==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 10-APR-09 2KHO . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN 70; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.R.P.ZUIDERWEG,E.B.BERTELSEN . 600 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 41 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 1 1 0 3 1 0 1 1 2 1 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 3 1 6 1 1 1 2 1 3 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 . 2 2 1 3 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 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 4 A I 0 0 47 0, 0.0 2,-0.3 0, 0.0 134,-0.2 0.000 360.0 360.0 360.0 127.8 -8.1 -7.7 -20.5 2 5 A I E -a 135 0A 4 132,-1.1 134,-2.2 13,-0.1 2,-0.7 -0.761 360.0-124.0-104.5 156.2 -8.6 -7.0 -16.8 3 6 A G E -aB 136 14A 0 11,-3.0 11,-3.3 -2,-0.3 2,-0.5 -0.871 30.1-176.2-101.1 109.5 -7.0 -4.2 -14.7 4 7 A I E -aB 137 13A 0 132,-3.0 134,-0.9 -2,-0.7 2,-0.7 -0.918 14.9-155.7-104.1 130.2 -5.1 -5.6 -11.7 5 8 A D E - B 0 12A 13 7,-3.4 7,-1.5 -2,-0.5 2,-0.7 -0.923 10.1-165.8-100.4 114.6 -3.5 -3.3 -9.2 6 9 A L + 0 0 8 -2,-0.7 5,-0.1 5,-0.2 2,-0.1 -0.912 19.2 178.3-100.3 112.3 -0.7 -5.3 -7.5 7 10 A G - 0 0 13 -2,-0.7 60,-0.3 3,-0.3 4,-0.1 -0.287 41.4-111.8 -99.8-172.1 0.3 -3.3 -4.4 8 11 A T S S+ 0 0 22 2,-0.1 57,-0.6 -2,-0.1 59,-0.3 0.868 112.1 3.0 -81.7 -54.7 2.7 -3.6 -1.5 9 12 A T S S+ 0 0 52 1,-0.2 26,-2.2 56,-0.1 2,-0.3 0.641 131.7 36.3-101.5 -32.1 0.1 -4.1 1.3 10 13 A N E -E 34 0B 67 24,-0.3 2,-0.3 25,-0.1 -3,-0.3 -0.987 60.0-152.9-140.9 142.0 -3.3 -4.1 -0.6 11 14 A S E +E 33 0B 0 22,-4.3 22,-3.7 -2,-0.3 2,-0.3 -0.935 13.1 175.0-122.9 144.0 -4.7 -5.4 -4.0 12 15 A C E -B 5 0A 1 -7,-1.5 -7,-3.4 -2,-0.3 2,-0.3 -0.993 11.2-156.9-149.8 146.3 -7.7 -4.2 -6.1 13 16 A V E +B 4 0A 1 18,-0.4 11,-2.1 -2,-0.3 2,-0.3 -0.941 15.0 173.5-131.2 145.0 -9.0 -5.2 -9.6 14 17 A A E -BC 3 23A 0 -11,-3.3 -11,-3.0 -2,-0.3 2,-0.3 -0.961 13.8-163.3-150.8 165.7 -11.2 -3.4 -12.1 15 18 A I E - C 0 22A 17 7,-3.2 7,-3.5 -2,-0.3 2,-0.6 -0.947 31.1-107.9-143.3 163.2 -12.8 -3.3 -15.6 16 19 A M E - C 0 21A 33 357,-0.3 2,-1.2 -2,-0.3 3,-0.0 -0.873 23.7-152.5 -96.4 120.7 -14.3 -0.8 -18.1 17 20 A D E > S- C 0 20A 77 3,-4.3 3,-2.6 -2,-0.6 2,-0.7 -0.803 74.5 -53.4 -95.9 86.7 -18.1 -1.4 -18.3 