==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-OCT-09 3KHY . COMPND 2 MOLECULE: PROPIONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. . AUTHOR J.S.BRUNZELLE,T.SKARINA,S.SHARMA,Y.WANG,A.SAVCHENKO, . 768 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 12.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 52 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 2 4 4 0 0 7 3 1 1 0 6 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 . 4 2 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 X 0 0 162 0, 0.0 2,-0.0 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 -15.1 59.6 39.4 70.8 2 2 A S - 0 0 32 77,-0.1 20,-0.4 1,-0.0 2,-0.3 -0.281 360.0-147.9 -71.4 158.1 57.7 37.1 73.1 3 3 A E E -a 79 0A 5 75,-2.5 77,-2.8 17,-0.2 78,-0.8 -0.938 6.7-147.4-132.1 150.2 53.9 36.8 72.8 4 4 A I E -aB 81 19A 0 15,-2.9 15,-2.7 -2,-0.3 2,-0.6 -0.955 14.4-139.4-116.9 134.4 50.9 36.1 75.2 5 5 A L E -aB 82 18A 3 76,-2.2 78,-2.6 -2,-0.4 2,-0.5 -0.851 21.2-159.0 -92.5 121.1 47.8 34.2 74.1 6 6 A V E -aB 83 17A 6 11,-3.5 11,-1.7 -2,-0.6 2,-0.4 -0.888 12.7-174.4-108.6 126.7 44.8 35.9 75.6 7 7 A L E -aB 84 16A 2 76,-3.0 78,-2.7 -2,-0.5 2,-0.4 -0.925 29.0-173.0-125.3 144.3 41.5 34.0 76.0 8 8 A N E - B 0 15A 49 7,-2.4 7,-2.5 -2,-0.4 2,-0.8 -0.898 23.7-164.7-124.5 101.4 38.0 34.5 77.0 9 9 A C E + B 0 14A 1 -2,-0.4 5,-0.2 76,-0.4 115,-0.2 -0.787 11.9 178.6 -92.7 110.6 36.5 31.0 77.0 10 10 A G - 0 0 10 3,-3.2 3,-0.1 -2,-0.8 107,-0.1 -0.398 45.4 -91.5 -99.5-179.7 32.7 31.0 77.1 11 11 A S S S+ 0 0 94 105,-0.3 3,-0.1 1,-0.2 106,-0.1 0.849 123.2 8.5 -62.6 -37.5 30.2 28.1 77.1 12 12 A S S S+ 0 0 57 1,-0.1 23,-2.5 20,-0.1 2,-0.3 0.174 127.8 53.2-128.3 18.3 29.9 28.1 73.3 13 13 A S - 0 0 37 20,-0.2 -3,-3.2 21,-0.2 2,-0.4 -0.995 53.1-154.7-154.0 152.0 32.6 30.5 72.2 14 14 A V E -BC 9 32A 1 18,-1.6 18,-2.8 -2,-0.3 2,-0.5 -0.961 11.1-164.2-131.2 115.5 36.3 31.3 72.5 15 15 A K E +BC 8 31A 83 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.3 -0.843 22.0 179.8 -94.1 133.4 37.5 34.8 72.0 16 16 A F E +BC 7 30A 7 14,-2.3 14,-2.4 -2,-0.5 2,-0.3 -0.955 19.2 179.1-138.7 156.4 41.3 35.0 71.5 17 17 A A E -BC 6 29A 3 -11,-1.7 -11,-3.5 -2,-0.3 2,-0.6 -0.985 20.9-143.4-151.8 145.7 44.2 37.4 70.8 18 18 A L E -BC 5 28A 2 10,-2.9 9,-2.9 -2,-0.3 10,-1.0 -0.951 33.0-179.1-110.2 115.9 47.9 37.1 70.3 19 19 A I E -BC 4 26A 3 -15,-2.7 -15,-2.9 -2,-0.6 7,-0.2 -0.919 31.3-142.9-126.5 138.9 49.6 40.0 71.9 20 20 A N E >> - C 0 25A 12 5,-2.6 4,-2.1 -2,-0.4 5,-0.7 -0.899 16.0-161.9 -96.9 108.9 53.2 41.3 72.3 21 21 A P T 45S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 0.730 85.9 52.0 -64.9 -24.4 53.3 42.8 75.8 22 22 A H T 45S+ 0 0 107 -20,-0.4 -19,-0.1 1,-0.2 -2,-0.0 0.838 121.1 29.0 -85.2 -34.8 56.5 44.8 75.1 23 23 A T T 45S- 0 0 73 -3,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.566 99.4-132.7 -97.6 -13.5 55.4 46.5 71.9 24 24 A S T <5 + 0 0 57 -4,-2.1 2,-0.4 1,-0.2 350,-0.1 0.574 55.6 147.7 73.1 11.2 51.7 46.5 72.9 25 25 A Q E < -C 20 0A 127 -5,-0.7 -5,-2.6 349,-0.0 2,-0.7 -0.631 46.9-142.8 -89.8 133.1 50.8 45.1 69.5 26 26 A S E -C 19 0A 64 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.831 19.9-179.4 -87.3 115.6 47.9 42.8 68.8 27 27 A L E + 0 0 57 -9,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.867 66.0 3.1 -86.3 -42.1 49.2 40.4 66.1 28 28 A V E -C 18 0A 4 -10,-1.0 -10,-2.9 18,-0.1 -1,-0.3 -0.993 61.3-175.6-142.4 143.4 46.1 38.2 65.6 29 29 A T E +CD 17 45A 53 16,-2.0 16,-3.2 -2,-0.3 2,-0.3 -0.941 15.9 156.8-132.4 163.7 42.6 38.3 67.1 30 30 A G E -CD 16 44A 10 -14,-2.4 -14,-2.3 -2,-0.3 2,-0.3 -0.987 27.4-140.4-170.6 174.9 39.8 35.9 66.6 31 31 A L E -CD 15 43A 55 12,-1.8 12,-2.8 -2,-0.3 2,-0.4 -0.900 5.4-155.1-156.8 122.4 36.6 34.3 67.8 32 32 A A E -CD 14 42A 0 -18,-2.8 -18,-1.6 -2,-0.3 2,-0.3 -0.858 28.3-174.5 -92.9 134.9 35.2 30.8 67.7 33 33 A E E + D 0 41A 72 8,-2.6 8,-1.9 -2,-0.4 -20,-0.2 -0.931 51.7 16.9-134.5 152.0 31.4 30.8 67.8 34 34 A N S > S- 0 0 63 -2,-0.3 3,-1.5 -22,-0.2 22,-0.2 0.841 78.1-163.3 58.1 37.8 28.5 28.3 68.0 35 35 A I T 3 + 0 0 9 -23,-2.5 23,-0.2 1,-0.3 -1,-0.1 -0.192 67.8 14.7 -57.2 140.1 30.8 25.6 69.3 36 36 A A T 3 S+ 0 0 67 21,-2.4 2,-0.3 1,-0.3 -1,-0.3 0.694 109.4 101.3 66.3 21.0 29.5 22.0 69.0 37 37 A T S X S- 0 0 50 -3,-1.5 19,-2.6 20,-0.2 3,-1.7 -0.811 90.2-101.3-124.2 171.0 26.7 23.1 66.7 38 38 A K T 3 S+ 0 0 142 1,-0.3 16,-0.1 -2,-0.3 19,-0.1 0.823 121.6 53.4 -58.6 -31.2 26.2 22.9 62.9 39 39 A N T 3 S+ 0 0 111 16,-0.1 -1,-0.3 -5,-0.1 -6,-0.1 0.134 75.1 145.0 -96.8 18.8 27.2 26.6 62.6 40 40 A C < + 0 0 1 -3,-1.7 14,-2.5 14,-0.2 2,-0.3 -0.349 21.3 159.3 -56.8 132.2 30.5 26.2 64.5 41 41 A K E -DE 33 53A 51 -8,-1.9 -8,-2.6 12,-0.3 2,-0.5 -0.991 33.1-143.8-155.0 152.6 33.1 28.6 63.0 42 42 A V E -DE 32 52A 1 10,-3.0 10,-3.1 -2,-0.3 2,-0.5 -0.981 12.5-156.0-121.5 124.6 36.3 30.3 63.9 43 43 A V E -DE 31 51A 12 -12,-2.8 -12,-1.8 -2,-0.5 2,-0.5 -0.846 8.5-168.3 -95.9 133.4 37.2 33.8 62.7 44 44 A F E -DE 30 50A 2 6,-3.1 6,-2.9 -2,-0.5 2,-0.5 -0.990 2.7-170.8-120.7 128.9 40.9 34.7 62.4 45 45 A K E +DE 29 49A 104 -16,-3.2 -16,-2.0 -2,-0.5 4,-0.2 -0.910 32.3 124.9-122.7 104.0 41.9 38.3 61.9 46 46 A A S S- 0 0 57 2,-2.0 3,-0.1 -2,-0.5 -18,-0.1 0.254 93.0 -22.3-113.5-112.6 45.6 39.0 61.1 47 47 A E S S+ 0 0 167 1,-0.1 2,-0.3 -2,-0.0 -2,-0.0 0.905 142.3 9.2 -64.6 -42.3 46.5 40.9 58.0 48 48 A H S S- 0 0 149 -4,-0.0 -2,-2.0 2,-0.0 2,-0.4 -0.871 90.2 -94.7-131.2 168.8 43.2 39.9 56.6 49 49 A K E -E 45 0A 133 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.686 36.9-176.3 -85.4 132.7 40.0 38.2 57.9 50 50 A I E -E 44 0A 88 -6,-2.9 -6,-3.1 -2,-0.4 2,-0.5 -0.999 8.9-159.9-128.4 130.4 39.7 34.4 57.4 51 51 A V E -E 43 0A 49 -2,-0.4 2,-0.6 -8,-0.2 -8,-0.2 -0.948 5.7-168.5-114.0 120.8 36.6 32.5 58.4 52 52 A K E -E 42 0A 56 -10,-3.1 -10,-3.0 -2,-0.5 2,-0.3 -0.928 8.5-152.7-113.2 116.9 36.9 28.7 58.9 53 53 A Y E +E 41 0A 159 -2,-0.6 -12,-0.3 -12,-0.2 2,-0.1 -0.628 15.0 178.1 -86.9 146.1 33.7 26.7 59.3 54 54 A L > - 0 0 50 -14,-2.5 3,-2.8 -2,-0.3 -14,-0.2 -0.574 24.1-141.5-148.2 75.7 33.7 23.5 61.2 55 55 A E T 3 S- 0 0 156 1,-0.3 -17,-0.3 -16,-0.1 -16,-0.1 -0.142 84.6 -9.2 -45.8 119.7 30.3 21.9 61.3 56 56 A N T 3 S+ 0 0 89 -19,-2.6 -1,-0.3 -22,-0.2 -18,-0.2 0.700 89.7 173.2 62.0 23.3 29.7 20.4 64.8 57 57 A G < - 0 0 3 -3,-2.8 -21,-2.4 -20,-0.4 -20,-0.2 -0.354 29.2-122.7 -59.8 137.5 33.3 21.0 65.8 58 58 A S > - 0 0 41 -23,-0.2 4,-2.5 -22,-0.1 5,-0.1 -0.330 22.6-108.1 -75.6 164.7 33.9 20.2 69.5 59 59 A Y H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.875 128.1 52.0 -57.0 -36.7 35.4 22.7 71.9 60 60 A K H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 105.5 53.3 -66.2 -40.2 38.4 20.5 71.6 61 61 A D H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.891 106.3 54.1 -59.9 -41.2 38.3 20.7 67.8 62 62 A V H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.948 109.0 47.7 -57.4 -49.0 38.3 24.5 68.2 63 63 A F H X S+ 0 0 1 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.864 110.6 50.4 -63.1 -38.2 41.4 24.4 70.3 64 64 A E H X S+ 0 0 85 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.867 110.9 50.2 -68.0 -35.5 43.2 22.1 67.9 65 65 A X H X S+ 0 0 35 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.901 111.0 48.9 -67.3 -39.6 42.3 24.4 65.1 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.942 113.2 47.3 -63.6 -46.1 43.6 27.4 67.1 67 67 A K H X S+ 0 0 72 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.935 110.3 52.9 -59.1 -46.7 46.8 25.4 67.8 68 68 A D H X S+ 0 0 85 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.911 108.8 49.8 -55.8 -45.2 47.1 24.5 64.1 69 69 A F H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.890 111.1 48.8 -61.7 -41.1 46.8 28.1 63.1 70 70 A L H <>S+ 0 0 4 -4,-2.0 5,-2.7 2,-0.2 6,-2.3 0.783 115.7 44.3 -71.0 -30.2 49.5 29.2 65.6 71 71 A V H ><5S+ 0 0 78 -4,-2.1 3,-2.2 3,-0.2 -2,-0.2 0.959 113.3 48.9 -74.6 -56.1 51.8 26.4 64.4 72 72 A E H 3<5S+ 0 0 122 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.842 116.9 42.9 -49.9 -41.3 51.2 27.0 60.7 73 73 A N T 3<5S- 0 0 80 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.222 113.6-117.6 -98.2 14.8 51.8 30.7 61.1 74 74 A K T < 5S+ 0 0 154 -3,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.777 79.9 119.1 60.7 34.3 54.8 30.2 63.4 75 75 A H >>< + 0 0 30 -5,-2.7 3,-2.1 -6,-0.2 4,-0.7 0.799 55.8 73.6 -90.8 -36.5 53.3 31.9 66.4 76 76 A L G >4 S+ 0 0 55 -6,-2.3 3,-1.5 1,-0.3 -5,-0.1 0.857 91.5 55.4 -52.4 -45.8 53.4 29.0 68.8 77 77 A E G 34 S+ 0 0 167 -7,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.721 