.4 2,-0.4 1,-0.3 -20,-0.2 0.948 83.4 4.3 -60.6 -48.0 66.6 59.4 74.5 753 363 B Y E -z 732 0G 55 -22,-2.5 -20,-2.4 -3,-0.1 2,-0.6 -0.983 62.7-162.5-143.0 128.7 68.9 62.0 76.0 754 364 B I E -z 733 0G 42 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.937 15.2-146.8-113.6 115.7 71.4 61.8 78.9 755 365 B S - 0 0 1 -22,-3.1 -20,-0.4 -2,-0.6 -16,-0.1 -0.624 8.5-164.3 -79.8 134.6 72.5 65.0 80.5 756 366 B T + 0 0 97 -2,-0.3 2,-0.2 -22,-0.1 -1,-0.1 0.398 61.0 102.3 -97.7 0.7 76.1 65.1 81.8 757 367 B A - 0 0 4 1,-0.2 -22,-0.5 2,-0.1 -2,-0.1 -0.559 48.4-172.5 -86.9 148.6 75.4 68.3 83.8 758 368 B G S > S+ 0 0 42 -226,-0.2 4,-1.7 -2,-0.2 -1,-0.2 0.809 80.0 17.4 -99.3 -82.6 74.7 68.3 87.6 759 369 B G H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.755 125.7 54.3 -64.1 -33.3 73.6 71.7 89.0 760 370 B A H > S+ 0 0 0 -228,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.902 108.7 47.7 -71.6 -42.8 72.7 73.1 85.5 761 371 B F H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.897 114.8 47.5 -63.1 -42.5 70.3 70.3 84.7 762 372 B L H X S+ 0 0 35 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.895 111.5 48.8 -65.2 -43.3 68.8 70.6 88.1 763 373 B E H <>S+ 0 0 27 -4,-2.2 5,-2.0 2,-0.2 4,-0.4 0.851 109.4 52.5 -64.8 -38.5 68.4 74.4 87.9 764 374 B F H ><5S+ 0 0 28 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.914 109.7 50.0 -60.0 -43.4 66.8 74.0 84.5 765 375 B L H 3<5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.741 102.8 60.1 -68.2 -25.6 64.4 71.5 86.1 766 376 B E T 3<5S- 0 0 34 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.600 118.4-115.9 -74.1 -14.3 63.7 74.1 88.9 767 377 B G T < 5 + 0 0 41 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.523 65.3 150.1 87.1 11.1 62.5 76.4 86.1 768 378 B K < - 0 0 106 -5,-2.0 2,-0.6 1,-0.1 -1,-0.3 -0.393 52.3-114.7 -74.4 150.7 65.3 78.9 86.8 769 379 B K - 0 0 155 -2,-0.1 -1,-0.1 -234,-0.0 -5,-0.0 -0.823 28.4-133.0 -90.8 118.0 66.7 81.0 83.9 770 380 B L >> - 0 0 4 -2,-0.6 4,-2.5 1,-0.1 3,-0.7 -0.624 8.1-141.0 -75.6 121.2 70.3 80.0 83.3 771 381 B P H 3> S+ 0 0 35 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.842 99.1 52.7 -53.0 -41.0 72.5 83.2 83.0 772 382 B A H 3> S+ 0 0 0 -238,-2.3 4,-1.0 2,-0.2 -237,-0.1 0.848 113.3 43.8 -66.0 -33.0 74.7 81.8 80.1 773 383 B I H <> S+ 0 0 6 -3,-0.7 4,-1.4 -239,-0.5 -1,-0.2 0.927 114.1 52.1 -74.0 -43.3 71.6 80.9 78.0 774 384 B E H X S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 3,-0.4 0.898 107.4 49.2 -58.6 -49.7 69.9 84.3 78.8 775 385 B I H X S+ 0 0 9 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.842 108.7 55.6 -61.6 -32.5 72.9 86.5 77.8 776 386 B L H X S+ 0 0 2 -4,-1.0 4,-0.6 -5,-0.2 -382,-0.5 0.845 108.6 47.9 -67.7 -33.3 73.0 84.5 74.5 777 387 B K H X S+ 0 0 40 -4,-1.4 4,-0.8 -3,-0.4 3,-0.4 0.865 110.4 50.6 -72.8 -40.5 69.4 85.5 73.9 778 388 B E H < S+ 0 0 111 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.822 111.0 49.6 -65.5 -34.5 70.0 89.2 74.7 779 389 B K H < S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.636 101.9 62.5 -80.2 -16.0 73.0 89.1 72.3 780 390 B A H < 0 0 36 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.754 360.0 360.0 -77.2 -26.3 70.7 87.5 69.6 781 391 B I < 0 0 182 -4,-0.8 -2,-0.1 -3,-0.3 -3,-0.1 0.708 360.0 360.0 -80.3 360.0 68.5 90.7 69.7