==== 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 09-DEC-09 3L0G . COMPND 2 MOLECULE: NICOTINATE-NUCLEOTIDE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1093 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 785 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 9.0 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 . 64 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 367 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 2 5 4 1 5 7 8 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 10 5 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 PARALLEL BRIDGES PER LADDER . 0 4 0 0 6 2 4 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 4 0 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 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 3 A I 0 0 125 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.1 15.5 61.9 8.3 2 4 A S + 0 0 93 1,-0.1 4,-0.2 288,-0.1 134,-0.1 -0.694 360.0 173.8 -89.3 134.3 15.6 64.8 5.8 3 5 A F > + 0 0 12 -2,-0.4 4,-2.2 2,-0.1 5,-0.2 0.196 53.0 105.3-112.8 10.7 16.1 64.0 2.1 4 6 A S H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.906 79.4 44.2 -63.8 -44.7 15.6 67.6 1.0 5 7 A E H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 113.1 50.1 -66.8 -47.8 19.2 68.5 0.2 6 8 A I H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 111.6 50.5 -59.8 -37.2 20.0 65.2 -1.7 7 9 A I H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.952 110.3 50.2 -61.3 -48.2 16.8 65.8 -3.8 8 10 A H H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.877 110.5 48.2 -57.8 -41.0 18.0 69.3 -4.5 9 11 A N H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.878 112.0 49.1 -74.9 -35.8 21.4 68.2 -5.6 10 12 A A H X S+ 0 0 2 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.886 113.7 46.0 -65.9 -43.5 20.1 65.5 -7.9 11 13 A L H X S+ 0 0 21 -4,-2.6 4,-2.5 -5,-0.2 5,-0.4 0.934 113.3 51.2 -62.8 -46.7 17.6 67.8 -9.6 12 14 A K H X S+ 0 0 52 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.919 108.1 49.5 -57.0 -50.3 20.3 70.5 -9.9 13 15 A E H < S+ 0 0 33 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 120.2 37.9 -63.9 -27.1 22.8 68.1 -11.6 14 16 A D H < S+ 0 0 0 -4,-1.2 689,-2.3 -3,-0.3 690,-0.3 0.731 129.2 26.4 -95.4 -27.8 20.2 66.9 -14.1 15 17 A L H X S+ 0 0 32 -4,-2.5 4,-2.1 687,-0.1 -3,-0.2 0.568 78.2 168.9-113.9 -17.0 18.2 70.1 -14.9 16 18 A G T < - 0 0 41 -4,-2.1 -1,-0.1 -5,-0.4 -2,-0.1 0.009 64.7 -45.4 42.0-132.3 20.6 72.9 -14.2 17 19 A D T 4 S+ 0 0 124 2,-0.1 -1,-0.2 1,-0.1 260,-0.1 0.773 136.0 52.7 -99.9 -39.6 19.5 76.4 -15.4 18 20 A K T 4 S- 0 0 67 1,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.627 93.2-151.7 -75.2 -14.6 18.2 75.6 -18.9 19 21 A G < - 0 0 18 -4,-2.1 2,-1.1 1,-0.1 -1,-0.2 -0.274 50.2 -23.8 68.5-162.5 15.8 72.8 -17.8 20 22 A D > - 0 0 5 1,-0.2 4,-2.6 67,-0.1 5,-0.3 -0.673 59.3-174.7 -89.6 94.9 14.8 69.8 -19.9 21 23 A I H > S+ 0 0 30 682,-1.5 4,-0.7 -2,-1.1 -1,-0.2 0.770 80.2 51.8 -68.7 -25.4 15.2 71.1 -23.5 22 24 A T H >> S+ 0 0 0 681,-0.5 4,-0.7 684,-0.3 