==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-FEB-12 4DQ6 . COMPND 2 MOLECULE: PUTATIVE PYRIDOXAL PHOSPHATE-DEPENDENT TRANSFERAS . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR I.G.SHABALIN,O.ONOPRIYENKO,M.KUDRITSKA,M.CHRUSZCZ,S.GRIMSHAW . 776 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 61 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 34.3 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 4 4 0 2 2 0 2 1 3 5 1 4 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 PARALLEL BRIDGES PER LADDER . 6 6 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 0 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 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 0 109 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.6 -10.9 32.7 38.3 2 2 A N + 0 0 139 1,-0.1 286,-0.1 2,-0.0 289,-0.0 -0.985 360.0 173.4-127.4 132.6 -10.0 29.0 37.9 3 3 A Y - 0 0 74 -2,-0.4 -1,-0.1 285,-0.1 285,-0.0 0.095 52.8-110.7-121.9 17.3 -6.9 27.2 39.3 4 4 A N > + 0 0 83 1,-0.1 3,-1.3 2,-0.1 -2,-0.0 0.919 47.8 169.4 55.7 54.2 -7.8 23.5 38.4 5 5 A F T 3 S+ 0 0 13 1,-0.2 -1,-0.1 36,-0.1 35,-0.0 0.738 71.0 70.4 -67.6 -13.8 -8.3 22.2 41.9 6 6 A N T 3 S+ 0 0 100 366,-0.1 -1,-0.2 367,-0.1 368,-0.2 0.718 73.7 111.7 -73.3 -21.3 -9.8 19.0 40.3 7 7 A E S < S- 0 0 75 -3,-1.3 2,-0.3 1,-0.1 0, 0.0 -0.260 71.5-126.0 -55.9 131.1 -6.3 18.0 39.1 8 8 A I - 0 0 137 363,-0.1 2,-0.5 33,-0.0 -1,-0.1 -0.616 26.2-172.8 -69.9 130.9 -4.8 14.9 40.8 9 9 A V - 0 0 31 -2,-0.3 2,-0.1 31,-0.3 -1,-0.0 -0.855 14.5-148.0-127.4 97.9 -1.3 15.8 42.3 10 10 A D - 0 0 100 -2,-0.5 3,-0.2 1,-0.1 -2,-0.0 -0.396 12.2-170.9 -65.5 133.5 0.3 12.6 43.5 11 11 A R > > + 0 0 1 1,-0.1 3,-1.6 2,-0.1 5,-0.6 0.211 53.7 111.6-113.7 17.3 2.5 13.4 46.5 12 12 A S T 3 5S+ 0 0 81 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.738 90.1 38.5 -59.0 -27.1 4.2 10.0 46.8 13 13 A N T 3 5S+ 0 0 93 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.241 96.5 87.3 -97.7 -1.3 7.5 11.8 45.7 14 14 A N T < 5S- 0 0 3 -3,-1.6 436,-0.2 2,-0.1 -1,-0.1 0.158 96.3-118.4 -98.4 12.0 6.8 15.0 47.6 15 15 A F T 5 + 0 0 52 -3,-0.2 438,-2.1 1,-0.2 2,-0.5 0.886 55.4 170.2 54.4 43.9 8.4 14.1 51.1 16 16 A S B >< -A 452 0A 1 -5,-0.6 4,-1.8 436,-0.2 436,-0.2 -0.765 38.3-156.7 -98.8 122.7 4.9 14.5 52.6 17 17 A S H > S+ 0 0 0 434,-2.3 4,-2.5 -2,-0.5 -1,-0.2 0.910 97.3 59.9 -62.3 -35.4 4.2 13.5 56.1 18 18 A K H 4 S+ 0 0 0 433,-0.4 -1,-0.2 1,-0.2 17,-0.1 0.892 118.2 29.1 -56.1 -43.9 0.5 13.2 55.2 19 19 A W H 4 S+ 0 0 63 -8,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.658 130.9 36.5 -90.0 -16.8 1.4 10.6 52.5 20 20 A S H < S+ 0 0 41 -4,-1.8 3,-0.3 1,-0.1 -3,-0.2 0.557 106.3 57.5-118.5 -17.2 4.5 9.0 54.1 