18 21 A G T 3 S- 0 0 56 -2,-1.2 360,-0.2 1,-0.3 -2,-0.1 -0.618 122.5 -25.1 80.3-107.2 -18.4 -0.1 -21.8 19 22 A T T 3 S+ 0 0 111 -2,-0.7 -1,-0.3 358,-0.1 358,-0.0 0.428 124.7 95.6-102.1 -10.4 -16.7 3.3 -21.4 20 23 A T E < S-C 17 0A 76 -3,-2.6 -3,-4.3 1,-0.1 2,-0.2 -0.709 77.8-119.1 -95.3 133.5 -17.5 3.4 -17.7 21 24 A P E -C 16 0A 78 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.484 29.5-172.0 -68.9 136.5 -15.0 2.3 -15.0 22 25 A R E -C 15 0A 68 -7,-3.5 -7,-3.2 -2,-0.2 2,-0.5 -0.996 9.7-156.0-132.7 129.6 -16.2 -0.5 -12.7 23 26 A V E -C 14 0A 21 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.893 21.4-137.2-110.5 128.8 -14.2 -1.6 -9.6 24 27 A L - 0 0 4 -11,-2.1 2,-0.3 -2,-0.5 -11,-0.3 -0.272 6.0-139.9 -95.3 170.1 -14.9 -5.2 -8.6 25 28 A E - 0 0 110 98,-0.2 6,-0.3 -13,-0.1 -13,-0.0 -0.979 20.0-117.1-136.4 138.8 -15.4 -7.0 -5.2 26 29 A N > - 0 0 6 4,-4.3 3,-2.6 -2,-0.3 94,-0.1 -0.131 36.4 -98.1 -74.8 170.4 -14.2 -10.3 -3.9 27 30 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.761 127.0 55.8 -62.6 -27.2 -16.3 -13.3 -3.0 28 31 A E T 3 S- 0 0 91 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.472 124.2-106.1 -75.9 -10.2 -16.0 -12.2 0.7 29 32 A G S < S+ 0 0 49 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.537 77.8 131.6 90.2 14.5 -17.4 -8.8 -0.3 30 33 A D - 0 0 45 1,-0.2 -4,-4.3 -5,-0.0 -1,-0.3 -0.711 36.1-172.3 -96.9 147.7 -14.1 -6.9 -0.1 31 34 A R S S+ 0 0 82 1,-0.3 2,-0.8 -2,-0.3 -18,-0.4 0.861 83.2 42.7 -96.2 -62.1 -12.9 -4.5 -2.9 32 35 A T S S- 0 0 38 -20,-0.1 -1,-0.3 -22,-0.0 -20,-0.2 -0.824 85.7-165.7 -93.0 108.9 -9.4 -3.6 -1.8 33 36 A T E -E 11 0B 3 -22,-3.7 -22,-4.3 -2,-0.8 2,-0.2 -0.793 25.9-101.8-100.1 143.6 -8.1 -7.1 -0.6 34 37 A P E -E 10 0B 16 0, 0.0 2,-2.3 0, 0.0 14,-0.3 -0.434 23.9-130.1 -68.7 135.8 -4.9 -7.5 1.6 35 38 A S + 0 0 10 -26,-2.2 30,-0.8 -2,-0.2 31,-0.4 -0.287 66.5 129.3 -82.9 58.6 -1.8 -8.6 -0.4 36 39 A I E -F 64 0C 25 -2,-2.3 12,-3.3 28,-0.2 2,-0.4 -0.928 37.5-172.8-122.7 136.1 -1.2 -11.4 2.2 37 40 A I E -FG 63 47C 3 26,-3.2 26,-4.2 -2,-0.4 2,-0.4 -0.992 6.4-174.1-130.6 133.6 -0.7 -15.1 1.4 38 41 A A E -FG 62 46C 1 8,-2.9 8,-3.3 -2,-0.4 2,-0.8 -0.994 20.4-149.2-139.8 130.4 -0.5 -17.7 4.2 39 42 A Y E - G 0 45C 23 22,-2.6 6,-0.2 -2,-0.4 2,-0.1 -0.880 28.8-137.5 -99.2 