3,-0.6 0.972 114.3 40.9 -71.6 -52.8 13.8 68.0 -25.1 23 25 A T H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-1.2 0.923 115.2 50.8 -62.7 -47.9 10.6 67.9 -23.1 24 26 A N H 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.691 110.1 51.7 -65.0 -20.0 10.0 71.7 -23.2 25 27 A S H << S+ 0 0 12 -4,-0.7 705,-0.3 -3,-0.6 -1,-0.3 0.550 119.4 32.4 -92.5 -11.3 10.5 71.6 -27.0 26 28 A I H << S+ 0 0 3 -3,-1.2 2,-0.3 -4,-0.7 -2,-0.2 0.727 112.0 51.2-112.9 -32.1 7.9 68.8 -27.6 27 29 A L < + 0 0 2 -4,-2.4 -1,-0.1 -5,-0.2 690,-0.1 -0.754 38.6 155.9-120.2 153.6 5.1 69.1 -25.0 28 30 A I S S- 0 0 115 -2,-0.3 59,-0.3 -3,-0.1 -1,-0.1 0.414 80.1 -4.9-133.1 -79.6 2.8 71.7 -23.6 29 31 A N S S+ 0 0 126 57,-0.1 -2,-0.0 56,-0.1 2,-0.0 0.311 83.8 136.9-109.8 7.4 -0.5 70.8 -21.9 30 32 A E - 0 0 45 55,-0.1 56,-2.6 1,-0.0 57,-0.4 -0.340 39.6-154.4 -56.3 131.7 -0.6 67.0 -22.6 31 33 A K E -A 85 0A 122 54,-0.2 2,-0.3 55,-0.1 54,-0.2 -0.887 11.9-166.2-110.5 141.0 -1.7 65.0 -19.5 32 34 A V E -A 84 0A 4 52,-2.7 52,-2.2 -2,-0.4 2,-0.4 -0.950 22.1-131.2-130.5 145.5 -0.6 61.4 -19.0 33 35 A N E -A 83 0A 95 239,-2.2 239,-2.3 -2,-0.3 2,-0.3 -0.802 39.1-173.7 -84.8 139.3 -1.5 58.5 -16.8 34 36 A F E -AB 82 271A 7 48,-2.7 48,-2.4 -2,-0.4 2,-0.3 -0.952 21.6-167.7-137.7 160.2 1.7 57.0 -15.3 35 37 A A E -AB 81 270A 16 235,-2.0 235,-3.0 -2,-0.3 2,-0.8 -0.986 19.3-143.2-144.6 133.5 2.9 54.0 -13.2 36 38 A I E -AB 80 269A 4 44,-2.7 43,-3.3 -2,-0.3 44,-0.9 -0.912 38.9-172.7 -92.6 103.7 6.3 53.5 -11.4 37 39 A N E -AB 78 268A 23 231,-2.4 231,-2.4 -2,-0.8 2,-0.2 -0.880 23.9-124.7-113.3 136.6 6.6 49.7 -12.0 38 40 A T E - B 0 267A 0 39,-2.8 38,-1.6 -2,-0.4 39,-0.2 -0.557 10.2-164.8 -72.8 136.0 9.0 47.1 -10.8 39 41 A R S S+ 0 0 80 227,-2.9 2,-0.3 -2,-0.2 36,-0.2 0.301 76.3 16.9 -95.6 3.2 10.9 45.1 -13.4 40 42 A E S S- 0 0 63 226,-0.4 37,-0.2 34,-0.2 2,-0.1 -0.975 96.5 -69.3-162.4 169.0 12.0 42.6 -10.7 41 43 A N + 0 0 107 -2,-0.3 2,-0.3 34,-0.1 33,-0.2 -0.391 65.4 149.3 -61.3 139.4 11.4 41.3 -7.2 42 44 A L E -D 73 0B 9 31,-2.6 31,-3.3 -2,-0.1 2,-0.6 -0.997 54.4-107.6-163.4 165.5 12.4 43.7 -4.5 43 45 A V E -D 72 0B 7 61,-0.4 65,-0.4 -2,-0.3 29,-0.2 -0.920 50.7-123.8 -89.8 119.0 12.1 45.4 -1.1 44 46 A V + 0 0 1 27,-2.8 26,-2.9 -2,-0.6 2,-0.3 -0.435 42.3 160.7 -69.8 135.4 10.6 48.8 -1.8 45 47 A C + 0 0 1 55,-0.3 59,-0.5 24,-0.2 58,-0.2 -0.980 47.2 42.5-156.5 140.9 12.6 51.7 -0.6 46 48 A G >> + 0 0 0 -2,-0.3 4,-1.6 57,-0.2 3,-1.2 0.370 62.3 130.4 104.5 -0.4 12.8 55.5 -1.4 47 49 A I H 3> S+ 0 0 3 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.886 70.7 58.7 -53.8 -41.4 9.0 56.1 -1.6 48 50 A P H 3> S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.825 103.8 52.5 -60.6 -26.0 9.3 59.1 0.8 49 51 A I H <> S+ 0 0 0 -3,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.942 109.4 48.3 -69.2 -48.5 11.7 60.7 -1.8 50 52 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.928 112.0 50.5 -54.8 -47.1 9.2 60.2 -4.6 51 53 A E H X S+ 0 0 68 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.927 110.5 48.2 -59.1 -45.3 6.5 61.7 -2.4 52 54 A E H X S+ 0 0 65 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.929 113.2 47.9 -66.8 -40.5 8.6 64.8 -1.5 53 55 A V H >X S+ 0 0 1 -4,-2.7 3,-1.4 1,-0.2 4,-0.7 0.959 114.5 44.9 -60.5 -51.6 9.5 65.4 -5.2 54 56 A F H >< S+ 0 0 1 -4,-2.7 3,-0.9 1,-0.3 7,-0.2 0.865 106.4 61.0 -61.9 -37.8 5.9 65.1 -6.4 55 57 A N H >< S+ 0 0 69 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.3 0.623 93.7 64.5 -66.8 -13.4 4.7 67.3 -3.5 56 58 A M H << S+ 0 0 113 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.879 110.4 38.0 -67.0 -37.8 6.9 70.1 -4.9 57 59 A N T XX S+ 0 0 33 -3,-0.9 3,-1.6 -4,-0.7 4,-1.2 -0.420 74.4 150.0-107.9 49.2 4.6 70.1 -8.1 58 60 A K T <4 S+ 0 0 153 -3,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.843 71.0 53.1 -58.7 -37.2 1.2 69.4 -6.4 59 61 A E T 34 S+ 0 0 94 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.709 116.3 40.1 -64.4 -23.2 -0.8 71.3 -9.0 60 62 A H T <4 S+ 0 0 53 -3,-1.6 25,-2.4 -6,-0.2 2,-0.4 0.521 113.0 48.9-110.5 -7.7 0.7 69.3 -11.8 61 63 A V E < -C 84 0A 10 -4,-1.2 2,-0.4 -3,-0.3 23,-0.2 -0.991 52.8-174.6-137.7 127.5 0.9 65.7 -10.4 62 64 A K E +C 83 0A 60 21,-3.0 21,-2.2 -2,-0.4 2,-0.3 -0.977 22.7 174.2-116.7 135.1 -1.8 63.6 -8.7 63 65 A Y E -C 82 0A 65 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.967 28.6-147.9-146.1 156.9 -0.7 60.2 -7.3 64 66 A E E -C 81 0A 115 17,-2.9 17,-1.7 -2,-0.3 2,-0.6 -0.989 19.8-137.6-123.6 131.7 -1.6 57.1 -5.3 65 67 A I E +C 80 0A 59 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.803 26.2 169.2 -90.2 119.3 0.8 55.1 -3.2 66 68 A H + 0 0 75 13,-2.6 2,-0.4 -2,-0.6 14,-0.2 0.663 69.2 32.1 -98.0 -24.6 0.3 51.3 -3.6 67 69 A K - 0 0 65 12,-1.5 -1,-0.3 10,-0.0 2,-0.2 -0.998 68.3-155.8-138.1 139.1 3.5 50.2 -1.8 68 70 A K > - 0 0 131 -2,-0.4 3,-2.2 1,-0.1 -24,-0.3 -0.693 43.4 -71.4-107.2 162.6 5.4 51.7 1.1 69 71 A D T 3 S+ 0 0 23 1,-0.3 -24,-0.2 -2,-0.2 -1,-0.1 -0.259 120.7 29.6 -54.4 130.6 9.1 51.3 2.1 70 72 A G T 3 S+ 0 0 34 -26,-2.9 -1,-0.3 1,-0.4 2,-0.2 0.200 84.7 132.3 99.0 -13.2 9.8 47.8 3.5 71 73 A D < - 0 0 32 -3,-2.2 -27,-2.8 -27,-0.2 2,-0.6 -0.507 52.8-139.6 -70.5 136.0 7.1 46.1 1.4 72 74 A I E +D 43 0B 121 -29,-0.2 2,-0.3 -2,-0.2 -29,-0.2 -0.874 33.4 175.6 -96.5 123.3 8.4 43.0 -0.3 73 75 A T E -D 42 0B 16 -31,-3.3 -31,-2.6 -2,-0.6 2,-0.1 -0.922 23.5-119.0-135.0 163.5 7.0 42.8 -3.8 74 76 A G - 0 0 30 -2,-0.3 3,-0.5 -33,-0.2 -34,-0.2 -0.375 44.6 -72.0 -92.5 169.0 7.1 40.9 -7.0 75 77 A K S S+ 0 0 131 1,-0.2 -36,-0.2 -36,-0.2 -1,-0.2 -0.241 116.6 26.6 -49.2 144.8 8.1 41.6 -10.6 76 78 A N S S+ 0 0 128 -38,-1.6 2,-0.4 1,-0.2 -1,-0.2 0.877 84.8 147.5 61.1 47.1 5.5 43.8 -12.5 77 79 A S - 0 0 18 -3,-0.5 -39,-2.8 -39,-0.2 2,-0.6 -0.925 47.0-132.2-116.3 129.1 4.2 45.5 -9.4 78 80 A T E -A 37 0A 53 -2,-0.4 -41,-0.2 -41,-0.2 3,-0.1 -0.748 22.8-179.7 -79.9 116.0 3.0 49.1 -9.5 79 81 A L E S+ 0 0 1 -43,-3.3 -13,-2.6 -2,-0.6 -12,-1.5 0.844 71.5 1.9 -83.9 -41.3 4.5 51.1 -6.6 80 82 A V E +AC 36 65A 0 -44,-0.9 -44,-2.7 -15,-0.2 -1,-0.4 -0.991 68.4 179.8-144.4 142.8 