107.7 51.4 -59.6 -23.3 57.2 29.1 69.3 78 78 A K G <4 S+ 0 0 89 -3,-2.1 -75,-2.5 -4,-0.1 2,-0.4 0.576 84.2 105.6 -92.3 -10.5 56.9 32.7 70.4 79 79 A I E << +a 3 0A 13 -3,-1.5 -75,-0.2 -4,-0.7 3,-0.1 -0.574 38.0 174.1 -79.5 127.9 54.2 32.2 73.0 80 80 A V E - 0 0 51 -77,-2.8 2,-0.3 -2,-0.4 -76,-0.2 0.607 62.2 -4.9-107.9 -18.0 55.4 32.4 76.6 81 81 A A E -a 4 0A 0 -78,-0.8 -76,-2.2 54,-0.2 2,-0.4 -0.988 58.2-120.4-166.0 168.0 52.2 32.2 78.5 82 82 A I E -af 5 137A 0 54,-2.0 56,-2.6 -2,-0.3 2,-0.5 -0.981 19.7-159.5-120.7 126.8 48.4 32.1 78.4 83 83 A G E -af 6 138A 0 -78,-2.6 -76,-3.0 -2,-0.4 2,-0.5 -0.925 8.4-160.1-108.2 128.5 46.1 34.7 80.1 84 84 A H E -af 7 139A 3 54,-3.2 56,-2.8 -2,-0.5 2,-0.3 -0.911 14.2-134.8-110.3 128.7 42.5 33.9 80.8 85 85 A R E - f 0 140A 24 -78,-2.7 2,-0.4 -2,-0.5 -76,-0.4 -0.628 22.3-170.6 -69.8 134.4 39.7 36.3 81.5 86 86 A V E - f 0 141A 0 54,-2.4 56,-2.2 -2,-0.3 57,-0.4 -0.986 13.2-154.4-128.2 122.8 37.7 35.2 84.5 87 87 A V S S+ 0 0 30 -2,-0.4 2,-0.4 54,-0.2 -1,-0.1 0.849 76.7 29.0 -68.7 -34.7 34.5 37.2 85.0 88 88 A H + 0 0 8 54,-0.1 -1,-0.2 26,-0.1 26,-0.1 -0.936 45.4 162.5-139.3 118.3 34.1 36.7 88.8 89 89 A G >> - 0 0 0 -2,-0.4 4,-1.4 1,-0.3 3,-1.0 0.193 34.2-154.8-111.9 13.2 36.8 36.1 91.5 90 90 A G T 34 - 0 0 1 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 -0.078 60.5 -39.5 50.4-144.2 34.6 36.9 94.6 91 91 A Q T 34 S+ 0 0 88 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.444 127.7 81.2 -91.9 -0.0 36.6 38.1 97.6 92 92 A Y T <4 S+ 0 0 125 -3,-1.0 2,-0.5 1,-0.2 -2,-0.2 0.825 89.0 50.1 -71.0 -35.5 39.3 35.6 96.9 93 93 A F < + 0 0 7 -4,-1.4 -1,-0.2 -3,-0.3 -4,-0.2 -0.920 40.5 158.6-122.5 116.9 41.2 37.5 94.2 94 94 A S S S+ 0 0 81 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.1 0.271 79.8 18.3-109.4 5.2 42.3 41.2 94.4 95 95 A K S S- 0 0 145 44,-0.0 -1,-0.1 52,-0.0 44,-0.1 -0.965 96.6 -72.6-161.8 170.5 44.9 40.7 91.7 96 96 A S - 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0 0 55 1,-0.2 4,-2.4 -8,-0.1 3,-0.7 -0.677 67.5-150.9 -85.5 115.8 22.5 48.7 69.7 275 275 A X H 3> S+ 0 0 7 -2,-0.6 4,-2.9 1,-0.3 5,-0.2 0.806 95.3 59.2 -57.5 -32.8 23.3 52.3 70.7 276 276 A R H 3> S+ 0 0 161 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.913 109.6 42.9 -60.5 -44.0 24.3 53.2 67.1 277 277 A E H <> S+ 0 0 91 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.880 112.2 53.6 -70.7 -39.6 20.9 52.2 65.8 278 278 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.960 110.3 47.8 -55.9 -48.9 19.2 53.9 68.7 279 279 A S H X S+ 0 0 19 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.899 111.9 49.6 -60.5 -41.6 21.0 57.2 67.9 280 280 A Q H X S+ 0 0 120 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.909 112.9 46.4 -66.9 -42.7 20.2 56.9 64.2 281 281 A L H ><>S+ 0 0 49 -4,-2.7 5,-2.1 2,-0.2 3,-0.7 0.913 112.2 50.1 -62.3 -45.3 16.5 56.3 64.9 282 