107.9 0.3 -21.5 4.0 40 43 A T > - 0 0 10 4,-3.8 3,-2.8 -2,-0.8 4,-0.0 -0.417 21.7-111.3 -74.0 147.9 -1.7 -23.0 6.9 41 44 A Q T 3 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.764 116.3 52.9 -58.4 -33.8 0.2 -25.6 8.9 42 45 A D T 3 S- 0 0 138 2,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.016 130.6 -88.1 -95.1 31.3 -1.9 -28.5 7.7 43 46 A G S < S+ 0 0 48 -3,-2.8 2,-0.2 1,-0.3 -2,-0.2 0.271 77.8 141.4 102.8 -13.7 -1.4 -27.5 4.0 44 47 A E - 0 0 120 -5,-0.1 -4,-3.8 1,-0.1 2,-0.7 -0.472 41.9-145.0 -72.1 133.4 -4.2 -25.0 3.1 45 48 A T E -G 39 0C 66 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.882 26.0-176.2-100.9 108.6 -3.0 -22.1 0.9 46 49 A L E -G 38 0C 40 -8,-3.3 -8,-2.9 -2,-0.7 2,-0.3 -0.814 9.6-165.4-110.6 153.0 -5.0 -19.0 2.0 47 50 A V E -G 37 0C 21 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.986 48.8 -9.6-136.5 142.5 -5.0 -15.5 0.5 48 51 A G S >> S+ 0 0 0 -12,-3.3 4,-1.9 -2,-0.3 3,-1.2 -0.516 121.8 3.1 88.7-137.3 -6.3 -12.2 1.7 49 52 A Q H 3> S+ 0 0 48 -2,-0.3 4,-3.7 1,-0.2 -1,-0.2 0.915 132.5 52.6 -57.4 -47.3 -8.4 -11.6 4.9 50 53 A P H 34 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.560 110.1 51.5 -71.5 -1.4 -8.3 -15.4 5.8 51 54 A A H <4 S+ 0 0 0 -3,-1.2 -2,-0.2 -15,-0.2 3,-0.2 0.719 115.3 39.8 -92.5 -35.4 -4.4 -15.0 5.5 52 55 A K H >< S+ 0 0 67 -4,-1.9 3,-2.6 -16,-0.2 4,-0.3 0.889 107.3 64.4 -70.1 -47.2 -4.4 -11.9 7.8 53 56 A R T 3< S+ 0 0 165 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.1 0.599 114.4 31.0 -60.2 -14.0 -7.0 -13.4 10.2 54 57 A Q T >> S+ 0 0 36 -3,-0.2 3,-2.4 -5,-0.2 4,-0.8 0.233 85.9 114.6-118.2 12.1 -4.6 -16.3 11.2 55 58 A A T <4 S+ 0 0 29 -3,-2.6 -2,-0.1 1,-0.3 7,-0.1 0.656 74.9 53.0 -66.5 -20.0 -1.4 -14.3 10.7 56 59 A V T 34 S+ 0 0 102 -4,-0.3 -1,-0.3 1,-0.1 -3,-0.1 0.650 105.1 58.6 -78.4 -23.0 -0.5 -14.4 14.5 57 60 A T T <4 S+ 0 0 101 -3,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.677 123.2 10.9 -86.0 -26.2 -0.8 -18.2 14.4 58 61 A N >< + 0 0 19 -4,-0.8 3,-1.8 1,-0.0 -19,-0.2 -0.201 69.8 155.8-151.2 58.5 1.7 -19.3 11.8 59 62 A P G > + 0 0 55 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 0.750 68.3 66.0 -66.1 -29.4 3.9 -16.2 10.9 60 63 A Q G 3 S+ 0 0 136 1,-0.3 29,-1.0 28,-0.1 43,-0.1 0.688 112.0 37.2 -66.4 -19.3 7.0 -18.2 9.6 