2.8 54.4 -7.4 81 83 A S E +AC 35 64A 28 -17,-1.7 -17,-2.9 -2,-0.3 2,-0.3 -0.936 19.1 108.7-137.0 167.9 0.4 55.5 -10.1 82 84 A G E -AC 34 63A 21 -48,-2.4 -48,-2.7 -2,-0.3 2,-0.3 -0.992 54.2 -68.6 166.1-153.0 -1.4 58.6 -11.2 83 85 A E E +AC 33 62A 88 -21,-2.2 -21,-3.0 -2,-0.3 2,-0.3 -0.986 42.6 166.1-136.1 142.4 -1.9 61.4 -13.6 84 86 A A E -AC 32 61A 0 -52,-2.2 -52,-2.7 -2,-0.3 2,-0.5 -0.973 45.9 -96.4-151.1 160.6 0.5 64.3 -14.3 85 87 A L E >> -A 31 0A 27 -25,-2.4 4,-1.7 -2,-0.3 3,-1.5 -0.759 40.6-136.4 -75.3 124.8 1.1 67.2 -16.8 86 88 A A H 3> S+ 0 0 0 -56,-2.6 4,-2.5 -2,-0.5 -1,-0.1 0.870 99.8 61.8 -56.6 -38.5 3.8 65.5 -19.0 87 89 A I H 34 S+ 0 0 39 -57,-0.4 -1,-0.3 -59,-0.3 -67,-0.1 0.700 111.8 38.8 -64.2 -22.6 6.0 68.7 -19.1 88 90 A Y H <4 S+ 0 0 98 -3,-1.5 4,-0.3 -28,-0.2 -1,-0.2 0.729 118.5 47.4 -94.8 -27.1 6.4 68.5 -15.2 89 91 A L H >X S+ 0 0 2 -4,-1.7 3,-1.3 2,-0.1 4,-0.6 0.931 103.9 55.2 -82.2 -49.6 6.7 64.6 -15.0 90 92 A L G >< S+ 0 0 11 -4,-2.5 3,-0.8 1,-0.2 4,-0.5 0.836 101.5 57.9 -59.4 -36.2 9.2 63.7 -17.7 91 93 A P G 34 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.690 113.5 38.8 -67.4 -18.5 12.0 66.1 -16.4 92 94 A I G <> S+ 0 0 11 -3,-1.3 4,-2.6 -4,-0.3 5,-0.2 0.366 88.8 97.5-109.4 -0.2 12.1 64.5 -12.9 93 95 A E H S+ 0 0 32 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.878 113.3 50.0 -70.5 -39.6 15.3 60.0 -14.1 95 97 A V H > S+ 0 0 6 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.932 114.5 44.7 -60.6 -46.5 16.0 61.6 -10.7 96 98 A I H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.934 115.2 47.7 -66.1 -44.9 13.0 59.8 -9.1 97 99 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.929 109.3 52.3 -62.8 -45.2 13.9 56.5 -10.7 98 100 A N H X S+ 0 0 8 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.879 110.2 50.3 -62.4 -34.9 17.6 56.6 -9.7 99 101 A F H X S+ 0 0 1 -4,-1.7 4,-2.5 -5,-0.2 5,-0.2 0.961 115.0 40.3 -68.2 -48.7 16.7 57.3 -6.1 100 102 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -55,-0.3 0.860 114.8 52.5 -73.6 -32.1 14.3 54.4 -5.7 101 103 A Q H X S+ 0 0 15 -4,-2.8 164,-1.7 -5,-0.2 4,-1.5 0.886 114.2 43.1 -65.5 -41.4 16.4 52.0 -7.7 102 104 A H H X S+ 0 0 6 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.946 118.0 44.4 -64.2 -51.8 19.5 52.8 -5.5 103 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -57,-0.2 0.915 114.3 48.9 -65.7 -42.3 17.5 52.7 -2.2 104 106 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 -59,-0.5 -61,-0.4 0.877 107.9 57.5 -65.7 -33.3 15.6 49.5 -3.3 105 107 A G H X S+ 0 0 1 -4,-1.5 4,-2.2 -5,-0.2 5,-0.3 0.964 110.1 42.0 -58.2 -53.9 18.9 48.0 -4.2 106 108 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.914 115.7 48.3 -62.4 -44.7 20.3 48.5 -0.7 107 109 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -64,-0.2 -1,-0.2 0.907 112.3 50.7 -63.9 -41.2 17.1 47.4 1.1 108 110 A S H X S+ 0 0 9 -4,-2.6 4,-1.8 -65,-0.4 -2,-0.2 0.929 113.2 42.0 -64.7 -49.2 16.8 44.2 -1.1 109 111 A I H X S+ 0 0 40 -4,-2.2 4,-1.6 -5,-0.2 5,-0.2 0.924 114.1 53.5 -67.0 -41.7 20.4 43.0 -0.6 