21 21 A E X + 0 0 45 -4,-2.5 4,-0.9 -5,-0.2 3,-0.3 0.182 68.9 102.9-106.8 18.6 4.1 8.9 57.9 22 22 A M H >> + 0 0 1 1,-0.2 4,-3.6 2,-0.2 5,-0.6 0.834 68.7 71.4 -70.9 -26.8 0.9 6.8 58.3 23 23 A E H >5S+ 0 0 132 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.920 98.9 44.3 -52.9 -50.7 2.8 3.7 59.3 24 24 A K H 45S+ 0 0 110 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.850 123.9 36.5 -66.6 -29.7 3.8 4.9 62.7 25 25 A K H <5S+ 0 0 65 -4,-0.9 -2,-0.2 -3,-0.1 -1,-0.2 0.886 133.7 19.9 -90.5 -40.1 0.3 6.2 63.4 26 26 A Y H <5S- 0 0 29 -4,-3.6 -3,-0.2 2,-0.3 -2,-0.2 0.482 101.9-110.6-111.7 -11.2 -2.0 3.7 61.7 27 27 A G S <> - 0 0 0 193,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.169 41.7-116.2 -54.7 142.7 -1.0 29.5 44.4 45 45 A P H 3> S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.870 114.8 57.0 -51.9 -37.7 0.8 30.5 41.2 46 46 A C H 3> S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.846 107.0 49.0 -62.6 -34.6 2.1 33.7 42.8 47 47 A I H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.957 111.0 49.3 -70.1 -44.8 3.8 31.7 45.6 48 48 A I H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.931 112.7 48.5 -60.5 -41.4 5.5 29.3 43.1 49 49 A D H X S+ 0 0 102 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.892 108.6 52.3 -72.8 -32.4 6.7 32.2 41.1 50 50 A S H X S+ 0 0 22 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.915 111.3 48.7 -62.8 -41.3 8.1 34.0 44.1 51 51 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.913 110.7 50.6 -66.3 -38.6 9.9 30.8 45.1 52 52 A K H X S+ 0 0 76 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.940 109.9 49.5 -65.9 -42.6 11.3 30.5 41.5 53 53 A N H < S+ 0 0 94 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.919 114.2 45.1 -62.0 -42.8 12.6 34.1 41.5 54 54 A R H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-0.4 0.897 111.7 52.4 -66.5 -45.6 14.3 33.6 44.8 55 55 A L H >< S+ 0 0 3 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.927 101.8 61.0 -53.9 -46.5 15.8 30.2 43.8 56 56 A E T 3< S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.614 87.0 72.2 -67.6 -8.1 17.2 31.7 40.6 57 57 A Q T < S- 0 0 43 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.773 90.1-152.8 -70.9 -29.1 19.4 34.1 42.6 58 58 A E < + 0 0 43 -3,-2.0 374,-2.6 -4,-0.4 2,-0.4 0.498 59.0 100.6 75.9 8.5 21.4 31.0 43.5 59 59 A I - 0 0 1 -5,-0.3 2,-0.1 372,-0.2 372,-0.1 -0.998 44.6-177.7-126.7 128.5 22.7 32.2 46.9 60 60 A Y + 0 0 0 567,-0.8 570,-2.4 -2,-0.4 571,-0.5 -0.454 29.6 135.0-126.1 54.8 21.0 31.1 50.1 61 61 A G - 0 0 1 568,-0.2 211,-0.1 1,-0.2 366,-0.1 -0.015 64.8 -34.2 -91.7-165.1 22.7 32.8 53.0 62 62 A Y - 0 0 54 1,-0.1 344,-2.2 343,-0.1 2,-0.4 -0.319 68.4-135.2 -62.6 133.8 