61 64 A N G < S+ 0 0 21 -3,-1.8 -22,-2.6 27,-0.1 2,-0.5 0.017 94.5 104.9-123.0 28.4 4.8 -19.4 6.7 62 65 A T E < -F 38 0C 5 -3,-1.7 2,-0.5 -24,-0.2 -24,-0.2 -0.928 56.3-157.9-112.6 127.2 2.8 -16.1 6.3 63 66 A L E +F 37 0C 1 -26,-4.2 -26,-3.2 -2,-0.5 2,-0.3 -0.927 23.0 154.8-115.0 119.6 3.9 -14.1 3.2 64 67 A F E +F 36 0C 78 -2,-0.5 -28,-0.2 -28,-0.2 24,-0.1 -0.988 54.4 23.4-141.5 153.4 3.3 -10.4 3.0 65 68 A A > + 0 0 12 -30,-0.8 3,-2.3 -57,-0.6 4,-0.3 0.714 62.5 158.4 68.9 34.4 4.8 -7.3 1.2 66 69 A I G >> + 0 0 10 -31,-0.4 4,-1.6 1,-0.3 3,-1.5 0.675 58.1 79.0 -70.0 -14.4 6.3 -9.5 -1.6 67 70 A K G 34 S+ 0 0 16 -59,-0.3 -1,-0.3 -60,-0.3 4,-0.2 0.726 88.9 59.4 -62.6 -21.3 6.6 -6.4 -4.0 68 71 A R G <4 S+ 0 0 25 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.730 120.2 24.7 -73.3 -26.2 9.7 -5.4 -1.9 69 72 A L T X4 S+ 0 0 3 -3,-1.5 3,-2.0 -4,-0.3 29,-0.3 0.514 85.9 116.7-108.1 -18.4 11.4 -8.8 -2.9 70 73 A I T 3< S- 0 0 4 -4,-1.6 -3,-0.1 1,-0.3 -2,-0.1 0.580 98.2 -1.8 -44.2 -35.8 9.7 -9.7 -6.2 71 74 A G T 3 S+ 0 0 17 -4,-0.2 -1,-0.3 38,-0.1 2,-0.2 -0.136 101.6 115.9-154.6 46.5 12.7 -9.5 -8.5 72 75 A R < - 0 0 34 -3,-2.0 26,-2.7 26,-0.2 2,-0.2 -0.636 58.7-119.2-112.9 168.6 15.7 -8.4 -6.3 73 76 A R B -H 97 0D 116 24,-0.3 24,-0.3 -2,-0.2 6,-0.2 -0.751 29.2-100.9-115.6 159.5 18.8 -10.6 -5.4 74 77 A F S S+ 0 0 91 22,-2.8 2,-0.9 -2,-0.2 23,-0.1 0.810 116.3 54.0 -55.3 -40.2 20.1 -11.8 -2.1 75 78 A Q S S+ 0 0 150 21,-0.4 2,-0.3 4,-0.1 -1,-0.2 -0.880 83.1 112.6 -98.0 101.7 22.8 -9.0 -1.8 76 79 A D S > S- 0 0 33 -2,-0.9 4,-1.8 -4,-0.1 5,-0.1 -0.905 76.1-110.3-161.1 162.2 20.7 -5.8 -2.3 77 80 A E T 4 S+ 0 0 99 -2,-0.3 4,-0.3 2,-0.2 -2,-0.0 0.649 117.1 41.7 -81.1 -18.7 19.8 -2.9 0.1 78 81 A E T > S+ 0 0 16 2,-0.1 4,-3.5 3,-0.1 3,-0.2 0.825 116.0 47.5 -90.3 -48.0 16.1 -3.9 0.4 79 82 A V H > S+ 0 0 0 1,-0.2 4,-2.6 -6,-0.2 -2,-0.2 0.913 110.9 52.3 -62.8 -41.1 16.6 -7.7 0.6 80 83 A Q H < S+ 0 0 112 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.817 115.8 40.4 -65.4 -31.7 19.4 -7.2 3.3 81 84 A R H >> S+ 0 0 55 -4,-0.3 3,-1.1 -3,-0.2 4,-0.9 0.866 113.0 54.3 -79.2 -41.1 17.0 -5.0 5.4 82 85 A D H >X S+ 0 0 2 -4,-3.5 4,-3.8 1,-0.3 3,-0.8 0.905 104.3 55.3 -57.1 -42.2 14.0 -7.3 4.7 83 86 A V H 3< S+ 0 0 70 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.709 