282 A A H ><5S+ 0 0 6 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.895 106.3 57.5 -60.3 -39.4 16.4 59.2 67.4 283 283 A A H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.745 103.0 53.1 -64.7 -25.0 18.0 61.4 64.8 284 284 A K T <<5S- 0 0 176 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.497 131.2 -92.2 -87.8 -4.9 15.2 60.7 62.4 285 285 A G T < 5 + 0 0 47 -3,-1.5 2,-0.6 -4,-0.4 -3,-0.2 0.529 68.5 155.4 110.8 7.8 12.7 61.8 65.0 286 286 A D >< - 0 0 73 -5,-2.1 4,-2.0 1,-0.2 -1,-0.2 -0.559 29.2-157.8 -71.8 114.7 11.7 58.6 66.9 287 287 A S H > S+ 0 0 94 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.795 87.9 52.5 -69.1 -30.1 10.5 59.8 70.3 288 288 A L H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 108.8 50.3 -72.9 -34.9 11.1 56.5 72.2 289 289 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.899 110.9 50.5 -65.3 -40.4 14.7 56.3 70.9 290 290 A K H X S+ 0 0 100 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.918 110.5 49.2 -60.4 -43.1 15.1 59.9 72.1 291 291 A L H X S+ 0 0 35 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.881 107.5 54.4 -64.0 -40.3 13.7 58.8 75.5 292 292 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.902 109.7 47.8 -60.1 -41.2 16.0 55.9 75.7 293 293 A I H X S+ 0 0 14 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.886 111.8 49.6 -67.9 -39.2 18.9 58.2 75.2 294 294 A E H X S+ 0 0 60 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.943 113.6 45.5 -63.0 -49.1 17.6 60.6 77.8 295 295 A I H X S+ 0 0 4 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.953 116.9 45.6 -60.3 -48.2 17.2 57.8 80.4 296 296 A F H X S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.2 -67,-0.3 0.953 116.5 43.8 -57.9 -52.5 20.6 56.4 79.5 297 297 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.884 111.8 52.4 -66.6 -40.8 22.5 59.7 79.6 298 298 A H H X S+ 0 0 8 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.886 107.2 52.8 -63.9 -38.6 20.8 61.0 82.7 299 299 A R H X S+ 0 0 28 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.941 109.5 48.5 -65.3 -41.8 21.7 57.9 84.7 300 300 A V H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.942 112.1 49.9 -59.8 -46.5 25.3 58.2 83.7 301 301 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.897 107.8 53.6 -59.5 -40.8 25.2 61.9 84.7 302 302 A K H X S+ 0 0 36 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.884 110.4 46.5 -60.9 -40.3 23.6 61.0 88.1 303 303 A F H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.907 111.2 51.5 -67.8 -44.3 26.4 58.5 88.9 304 304 A V H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.3 0.961 112.1 47.2 -54.9 -51.6 29.1 61.0 87.8 305 305 A A H >< S+ 0 0 1 -4,-2.7 3,-1.0 1,-0.2 4,-0.3 0.899 110.5 51.9 -56.2 -42.8 27.5 63.6 90.2 306 306 A S H >< S+ 0 0 8 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.836 106.5 54.6 -66.9 -32.3 