21.4 34.5 56.1 63 63 A T B -C 405 0C 3 207,-0.4 342,-0.2 342,-0.2 207,-0.2 -0.787 9.7-149.4-103.9 127.2 18.2 36.3 55.3 64 64 A T - 0 0 17 340,-2.2 342,-0.1 -2,-0.4 205,-0.0 -0.561 17.8-128.5 -87.1 153.4 17.1 39.7 56.3 65 65 A R - 0 0 73 -2,-0.2 5,-0.0 340,-0.0 340,-0.0 -0.881 27.1-151.6-103.4 100.8 13.4 40.6 56.9 66 66 A P >> - 0 0 35 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.349 27.8-108.2 -71.1 159.3 12.7 43.7 54.8 67 67 A D H 3> S+ 0 0 132 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.814 115.5 69.4 -56.0 -31.3 10.0 46.2 55.9 68 68 A S H 3> S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.769 90.5 62.3 -59.2 -26.0 7.8 44.9 53.0 69 69 A Y H <> S+ 0 0 2 -3,-1.8 4,-1.2 2,-0.2 3,-0.4 0.988 110.4 34.8 -66.7 -56.8 7.4 41.5 54.8 70 70 A N H X S+ 0 0 35 -4,-0.7 4,-2.7 1,-0.2 5,-0.2 0.862 113.7 61.7 -69.7 -30.0 5.6 42.8 57.9 71 71 A E H X S+ 0 0 102 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.898 101.5 52.9 -58.3 -38.6 3.8 45.5 55.8 72 72 A S H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.4 -1,-0.2 0.868 110.8 46.9 -64.3 -37.9 2.2 42.6 53.8 73 73 A I H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.934 111.5 49.2 -66.8 -50.4 0.9 41.2 57.1 74 74 A V H X S+ 0 0 17 -4,-2.7 4,-1.8 1,-0.2 11,-0.2 0.930 112.8 49.2 -55.6 -45.1 -0.4 44.5 58.4 75 75 A N H X S+ 0 0 81 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.906 109.8 51.2 -66.3 -39.9 -2.2 45.1 55.1 76 76 A W H X>S+ 0 0 1 -4,-2.0 4,-2.9 -5,-0.2 5,-0.6 0.946 108.2 50.9 -56.4 -50.0 -3.7 41.6 55.1 77 77 A L H X5S+ 0 0 0 -4,-2.6 6,-1.9 1,-0.2 4,-1.4 0.886 115.2 43.0 -64.6 -37.0 -5.1 41.9 58.6 78 78 A Y H X5S+ 0 0 103 -4,-1.8 4,-1.6 4,-0.2 -1,-0.2 0.956 117.9 44.0 -67.9 -47.1 -6.7 45.3 57.8 79 79 A R H <5S+ 0 0 104 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.886 126.1 30.4 -63.3 -46.1 -8.1 44.3 54.3 80 80 A R H <5S+ 0 0 44 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.821 136.1 19.7 -86.4 -35.8 -9.4 40.9 55.4 81 81 A H H < - 0 0 121 -2,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.913 17.2-132.0-104.3 142.0 1.2 48.1 64.0 87 87 A S G > S+ 0 0 47 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.832 106.2 68.7 -58.5 -29.9 4.2 46.4 62.3 88 88 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 160,-0.0 161,-0.0 0.638 89.7 63.0 -65.2 -16.0 6.0 46.9 65.6 89 89 A W G < S+ 0 0 30 -3,-2.0 160,-2.8 159,-0.1 2,-0.4 0.525 83.9 103.0 -81.8 -7.2 3.8 44.4 67.3 90 90 A L E < -D 248 0D 7 -3,-1.8 2,-0.4 158,-0.2 158,-0.2 -0.665 44.2-176.9 -95.3 132.3 4.9 41.5 65.1 91 91 A I E -D 247 0D 8 156,-2.2 156,-2.1 -2,-0.4 2,-0.2 -0.984 24.5-128.6-118.4 132.0 7.3 38.7 66.1 92 92 A Y E +D 246 0D 16 -2,-0.4 154,-0.2 154,-0.2 175,-0.1 -0.557 