108.9 50.7 -60.8 -22.9 16.0 -10.4 6.0 84 87 A S H <4 S+ 0 0 91 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.657 126.1 20.6 -85.9 -26.5 16.5 -8.3 9.2 85 88 A I H << S+ 0 0 93 -4,-0.9 -2,-0.2 -3,-0.8 -3,-0.2 0.633 95.9 95.9-113.7 -31.7 12.8 -7.5 9.8 86 89 A M < - 0 0 28 -4,-3.8 4,-0.2 -5,-0.2 0, 0.0 -0.510 58.0-150.6 -77.7 138.8 10.6 -10.0 7.9 87 90 A P S S+ 0 0 67 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.739 71.6 85.5 -76.6 -25.8 9.3 -13.0 10.0 88 91 A F S S- 0 0 6 -26,-0.2 2,-1.2 -24,-0.1 -27,-0.1 -0.532 95.8 -95.7 -83.1 149.3 9.1 -15.4 7.1 89 92 A K - 0 0 109 -29,-1.0 12,-3.5 12,-0.5 2,-0.3 -0.476 44.3-171.8 -77.4 95.4 12.2 -17.4 6.0 90 93 A I E -I 100 0E 10 -2,-1.2 2,-0.3 10,-0.2 10,-0.3 -0.664 10.8-179.6 -78.6 144.3 13.8 -15.5 3.1 91 94 A I E -I 99 0E 18 8,-3.4 8,-3.1 -2,-0.3 2,-0.4 -0.927 32.8-100.8-139.6 166.3 16.6 -17.3 1.3 92 95 A A E -I 98 0E 46 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.737 42.7-129.0 -84.3 134.1 19.2 -16.9 -1.5 93 96 A A > - 0 0 8 4,-3.6 3,-3.0 -2,-0.4 -19,-0.1 -0.475 25.1-103.8 -78.1 161.8 18.2 -18.7 -4.6 94 97 A D T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.572 128.0 45.7 -58.9 -13.7 20.4 -21.2 -6.5 95 98 A N T 3 S- 0 0 141 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.277 127.3 -99.3-107.0 2.5 20.8 -18.2 -9.1 96 99 A G S < S+ 0 0 29 -3,-3.0 -22,-2.8 1,-0.3 -21,-0.4 0.435 79.5 141.5 88.9 2.1 21.5 -15.6 -6.3 97 100 A D B -H 73 0D 60 -24,-0.3 -4,-3.6 -23,-0.1 2,-0.7 -0.239 63.5-104.3 -66.0 158.9 17.8 -14.4 -6.5 98 101 A A E +I 92 0E 2 -26,-2.7 2,-0.2 -29,-0.3 -26,-0.2 -0.814 57.5 164.2 -91.5 114.7 15.9 -13.4 -3.4 99 102 A W E -I 91 0E 57 -8,-3.1 -8,-3.4 -2,-0.7 2,-0.3 -0.730 31.1-115.9-127.5 173.1 13.6 -16.3 -2.7 100 103 A V E -IJ 90 107E 1 7,-2.5 7,-3.2 -10,-0.3 2,-0.4 -0.867 7.3-149.1-118.0 152.2 11.4 -17.7 0.1 101 104 A E E + J 0 106E 69 -12,-3.5 -12,-0.5 -2,-0.3 2,-0.4 -0.979 22.4 179.5-115.5 124.1 11.5 -21.0 2.1 102 105 A V E > - J 0 105E 0 3,-2.8 3,-2.9 -2,-0.4 -41,-0.1 -0.995 69.3 -19.1-134.2 125.4 8.0 -22.1 3.3 103 106 A K T 3 S- 0 0 124 -2,-0.4 3,-0.1 1,-0.3 -42,-0.1 0.673 130.2 -52.3 50.9 22.9 7.4 -25.3 5.3 104 107 A G T 3 S+ 0 0 62 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.243 115.0 113.8 