110 112 A T H >X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 3,-0.6 0.952 108.0 50.6 -52.2 -54.1 20.3 43.9 3.2 111 113 A R H 3X S+ 0 0 74 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.837 104.1 58.6 -54.1 -37.6 17.1 41.8 3.5 112 114 A Q H 3X S+ 0 0 104 -4,-1.8 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20,-0.1 4,-1.5 1,-0.1 3,-0.2 -0.960 83.0-105.9-151.9 173.3 43.8 39.6 16.5 194 196 A I H > S+ 0 0 34 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.790 113.8 61.5 -75.7 -29.9 43.0 37.9 19.8 195 197 A S H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 106.3 47.8 -60.0 -41.1 45.7 39.8 21.7 196 198 A Q H > S+ 0 0 31 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.875 109.7 52.4 -65.3 -41.4 43.9 43.0 20.9 197 199 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.944 110.7 48.5 -56.5 -48.1 40.6 41.4 22.0 198 200 A E H X S+ 0 0 102 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.889 112.2 47.7 -60.1 -43.4 42.2 40.4 25.3 199 201 A E H X S+ 0 0 64 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.895 110.6 51.6 -67.0 -40.6 43.6 43.9 25.8 200 202 A S H <>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 3,-0.4 0.905 109.1 51.7 -64.5 -40.4 40.2 45.5 25.0 201 203 A L H ><5S+ 0 0 31 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.886 104.9 54.0 -60.5 -40.6 38.5 43.3 27.5 202 204 A S H 3<5S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.752 107.3 53.9 -69.4 -19.1 41.0 44.2 30.3 203 205 A N T 3<5S- 0 0 27 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.251 112.9-123.3 -92.4 11.0 40.1 47.8 29.6 204 206 A N T < 5 - 0 0 125 -3,-1.9 -3,-0.2 1,-0.1 -17,-0.2 0.859 42.4-179.0 52.0 43.8 36.4 47.1 30.0 205 207 A V < - 0 0 5 -5,-1.6 -17,-0.1 1,-0.1 3,-0.1 -0.251 29.2-135.6 -67.1 163.1 35.3 48.2 26.6 206 208 A D S S+ 0 0 63 -19,-1.6 24,-2.5 1,-0.3 2,-0.3 0.783 82.3 19.6 -89.2 -32.2 31.6 48.1 25.6 207 209 A M E -hi 188 230C 0 -20,-2.0 -18,-2.1 22,-0.2 2,-0.4 -1.000 58.9-161.9-147.4 139.2 31.9 46.7 22.1 208 210 A I E -hi 189 231C 0 22,-2.6 24,-2.9 -2,-0.3 2,-0.5 -0.981 7.8-156.7-124.8 129.9 34.6 44.8 20.1 209 211 A L E -hi 190 232C 6 -20,-2.8 -18,-3.2 -2,-0.4 2,-0.8 -0.946 10.3-146.0-108.8 126.2 34.6 44.5 16.4 210 212 A L E -hi 191 233C 0 22,-3.4 24,-2.4 -2,-0.5 2,-0.7 -0.861 14.5-153.6 -95.9 108.8 36.5 41.6 14.9 211 213 A D E - i 0 234C 51 -20,-2.6 24,-0.2 -2,-0.8 22,-0.0 -0.802 64.4 -31.2 -94.8 113.1 38.1 42.7 11.7 212 214 A N S S+ 0 0 103 22,-1.7 -1,-0.2 -2,-0.7 2,-0.2 0.774 86.0 157.1 47.1 49.9 38.6 39.9 9.1 213 215 A M - 0 0 16 21,-0.4 2,-0.2 -3,-0.2 -1,-0.1 -0.481 45.1-103.0 -91.0 162.3 39.3 37.0 11.5 214 216 A S > - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.507 36.4-105.5 -76.0 156.3 38.8 33.3 10.6 215 217 A I H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.870 123.2 54.1 -49.6 -38.6 35.7 31.5 11.9 216 218 A S H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 108.2 47.3 -71.3 -36.5 38.0 29.8 14.5 217 219 A E H > S+ 0 0 78 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.876 