29.7 174.5 -68.8 142.1 8.4 36.0 63.6 93 93 A S E -D 245 0D 0 152,-2.0 152,-1.5 -2,-0.2 3,-0.1 -0.989 38.4-131.9-142.4 146.4 8.1 32.3 64.7 94 94 A P S S- 0 0 18 0, 0.0 150,-0.4 0, 0.0 2,-0.3 0.698 92.3 -1.8 -66.4 -20.6 8.7 29.2 62.6 95 95 A G > - 0 0 17 148,-0.2 4,-1.6 1,-0.1 150,-0.1 -0.994 68.2-110.9-161.1 164.0 5.3 28.0 64.0 96 96 A V H > S+ 0 0 13 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.938 113.3 50.4 -66.3 -48.0 2.4 28.7 66.2 97 97 A I H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.927 106.4 54.5 -67.0 -36.4 3.1 26.0 68.8 98 98 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.932 110.8 47.4 -55.5 -45.4 6.7 27.1 69.2 99 99 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.928 113.0 47.7 -59.2 -50.6 5.5 30.7 69.9 100 100 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 110.0 53.4 -59.6 -39.7 2.8 29.4 72.4 101 101 A S H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.935 111.5 44.3 -63.7 -44.5 5.3 27.2 74.1 102 102 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.910 112.0 53.8 -66.1 -43.7 7.8 30.2 74.7 103 103 A L H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.903 108.4 50.4 -55.0 -43.8 4.8 32.4 75.8 104 104 A I H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.935 111.0 47.7 -63.2 -49.3 3.8 29.8 78.4 105 105 A N H < S+ 0 0 54 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.900 119.6 38.9 -56.9 -39.4 7.3 29.5 79.8 106 106 A E H < S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.787 118.4 44.6 -85.7 -30.0 7.7 33.4 80.0 107 107 A L H < S+ 0 0 48 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.549 118.0 33.5 -93.4 -8.8 4.2 34.4 81.2 108 108 A T S < S- 0 0 14 -4,-1.2 2,-0.3 -5,-0.2 3,-0.1 -0.844 71.5-125.7-140.3 168.0 3.8 31.7 83.8 109 109 A K > - 0 0 130 -2,-0.3 3,-2.2 1,-0.1 -3,-0.1 -0.783 52.9 -63.6-112.6 163.6 5.8 29.7 86.4 110 110 A A T 3 S+ 0 0 54 -2,-0.3 23,-0.2 1,-0.3 -1,-0.1 -0.110 121.8 12.1 -44.3 136.2 6.0 26.0 86.9 111 111 A N T 3 S+ 0 0 116 21,-3.3 -1,-0.3 1,-0.2 22,-0.2 0.433 88.2 144.8 64.4 7.8 2.6 24.3 87.8 112 112 A D < - 0 0 19 -3,-2.2 22,-2.7 20,-0.2 2,-0.3 -0.421 55.1-106.7 -65.3 150.1 0.6 27.5 87.0 113 113 A K E -ef 134 162D 60 48,-0.6 50,-2.9 20,-0.2 51,-0.9 -0.659 35.1-175.3 -87.6 136.8 -2.9 26.7 85.6 114 114 A I E -ef 135 164D 0 20,-2.1 22,-3.1 -2,-0.3 2,-0.4 -0.998 15.5-142.0-133.9 132.2 -3.6 27.3 81.9 115 115 A M E +ef 136 165D 0 49,-2.5 51,-3.0 -2,-0.4 2,-0.3 -0.777 21.6 170.6-106.2 135.8 -7.1 26.7 80.5 116 116 A I E -e 137 0D 0 20,-2.2 22,-2.7 -2,-0.4 2,-0.5 -0.865 29.4-124.4-129.6 166.0 -8.1 25.2 77.1 117 117 A Q - 0 0 2 49,-0.5 51,-0.1 -2,-0.3 20,-0.1 -0.965 41.0-116.0-114.7 116.3 -11.5 24.1 75.6 118 118 A E S S+ 0 0 5 -2,-0.5 