27.3 61.0 93.0 307 307 A Y H >< S+ 0 0 0 -4,-2.1 3,-1.8 -3,-0.3 -1,-0.3 0.600 82.6 86.2 -77.6 -12.1 31.0 60.2 92.6 308 308 A X G X< S+ 0 0 30 -3,-1.0 3,-1.8 -4,-0.8 -1,-0.2 0.796 74.0 75.4 -57.6 -25.1 32.1 63.8 93.0 309 309 A I G < S+ 0 0 10 -3,-0.9 416,-0.3 -4,-0.3 -1,-0.3 0.773 87.9 59.8 -56.9 -26.8 32.1 63.2 96.8 310 310 A Y G < S+ 0 0 26 -3,-1.8 2,-0.5 -4,-0.1 -1,-0.3 0.503 93.9 78.5 -81.8 -3.0 35.3 61.2 96.5 311 311 A F < + 0 0 10 -3,-1.8 3,-0.3 -4,-0.2 -1,-0.1 -0.915 40.5 179.1-124.2 120.5 37.4 64.0 95.1 312 312 A N S S+ 0 0 151 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.908 101.7 10.4 -66.6 -44.5 39.1 67.1 96.5 313 313 A K S S- 0 0 143 -3,-0.1 2,-0.5 0, 0.0 -1,-0.3 -0.936 78.8-146.4-137.9 111.7 40.3 67.6 93.0 314 314 A L - 0 0 17 -2,-0.4 50,-0.3 -3,-0.3 -118,-0.2 -0.672 6.5-164.6 -76.4 123.8 38.9 65.6 90.1 315 315 A D - 0 0 13 -120,-2.7 49,-0.4 -2,-0.5 2,-0.3 0.932 63.8 -31.2 -73.1 -47.6 41.6 65.1 87.4 316 316 A A E -i 196 0B 0 -121,-0.9 -119,-2.0 47,-0.1 2,-0.5 -0.977 42.2-124.3-163.9 153.9 39.2 64.0 84.7 317 317 A L E -ik 197 365B 0 47,-2.2 49,-2.8 -2,-0.3 2,-0.5 -0.935 41.2-156.7 -93.8 129.6 35.9 62.3 83.7 318 318 A V E -ik 198 366B 0 -121,-3.4 -119,-3.6 -2,-0.5 2,-0.4 -0.955 10.8-158.1-119.7 124.4 37.0 59.6 81.2 319 319 A F E +ik 199 367B 0 47,-2.7 49,-2.1 -2,-0.5 2,-0.3 -0.808 26.7 152.1 -94.3 139.1 34.7 58.0 78.6 320 320 A T E > +i 200 0B 0 -121,-2.4 -119,-3.0 -2,-0.4 4,-0.8 -0.898 22.1 68.1-153.2 178.8 35.7 54.6 77.2 321 321 A G H > S- 0 0 2 47,-0.3 4,-3.1 -2,-0.3 5,-0.3 -0.151 97.6 -54.8 89.5 171.4 34.2 51.5 75.7 322 322 A G H > S+ 0 0 45 1,-0.2 4,-0.6 2,-0.2 -120,-0.3 0.862 141.9 31.4 -53.5 -42.0 32.5 51.0 72.3 323 323 A I H > S+ 0 0 21 -122,-2.2 4,-3.0 -3,-0.2 3,-0.4 0.910 118.8 53.2 -81.2 -46.5 30.0 53.8 73.0 324 324 A G H < S+ 0 0 0 -123,-2.1 -3,-0.2 -4,-0.8 -2,-0.2 0.851 113.9 43.4 -59.7 -35.5 32.3 56.0 75.1 325 325 A E H < S+ 0 0 41 -4,-3.1 -1,-0.2 -124,-0.4 -2,-0.2 0.775 128.9 22.2 -79.3 -26.6 35.0 56.0 72.5 326 326 A N H < S+ 0 0 94 -4,-0.6 2,-1.3 -3,-0.4 -2,-0.2 0.673 94.4 87.4-121.2 -25.7 32.9 56.5 69.4 327 327 A A X + 0 0 15 -4,-3.0 4,-2.0 1,-0.2 3,-0.4 -0.624 40.5 172.2 -91.1 85.9 29.5 58.1 70.2 328 328 A A H > S+ 0 0 26 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.871 79.2 55.3 -59.9 -38.1 30.0 61.9 70.2 329 329 A N H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 108.1 48.3 -63.9 -37.2 26.3 62.6 70.4 330 330 A I H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.908 111.3 48.4 -71.6 -43.1 26.0 60.5 73.6 331 331 A R H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.922 111.5 51.8 -60.4 -43.3 29.0 62.1 75.3 332 332 A K H X S+ 0 0 108 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.905 110.4 48.6 -58.9 -41.5 27.5 65.6 74.4 333 333 A N H X S+ 0 0 27 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.949 112.1 