111.4 52.3 -66.3 -37.6 39.4 33.1 15.8 218 220 A I H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 109.5 48.8 -65.5 -42.3 35.9 34.5 16.0 219 221 A K H X S+ 0 0 125 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.932 110.2 51.5 -62.6 -44.8 34.8 31.5 18.0 220 222 A K H X S+ 0 0 103 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.887 110.1 49.7 -56.6 -39.2 37.8 31.9 20.3 221 223 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.886 108.1 51.9 -69.7 -41.7 36.8 35.6 20.8 222 224 A V H X S+ 0 0 38 -4,-2.3 4,-1.7 2,-0.2 5,-0.4 0.928 112.0 48.6 -55.1 -45.6 33.3 34.7 21.7 223 225 A D H < S+ 0 0 109 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.961 115.5 42.1 -60.0 -52.5 34.7 32.2 24.2 224 226 A I H < S+ 0 0 48 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.2 52.7 -65.6 -44.6 37.1 34.8 25.8 225 227 A V H >< S- 0 0 4 -4,-2.7 3,-2.4 -5,-0.2 -1,-0.2 0.859 82.5-170.9 -60.1 -40.1 34.7 37.7 25.9 226 228 A N T 3< - 0 0 111 -4,-1.7 -3,-0.1 1,-0.3 -4,-0.1 0.828 69.4 -53.8 52.1 43.2 32.1 35.5 27.7 227 229 A G T 3 S+ 0 0 74 -5,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.539 110.4 117.5 73.2 7.6 29.3 38.0 27.3 228 230 A K S < S+ 0 0 156 -3,-2.4 2,-0.3 1,-0.1 -2,-0.1 0.508 81.2 18.8 -86.1 -3.5 31.3 40.9 28.9 229 231 A S S S- 0 0 13 -4,-0.0 -22,-0.2 -21,-0.0 -2,-0.2 -0.978 88.4 -95.9-156.4 154.7 31.2 43.0 25.8 230 232 A V E -i 207 0C 34 -24,-2.5 -22,-2.6 -2,-0.3 2,-0.5 -0.539 40.2-146.3 -68.2 141.3 29.1 43.2 22.5 231 233 A L E +i 208 0C 6 -24,-0.2 20,-2.2 -2,-0.2 21,-1.6 -0.981 18.2 179.8-119.0 128.1 30.8 41.4 19.7 232 234 A E E -ij 209 252C 6 -24,-2.9 -22,-3.4 -2,-0.5 2,-0.4 -0.958 15.7-146.3-125.1 140.6 30.6 42.5 16.1 233 235 A V E +ij 210 253C 5 19,-1.9 21,-3.2 -2,-0.4 2,-0.3 -0.937 19.4 171.5-106.2 130.8 32.1 40.9 12.9 234 236 A S E +i 211 0C 15 -24,-2.4 -22,-1.7 -2,-0.4 -21,-0.4 -0.870 37.1 66.8-123.5 157.5 33.3 43.0 10.0 235 237 A G S S+ 0 0 36 19,-0.4 2,-2.2 -2,-0.3 21,-0.3 -0.964 92.1 5.4 136.3-149.6 35.3 41.6 6.9 236 238 A C S S+ 0 0 90 -2,-0.3 2,-0.6 -23,-0.1 19,-0.1 -0.515 74.3 164.2 -77.5 78.4 34.8 39.2 4.0 237 239 A V + 0 0 6 -2,-2.2 2,-0.3 17,-0.1 20,-0.2 -0.883 4.0 163.1-104.1 117.2 31.1 38.7 4.6 238 240 A N >> - 0 0 66 -2,-0.6 4,-1.8 1,-0.0 3,-1.1 -0.825 53.2 -99.5-126.2 171.7 29.1 37.2 1.7 239 241 A I T 34 S+ 0 0 66 -2,-0.3 4,-0.5 1,-0.3 -1,-0.0 0.820 118.8 58.5 -65.6 -28.3 25.8 35.5 1.6 240 242 A R T 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.693 118.5 27.3 -79.7 -18.6 27.3 32.0 1.6 241 243 A N T <> S+ 0 0 44 -3,-1.1 4,-2.1 2,-0.1 3,-0.2 0.538 91.3 92.9-114.3 -4.3 29.1 32.5 4.9 242 244 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.1 0.879 88.0 51.3 -61.6 -34.9 27.1 35.1 6.9 243 245 A R H > S+ 0 0 84 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.906 107.2 52.7 -68.4 -37.9 25.1 32.3 8.7 244 246 A N H 4 S+ 0 0 97 -3,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.947 111.7 47.1 -57.3 -48.5 28.2 30.4 9.8 245 247 A I H ><>S+ 0 0 14 -4,-2.1 3,-1.8 1,-0.2 5,-0.5 0.943 110.4 52.9 -57.1 -46.6 29.4 33.7 11.2 246 248 A A H ><5S+ 0 0 4 -4,-2.7 3,-1.1 1,-0.3 -125,-0.2 0.835 101.7 59.6 -61.1 -35.0 26.0 34.3 12.9 247 249 A L T 3<5S+ 0 0 110 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.581 85.0 80.3 -73.2 -7.3 26.1 30.9 14.5 248 250 A T T < 5S- 0 0 13 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.729 111.9-105.8 -69.4 -20.8 29.3 31.7 16.4 249 251 A G T < 5S+ 0 0 28 -3,-1.1 -18,-0.1 -4,-0.3 -2,-0.1 0.366 70.8 143.7 105.3 -0.0 27.4 33.7 19.1 250 252 A V < - 0 0 0 -5,-0.5 -1,-0.3 1,-0.1 -129,-0.2 -0.228 47.2-137.8 -63.9 162.1 28.4 37.2 18.0 251 253 A D S S+ 0 0 43 -20,-2.2 -128,-1.7 1,-0.2 2,-0.3 0.786 75.1 18.6 -93.2 -36.5 25.8 40.0 18.3 252 254 A Y E -ej 123 232C 55 -21,-1.6 -19,-1.9 -130,-0.2 2,-0.4 -0.961 52.7-156.8-139.5 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-0.793 63.1-100.2-116.6 161.1 25.3 46.1 -4.8 263 265 A Q - 0 0 117 -2,-0.3 -154,-0.2 -158,-0.2 543,-0.0 -0.734 29.4-133.7 -84.0 123.6 22.8 45.8 -7.7 264 266 A N - 0 0 21 -2,-0.5 2,-0.4 -159,-0.1 -162,-0.2 -0.326 30.3-113.0 -58.0 153.4 20.3 48.6 -8.3 265 267 A K - 0 0 38 -164,-1.7 2,-0.7 -165,-0.1 -160,-0.1 -0.776 25.1-114.7 -94.2 145.1 16.8 47.3 -8.8 266 268 A D + 0 0 80 -2,-0.4 -227,-2.9 -161,-0.0 -226,-0.4 -0.689 49.9 157.5 -84.6 110.5 15.3 47.7 -12.3 267 269 A I E -B 38 0A 3 -2,-0.7 2,-0.3 -229,-0.2 -229,-0.2 -0.984 15.6-172.1-129.8 143.0 12.3 50.1 -11.9 268 270 A G E -B 37 0A 7 -231,-2.4 -231,-2.4 -2,-0.3 2,-0.6 -0.883 27.6-120.0-137.4 165.5 10.7 52.2 -14.6 269 271 A L E -B 36 0A 5 -2,-0.3 2,-0.4 -233,-0.2 -233,-0.2 -0.945 30.9-167.1-106.9 111.6 8.1 54.9 -15.4 270 272 A D E -B 35 0A 57 -235,-3.0 -235,-2.0 -2,-0.6 2,-0.3 -0.861 6.6-162.6-104.0 137.0 5.4 53.6 -17.8 271 273 A I E B 34 0A 28 -2,-0.4 -237,-0.2 -237,-0.2 -239,-0.0 -0.849 360.0 360.0-119.1 147.1 3.1 56.1 -19.5 272 274 A E 0 0 87 -239,-2.3 -239,-2.2 -2,-0.3 444,-0.1 -0.994 360.0 360.0-123.1 360.0 -0.3 56.1 -21.4 273 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 274 3 B I 0 0 125 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.2 17.2 85.6 -15.3 275 4 B S + 0 0 65 1,-0.1 4,-0.2 2,-0.0 3,-0.1 -0.752 360.0 175.8 -93.7 134.4 17.2 82.7 -12.8 276 5 B F > + 0 0 12 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 0.281 51.7 105.3-108.2 8.3 17.8 83.3 -9.1 277 6 B S H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.848 78.6 47.6 -65.6 -36.4 17.2 79.8 -7.9 278 7 B E H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 112.8 46.8 -72.3 -46.4 20.9 78.9 -7.2 279 8 B I H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 112.0 53.0 -63.4 -33.9 21.8 82.0 -5.3 280 9 B I H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.935 110.6 46.9 -64.8 -47.1 18.5 81.6 -3.2 281 10 B H H X S+ 0 0 35 -4,-2.1 4,-3.2 -5,-0.2 -2,-0.2 0.942 112.4 49.0 -60.2 -46.3 19.5 78.0 -2.4 282 11 B N H X S+ 0 0 30 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.902 111.6 49.3 -64.8 -38.4 23.0 79.0 -1.4 283 12 B A H X S+ 0 0 2 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.903 113.8 46.4 -64.6 -41.1 