22,-2.7 1,-0.1 240,-0.1 -0.696 89.3 52.3 -99.8 153.7 -11.8 20.5 74.3 119 119 A P S S+ 0 0 2 0, 0.0 55,-0.4 0, 0.0 2,-0.3 0.391 90.3 135.3 -74.3 140.5 -12.2 18.9 72.0 120 120 A V - 0 0 1 237,-2.1 5,-0.2 -2,-0.1 -2,-0.1 -0.982 64.5 -55.8-153.0 158.3 -9.3 20.9 70.4 121 121 A Y > - 0 0 53 51,-1.8 3,-1.8 -2,-0.3 4,-0.4 -0.011 57.7-128.0 -28.9 119.5 -6.1 20.6 68.4 122 122 A S T >> S+ 0 0 53 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.765 100.5 69.0 -68.2 -27.8 -4.1 18.2 70.5 123 123 A P H 3> S+ 0 0 23 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.752 88.5 68.9 -61.1 -20.1 -0.9 20.3 70.8 124 124 A F H <> S+ 0 0 2 -3,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.882 105.6 40.3 -57.4 -42.9 -2.9 22.7 73.0 125 125 A N H <> S+ 0 0 33 -3,-1.1 4,-1.8 -4,-0.4 3,-0.4 0.947 118.8 44.4 -69.7 -54.4 -3.0 20.0 75.6 126 126 A S H X S+ 0 0 46 -4,-1.8 4,-3.2 1,-0.2 5,-0.2 0.831 105.3 60.5 -66.8 -33.3 0.6 18.7 75.2 127 127 A V H X S+ 0 0 3 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.894 107.9 46.2 -65.8 -30.2 2.2 22.2 75.1 128 128 A V H <>S+ 0 0 0 -4,-0.8 5,-2.2 -3,-0.4 3,-0.5 0.958 117.5 42.5 -72.6 -46.1 0.9 22.9 78.6 129 129 A K H ><5S+ 0 0 111 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.863 109.5 55.8 -66.3 -41.5 2.0 19.6 80.0 130 130 A N H 3<5S+ 0 0 64 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.675 107.3 52.3 -74.1 -13.8 5.4 19.5 78.2 131 131 A N T 3<5S- 0 0 4 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.244 117.2-114.7 -96.1 11.2 6.1 22.9 79.9 132 132 A N T < 5S+ 0 0 115 -3,-2.0 -21,-3.3 1,-0.3 2,-0.3 0.844 71.8 134.0 55.4 41.2 5.2 21.5 83.4 133 133 A R < - 0 0 26 -5,-2.2 2,-0.6 -23,-0.2 -1,-0.3 -0.749 63.3-103.1-106.2 165.5 2.2 23.7 83.8 134 134 A E E -e 113 0D 88 -22,-2.7 -20,-2.1 -2,-0.3 2,-0.4 -0.808 31.2-139.4 -95.6 121.7 -1.2 22.4 85.0 135 135 A L E -e 114 0D 24 -2,-0.6 2,-0.5 -22,-0.2 -20,-0.2 -0.672 15.9-170.5 -85.6 125.3 -3.8 21.9 82.3 136 136 A I E -e 115 0D 25 -22,-3.1 -20,-2.2 -2,-0.4 2,-0.5 -0.960 10.1-157.5-112.8 128.8 -7.4 23.0 83.1 137 137 A I E -e 116 0D 34 -2,-0.5 -20,-0.2 -22,-0.2 -22,-0.1 -0.966 15.0-173.5-113.8 124.0 -10.0 21.9 80.5 138 138 A S - 0 0 0 -22,-2.7 13,-0.2 -2,-0.5 17,-0.1 -0.927 29.0-140.4-104.9 95.5 -13.3 23.6 80.1 139 139 A P - 0 0 32 0, 0.0 12,-0.2 0, 0.0 15,-0.1 -0.251 17.2-109.8 -61.8 142.2 -15.0 21.3 77.6 140 140 A L - 0 0 14 -22,-2.7 2,-0.6 219,-0.2 10,-0.2 -0.366 36.3-114.1 -55.0 151.0 -17.1 23.0 74.9 141 141 A Q E -J 149 0E 85 8,-2.9 8,-2.4 -3,-0.1 2,-0.7 -0.865 19.6-149.9 -92.2 122.1 -20.9 22.3 75.4 142 142 A K E -J 148 0E 83 -2,-0.6 6,-0.2 6,-0.2 5,-0.1 -0.863 22.9-142.3 -86.9 114.3 -22.4 20.2 72.6 143 143 A L > - 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0 