47.9 -67.2 -47.0 24.2 64.6 75.9 334 334 A I H X S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.926 113.7 46.3 -59.4 -45.9 25.8 63.3 79.1 335 335 A I H >< S+ 0 0 4 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.888 106.2 60.6 -67.4 -36.7 28.0 66.4 79.6 336 336 A S H >< S+ 0 0 83 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.2 0.913 103.9 50.3 -51.1 -43.5 25.0 68.6 78.8 337 337 A K H 3< S+ 0 0 36 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.625 105.8 57.3 -74.8 -11.5 23.3 67.1 81.8 338 338 A L T X<>S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.5 5,-1.1 0.203 70.5 114.5-101.8 14.6 26.3 67.8 84.0 339 339 A A G X 5S+ 0 0 48 -3,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.871 71.4 55.9 -53.7 -42.4 26.3 71.6 83.2 340 340 A N G 3 5S+ 0 0 73 354,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.612 102.8 58.2 -71.5 -8.6 25.5 72.5 86.9 341 341 A L G < 5S- 0 0 29 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.199 123.7 -95.6-104.9 14.4 28.6 70.6 88.0 342 342 A G T < 5S+ 0 0 37 -3,-1.6 21,-2.0 1,-0.3 2,-0.4 0.811 78.9 135.0 79.7 29.7 31.1 72.6 85.9 343 343 A F < + 0 0 0 -5,-1.1 2,-0.3 19,-0.2 -1,-0.3 -0.942 22.8 169.2-108.1 134.7 31.4 70.3 82.9 344 344 A X - 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0 0 93 -2,-0.4 15,-2.6 19,-0.4 2,-0.2 -0.969 21.2-137.3-149.8 131.5 30.4 72.4 106.2 730 345 B I B -Z 743 0F 18 -2,-0.3 2,-0.7 13,-0.3 13,-0.3 -0.579 7.1-142.0 -90.0 143.9 28.8 72.0 109.6 731 346 B D > - 0 0 50 11,-3.0 4,-2.6 -2,-0.2 5,-0.2 -0.943 20.1-152.3 -96.7 112.8 28.9 74.6 112.5 732 347 B H H > S+ 0 0 106 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.851 88.9 50.3 -60.8 -38.7 29.2 72.2 115.4 733 348 B Q H > S+ 0 0 140 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.929 113.6 44.7 -66.5 -45.5 27.6 74.4 118.0 734 349 B K H 4>S+ 0 0 79 1,-0.2 5,-2.0 2,-0.2 4,-0.3 0.894 114.5 50.8 -64.6 -37.9 24.5 75.1 115.8 735 350 B N H ><5S+ 0 0 5 -4,-2.6 3,-1.9 7,-0.3 -2,-0.2 0.934 104.8 55.6 -64.4 -44.8 24.4 71.4 114.9 736 351 B S H 3<5S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 113.1 42.8 -59.5 -27.9 24.5 70.3 118.6 737 352 B N T 3<5S- 0 0 98 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.378 107.1-127.4 -97.5 3.5 21.4 72.5 119.2 738 353 B S T < 5 - 0 0 42 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.909 42.7-177.5 50.2 49.7 19.6 71.4 116.0 739 354 B E < - 0 0 85 -5,-2.0 13,-0.3 2,-0.2 -1,-0.1 -0.150 42.7-101.2 -72.6 170.3 19.1 75.1 115.0 740 355 B T S S+ 0 0 70 1,-0.2 12,-1.8 11,-0.2 2,-0.4 0.889 116.5 33.0 -61.1 -41.0 17.2 76.1 111.8 741 356 B F B +Y 751 0E 65 10,-0.2 10,-0.2 1,-0.1 -1,-0.2 -0.974 63.2 168.7-113.0 132.9 20.6 76.6 110.1 742 357 B I + 0 0 0 8,-3.4 -11,-3.0 -2,-0.4 -7,-0.3 0.305 42.0 108.3-125.7 6.9 23.5 74.4 111.0 743 358 B N B -Z 730 0F 18 7,-0.7 -13,-0.3 -13,-0.3 4,-0.1 -0.488 