100.3 -11.4 10.9 -26.4 4.1 105 108 A Q E < -J 102 0E 108 -3,-2.9 -3,-2.8 1,-0.0 2,-0.4 -0.797 62.6-129.6-101.6 140.2 10.3 -25.9 0.3 106 109 A K E -J 101 0E 99 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.676 31.0-179.0 -87.9 132.2 12.1 -23.2 -1.8 107 110 A M E -J 100 0E 22 -7,-3.2 -7,-2.5 -2,-0.4 -14,-0.0 -0.981 28.5-127.0-140.1 152.0 9.9 -20.9 -4.0 108 111 A A >> - 0 0 19 -2,-0.3 3,-3.1 -9,-0.2 4,-0.7 -0.792 30.2-125.0 -98.3 126.8 10.4 -18.0 -6.4 109 112 A P H 3> S+ 0 0 2 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.641 106.4 64.8 -59.5 -21.2 8.3 -15.0 -5.5 110 113 A P H 3> S+ 0 0 16 0, 0.0 4,-1.2 0, 0.0 47,-0.1 0.823 103.2 53.3 -56.8 -31.5 6.4 -14.6 -8.8 111 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47.7 -57.1 -43.3 -0.7 -15.4 -85.6 567 570 A T H X S+ 0 0 94 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.921 112.4 48.8 -61.9 -46.2 -4.2 -16.8 -85.7 568 571 A A H X S+ 0 0 27 -4,-1.7 4,-3.1 1,-0.2 3,-0.4 0.827 109.3 51.1 -65.4 -36.5 -3.0 -20.2 -84.5 569 572 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.872 107.4 55.0 -64.3 -37.2 -1.0 -18.6 -81.6 570 573 A E H < S+ 0 0 72 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.623 112.4 43.4 -70.9 -17.7 -4.3 -16.8 -80.7 571 574 A T H >< S+ 0 0 93 -4,-0.6 3,-2.2 -3,-0.4 -2,-0.2 0.799 112.7 50.2 -85.1 -50.1 -6.0 -20.3 -80.6 572 575 A A H >< S+ 0 0 14 -4,-3.1 3,-2.0 1,-0.3 5,-0.3 0.875 104.0 60.7 -58.4 -35.9 -3.1 -22.0 -78.6 573 576 A L T 3< S+ 0 0 33 -4,-2.6 -1,-0.3 1,-0.3 -3,-0.1 0.494 96.5 60.1 -70.9 0.1 -3.3 -19.0 -76.2 574 577 A K T < S+ 0 0 143 -3,-2.2 -1,-0.3 -5,-0.1 2,-0.2 0.307 97.4 84.0-101.1 6.8 -6.9 -20.1 -75.5 575 578 A G S < S- 0 0 24 -3,-2.0 -3,-0.0 2,-0.2 0, 0.0 -0.570 76.5-139.8 -98.9 166.2 -5.4 -23.5 -74.3 576 579 A E S S+ 0 0 134 -2,-0.2 2,-0.6 5,-0.0 -1,-0.1 0.280 72.0 118.5 -99.0 7.4 -4.0 -24.5 -70.9 577 580 A D > - 0 0 86 -5,-0.3 4,-1.0 1,-0.2 -2,-0.2 -0.642 44.5-174.2 -86.2 115.3 -1.3 -26.3 -73.0 578 581 A K H > S+ 0 0 51 -2,-0.6 4,-3.0 2,-0.2 5,-0.2 0.861 84.0 52.3 -68.5 -41.5 2.2 -25.0 -72.3 579 582 A A H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 107.6 50.6 -73.1 -38.0 3.8 -27.1 -75.0 580 583 A A H > S+ 0 0 37 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.853 113.0 47.6 -62.1 -38.4 1.4 -26.0 -77.8 581 584 A I H X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.944 114.0 45.2 -70.4 -48.1 2.1 -22.3 -76.8 582 585 A E H X S+ 0 0 105 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.909 118.5 45.5 -58.4 -42.2 5.9 -22.8 -76.7 583 586 A A H X S+ 0 0 50 -4,-2.8 4,-3.5 -5,-0.2 -2,-0.2 0.911 113.4 47.3 -65.4 -47.3 5.6 -24.7 -80.1 584 587 A K H X S+ 0 0 58 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.813 109.2 54.8 -68.2 -27.6 3.2 -22.1 -81.7 585 588 A M H X S+ 0 0 37 -4,-2.5 4,-3.8 2,-0.2 -1,-0.2 0.876 113.6 42.4 -64.3 -40.1 5.6 -19.3 -80.5 586 589 A Q H X S+ 0 0 120 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.930 112.5 52.1 -68.5 -47.3 8.3 -21.2 -82.4 587 590 A E H < S+ 0 0 81 -4,-3.5 4,-0.3 1,-0.2 -2,-0.2 0.811 119.0 39.4 -56.4 -35.6 5.9 -21.9 -85.4 588 591 A L H >< S+ 0 0 1 -4,-1.8 3,-1.3 -5,-0.2 4,-0.3 0.923 115.9 48.0 -73.7 -56.0 5.3 -18.1 -85.3 589 592 A A H >< S+ 0 0 56 -4,-3.8 3,-1.4 1,-0.3 -2,-0.2 0.837 103.8 62.3 -58.4 -35.3 8.9 -16.9 -84.6 590 593 A Q T 3< S+ 0 0 121 -4,-3.1 3,-0.4 1,-0.3 -1,-0.3 0.785 107.0 44.8 -58.3 -32.1 10.4 -19.2 -87.3 591 594 A V T < S+ 0 0 56 -3,-1.3 3,-0.3 -4,-0.3 -1,-0.3 0.383 99.3 72.0 -96.1 6.5 8.3 -17.3 -90.0 592 595 A S <> + 0 0 4 -3,-1.4 4,-3.1 -4,-0.3 5,-0.2 0.191 60.3 106.7-111.8 26.7 9.1 -13.8 -88.6 593 596 A Q H > S+ 0 0 172 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.930 91.2 35.1 -64.5 -48.5 12.8 -13.7 -89.8 594 597 A K H > S+ 0 0 85 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.769 116.3 56.0 -76.4 -29.4 12.0 -11.2 -92.6 595 598 A L H >> S+ 0 0 1 -4,-0.2 4,-2.8 1,-0.2 3,-0.7 0.934 106.7 49.6 -66.9 -46.4 9.3 -9.5 -90.4 596 599 A M H 3X S+ 0 0 83 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.860 105.2 57.8 -62.3 -34.8 11.9 -8.8 -87.6 597 600 A E H 3< S+ 0 0 117 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.810 111.8 42.6 -59.6 -34.1 14.3 -7.4 -90.3 598 601 A I H << S+ 0 0 38 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.871 113.9 49.2 -79.7 -43.3 11.6 -4.8 -91.2 599 602 A A H < 0 0 45 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.765 360.0 360.0 -64.8 -28.9 10.7 -4.2 -87.5 600 603 A Q < 0 0 186 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.603 360.0 360.0 -72.1 360.0 14.5 -3.7 -87.0