0 66 -5,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 -0.807 57.6-116.5-101.6 144.7 44.5 53.1 68.0 724 335 B S > - 0 0 57 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.244 34.4-105.7 -65.6 162.6 41.8 52.2 70.5 725 336 B D H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 124.4 51.7 -59.0 -40.8 39.2 49.6 69.5 726 337 B E H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 110.1 47.4 -60.4 -44.8 36.7 52.5 69.1 727 338 B E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.879 112.8 49.3 -65.6 -41.8 39.1 54.5 66.9 728 339 B L H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.953 110.0 49.4 -65.0 -47.0 39.8 51.5 64.7 729 340 B E H X S+ 0 0 41 -4,-2.6 4,-2.0 -5,-0.2 5,-0.3 0.951 112.4 51.5 -56.1 -47.5 36.1 50.6 64.3 730 341 B S H X S+ 0 0 48 -4,-2.4 4,-2.9 -5,-0.2 5,-0.4 0.909 110.6 44.7 -57.6 -48.2 35.5 54.3 63.3 731 342 B I H X>S+ 0 0 41 -4,-2.5 5,-2.5 1,-0.2 4,-1.6 0.861 111.5 53.8 -69.9 -33.6 38.3 54.6 60.7 732 343 B L H <>S+ 0 0 4 -4,-2.3 6,-1.9 -5,-0.2 5,-0.8 0.936 119.1 33.4 -63.8 -43.3 37.3 51.3 59.1 733 344 B V H <5S+ 0 0 21 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.935 128.2 36.1 -75.8 -47.1 33.7 52.3 58.7 734 345 B Q H <5S+ 0 0 141 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.882 133.3 19.4 -80.1 -45.8 34.2 56.1 58.0 735 346 B K T <5S+ 0 0 72 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.875 134.0 36.3 -94.9 -48.0 37.4 56.2 56.0 736 347 B G T -B 754 0N 29 -2,-0.6 3,-1.5 12,-0.2 4,-0.3 -0.388 13.0-134.6 -59.2 130.1 35.3 43.8 65.6 743 354 B G G > S+ 0 0 1 10,-2.5 3,-2.0 1,-0.3 8,-0.2 0.840 101.1 63.2 -52.0 -42.0 37.7 41.7 67.6 744 355 B N G > S+ 0 0 86 9,-0.4 3,-1.5 6,-0.3 -1,-0.3 0.727 87.6 71.6 -65.2 -18.2 36.3 42.8 70.9 745 356 B S G < S+ 0 0 54 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.688 91.4 60.2 -63.1 -21.6 32.9 41.2 70.1 746 357 B F G < S- 0 0 4 -3,-2.0 -237,-2.2 1,-0.3 -1,-0.2 0.410 108.8-130.8 -89.1 1.9 34.6 37.8 70.5 747 358 B G X + 0 0 23 -3,-1.5 3,-2.2 -239,-0.2 4,-0.3 -0.588 64.7 24.4 86.1-153.1 35.4 38.6 74.1 748 359 B I T 3 S+ 0 0 89 1,-0.3 -219,-0.2 -2,-0.2 -3,-0.0 -0.336 127.1 20.0 -53.8 133.1 38.7 38.3 76.0 749 360 B G T 3 S+ 0 0 45 -221,-0.1 -1,-0.3 -241,-0.1 -5,-0.1 0.361 97.8 99.1 87.2 -2.2 41.7 38.4 73.7 750 361 B G X + 0 0 0 -3,-2.2 3,-2.1 -6,-0.2 -6,-0.3 0.659 46.9 117.5 -86.7 -19.7 39.8 40.1 70.9 751 362 B S T 3 S+ 0 0 81 -4,-0.3 -32,-0.1 1,-0.3 3,-0.1 -0.213 81.7 15.3 -55.3 133.4 40.9 43.7 71.5 752 363 B G T 3 S+ 0 0 8 1,-0.3 -34,-3.3 -34,-0.1 -33,-0.4 0.291 107.1 104.3 89.4 -11.7 43.0 45.1 68.6 753 364 B Y E < -A 717 0N 19 -3,-2.1 -10,-2.5 -36,-0.2 -9,-0.4 -0.626 48.9-164.5 -99.5 162.0 41.8 42.4 66.2 754 365 B