66.1-120.7 -81.5 154.6 26.0 75.2 108.3 744 359 B S - 0 0 30 -15,-2.6 3,-0.3 -2,-0.2 -15,-0.2 -0.267 39.6 -89.9 -80.1-179.5 29.2 77.2 108.8 745 360 B K S S+ 0 0 205 1,-0.2 2,-1.2 -15,-0.1 -1,-0.1 0.861 121.5 52.8 -61.7 -43.6 29.9 80.5 107.0 746 361 B N S S+ 0 0 146 2,-0.0 2,-0.3 -18,-0.0 -1,-0.2 -0.569 99.4 80.4 -94.6 70.7 31.7 78.9 104.0 747 362 B S S S- 0 0 26 -2,-1.2 -19,-0.2 -3,-0.3 3,-0.1 -0.987 85.1 -90.5-163.4 155.3 29.0 76.3 103.1 748 363 B H - 0 0 50 -21,-1.5 -19,-0.4 -2,-0.3 -4,-0.1 -0.383 68.5 -81.3 -58.8 154.9 25.8 75.8 101.3 749 364 B N - 0 0 57 -49,-0.4 -47,-2.3 -50,-0.3 2,-0.4 -0.396 47.5-166.7 -56.5 135.7 22.8 76.3 103.6 750 365 B I E -x 702 0E 0 -49,-0.2 -8,-3.4 -3,-0.1 -7,-0.7 -0.988 13.8-173.2-129.3 120.9 22.2 73.3 105.8 751 366 B X E -xY 703 741E 0 -49,-3.1 -47,-3.2 -2,-0.4 2,-0.5 -0.779 25.8-151.5-120.8 155.2 18.9 73.3 107.6 752 367 B V E +x 704 0E 13 -12,-1.8 2,-0.4 -13,-0.3 -47,-0.2 -0.986 25.3 172.7-121.6 118.1 16.9 71.4 110.2 753 368 B I - 0 0 11 -49,-2.5 -47,-0.3 -2,-0.5 2,-0.2 -0.991 30.9-125.5-130.0 127.8 13.2 71.7 109.8 754 369 B A - 0 0 57 -2,-0.4 2,-0.2 -49,-0.1 -49,-0.1 -0.490 26.5-134.6 -68.5 130.0 10.6 69.7 111.7 755 370 B T - 0 0 25 -2,-0.2 3,-0.1 1,-0.0 -193,-0.1 -0.528 18.0-170.7 -81.1 155.6 8.2 67.9 109.5 756 371 B N > + 0 0 50 -2,-0.2 4,-2.0 -195,-0.1 5,-0.1 -0.544 16.6 163.0-145.4 73.2 4.4 68.1 110.3 757 372 B E H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 75.9 58.1 -61.5 -37.1 2.7 65.6 108.0 758 373 B E H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 107.1 46.3 -62.6 -45.4 -0.5 65.7 110.2 759 374 B L H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 111.8 51.7 -62.2 -43.5 -0.9 69.4 109.8 760 375 B X H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.926 110.6 48.6 -59.0 -45.1 -0.3 69.2 106.1 761 376 B I H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 109.8 52.4 -60.9 -41.9 -3.0 66.4 105.9 762 377 B A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.903 112.1 45.7 -60.8 -41.7 -5.4 68.6 107.9 763 378 B Q H X S+ 0 0 64 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.903 111.2 51.0 -69.1 -44.0 -4.9 71.5 105.5 764 379 B E H X S+ 0 0 34 -4,-2.7 4,-0.6 -5,-0.2 -2,-0.2 0.899 113.8 47.3 -58.5 -39.5 -5.3 69.4 102.4 765 380 B T H >X S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 4,-0.8 0.952 108.0 52.3 -69.1 -50.9 -8.5 68.0 103.9 766 381 B Q H >< S+ 0 0 56 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.840 102.7 63.3 -52.9 -35.7 -9.9 71.4 104.9 767 382 B N H 3< S+ 0 0 123 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.760 105.2 44.3 -60.8 -27.8 -9.3 72.6 101.3 768 383 B L H << 0 0 68 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.576 360.0 360.0 -99.7 -12.5 -11.8 70.0 99.9 769 384 B I << 0 0 83 -4,-0.8 -303,-0.1 -3,-0.6 -286,-0.0 -0.269 360.0 360.0 -98.4 360.0 -14.8 70.3 102.3