21.7 81.9 0.8 284 13 B L H X S+ 0 0 19 -4,-2.6 4,-2.5 2,-0.2 3,-0.4 0.963 112.7 49.9 -64.7 -50.8 19.2 79.5 2.5 285 14 B K H X S+ 0 0 42 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.908 107.8 52.5 -54.6 -47.4 21.8 76.8 3.0 286 15 B E H < S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 119.9 34.9 -63.0 -29.9 24.4 79.2 4.6 287 16 B D H < S+ 0 0 0 -4,-1.3 690,-2.0 -3,-0.4 691,-0.3 0.745 128.9 31.3 -94.0 -27.3 21.9 80.4 7.1 288 17 B L H X S+ 0 0 34 -4,-2.5 4,-2.2 -5,-0.1 -3,-0.2 0.615 79.7 171.7-110.8 -20.8 19.8 77.3 7.8 289 18 B G T < - 0 0 35 -4,-2.5 -1,-0.1 -5,-0.4 -2,-0.1 0.027 62.1 -49.6 48.7-146.0 22.4 74.5 7.4 290 19 B D T 4 S+ 0 0 103 2,-0.1 -1,-0.2 1,-0.1 -288,-0.1 0.764 137.4 51.3 -93.2 -30.7 21.3 71.0 8.4 291 20 B K T 4 S- 0 0 114 1,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.669 94.7-152.0 -81.6 -17.6 19.9 71.8 11.9 292 21 B G < - 0 0 17 -4,-2.2 2,-1.2 1,-0.1 -1,-0.2 -0.270 50.3 -22.2 71.6-163.8 17.6 74.6 10.7 293 22 B D > - 0 0 4 1,-0.2 4,-2.4 -4,-0.1 5,-0.2 -0.619 59.5-175.2 -85.9 92.3 16.6 77.6 12.9 294 23 B I H > S+ 0 0 22 683,-1.3 4,-0.8 -2,-1.2 -1,-0.2 0.782 79.4 51.5 -67.2 -25.3 17.0 76.3 16.4 295 24 B T H >> S+ 0 0 0 682,-0.5 3,-0.9 685,-0.2 4,-0.7 0.982 113.7 41.1 -71.1 -59.4 15.6 79.4 18.1 296 25 B T H >> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 3,-1.2 0.916 116.4 50.6 -53.2 -47.2 12.4 79.6 16.1 297 26 B N H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.657 108.4 51.5 -70.9 -18.8 11.9 75.8 16.2 298 27 B S H << S+ 0 0 10 -3,-0.9 706,-0.3 -4,-0.8 -1,-0.3 0.487 121.6 31.6 -94.6 -6.4 12.3 75.6 20.0 299 28 B I H << S+ 0 0 2 -3,-1.2 2,-0.3 -4,-0.7 -2,-0.2 0.728 108.7 59.9-115.4 -41.9 9.8 78.4 20.6 300 29 B L < + 0 0 4 -4,-2.9 -1,-0.1 -5,-0.2 691,-0.0 -0.668 39.6 154.9-104.9 148.0 7.0 78.3 17.9 301 30 B I S S- 0 0 91 -2,-0.3 59,-0.3 -3,-0.1 -1,-0.1 0.375 77.4 -10.8-123.6 -88.3 4.5 75.7 16.9 302 31 B N S S+ 0 0 126 57,-0.1 -2,-0.1 56,-0.1 0, 0.0 0.324 83.6 137.8-108.2 6.8 1.2 76.7 15.2 303 32 B E - 0 0 39 55,-0.1 56,-2.4 1,-0.0 57,-0.5 -0.258 37.0-156.4 -56.2 134.0 1.2 80.5 15.7 304 33 B K E -K 358 0D 64 54,-0.2 2,-0.3 55,-0.1 54,-0.2 -0.905 12.8-170.6-111.2 144.8 0.0 82.5 12.6 305 34 B V E -K 357 0D 4 52,-2.3 52,-2.2 -2,-0.4 2,-0.4 -0.969 24.6-128.1-136.6 146.3 1.1 86.1 12.1 306 35 B N E -KL 356 545D 93 239,-0.6 239,-3.0 -2,-0.3 2,-0.3 -0.828 39.2-178.3 -84.7 137.8 0.3 89.0 9.9 307 36 B F E -KL 355 544D 7 48,-2.4 48,-2.2 -2,-0.4 2,-0.3 -0.905 19.9-163.4-137.0 165.3 3.4 90.5 8.5 308 37 B A E -KL 354 543D 16 235,-1.8 235,-2.9 -2,-0.3 2,-0.8 -0.976 19.5-139.9-150.5 134.0 4.6 93.3 6.3 309 38 B I E -KL 353 542D 4 44,-3.0 43,-3.1 -2,-0.3 44,-1.0 -0.868 38.9-173.9 -92.7 110.8 7.9 94.0 4.4 310 39 B N E -KL 351 541D 22 231,-2.4 231,-2.6 -2,-0.8 41,-0.2 -0.920 23.4-130.5-122.8 131.1 8.3 97.7 5.0 311 40 B T E - L 0 540D 0 39,-2.7 38,-1.6 -2,-0.4 39,-0.3 -0.544 8.5-162.7 -73.0 141.3 10.8 100.2 3.7 312 41 B R S S+ 0 0 72 227,-3.0 2,-0.3 -2,-0.2 36,-0.2 0.224 75.0 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