Q E -AB 716 742N 7 -38,-1.8 -38,-2.9 -12,-0.2 2,-0.5 -0.980 15.9-136.0-137.2 147.7 39.3 42.3 63.3 755 366 B R E -AB 715 741N 8 -14,-2.6 -14,-2.3 -2,-0.3 2,-0.4 -0.893 18.3-164.2-107.7 131.5 37.9 39.3 61.5 756 367 B I E -A 714 0N 2 -42,-2.8 -42,-2.9 -2,-0.5 2,-0.6 -0.924 15.6-134.5-120.9 128.6 37.6 39.3 57.8 757 368 B N E -A 713 0N 0 -334,-2.0 -44,-0.2 -2,-0.4 -332,-0.1 -0.781 19.1-177.7 -87.8 115.5 35.5 36.9 55.6 758 369 B L + 0 0 2 -46,-2.8 2,-1.8 -2,-0.6 -45,-0.1 0.271 52.3 105.3 -96.5 8.4 37.5 35.6 52.7 759 370 B A + 0 0 0 -47,-0.3 -330,-2.6 -332,-0.2 -1,-0.1 -0.508 63.9 92.0 -90.0 71.7 34.7 33.5 51.1 760 371 B C S S- 0 0 0 -2,-1.8 -330,-0.1 -332,-0.2 -363,-0.1 -0.948 88.2 -70.0-154.5 160.5 34.2 36.0 48.3 761 372 B P >> - 0 0 4 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.299 46.9-114.1 -57.8 146.8 35.5 36.5 44.7 762 373 B R H 3> S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.852 115.8 57.3 -40.9 -48.0 39.1 37.5 44.5 763 374 B S H 3> S+ 0 0 66 -368,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 107.7 46.7 -61.8 -36.0 38.1 40.9 43.0 764 375 B M H <> S+ 0 0 22 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.909 111.0 52.4 -71.5 -39.7 36.0 41.7 46.1 765 376 B L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.918 108.3 50.7 -60.6 -45.4 38.7 40.6 48.4 766 377 B E H X S+ 0 0 87 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.910 110.1 50.0 -58.0 -42.6 41.2 42.9 46.6 767 378 B E H X S+ 0 0 103 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.890 109.5 52.1 -61.7 -42.9 38.8 45.8 47.0 768 379 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.918 109.7 47.8 -58.7 -46.7 38.4 45.0 50.6 769 380 B L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.884 110.2 52.6 -65.6 -38.3 42.1 45.0 51.2 770 381 B I H X S+ 0 0 78 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.893 109.6 49.2 -61.6 -39.2 42.5 48.3 49.4 771 382 B R H X S+ 0 0 81 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.883 110.5 49.3 -66.9 -40.1 39.8 49.9 51.5 772 383 B I H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.933 110.1 52.6 -63.7 -46.5 41.5 48.6 54.8 773 384 B K H X S+ 0 0 67 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.928 110.8 47.5 -52.5 -46.0 44.8 50.1 53.4 774 385 B N H >< S+ 0 0 74 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.911 108.2 55.8 -63.3 -43.2 43.0 53.4 52.9 775 386 B A H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 112.5 40.1 -54.3 -41.6 41.5 53.3 56.4 776 387 B I H 3< 0 0 33 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.437 360.0 360.0 -98.8 -0.5 44.8 52.9 58.2 777 388 B N << 0 0 146 -3,-0.8 -3,-0.1 -4,-0.7 -4,-0.0 0.191 360.0 360.0-117.7 360.0 46.8 55.4 56.0