==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-99 1QQM . COMPND 2 MOLECULE: D199S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR E.R.JOHNSON,D.B.MCKAY . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 16.1 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 . 33 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 0 0 1 1 0 1 1 0 3 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 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 . 0 2 1 2 2 0 1 1 1 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 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 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 G 0 0 82 0, 0.0 2,-0.2 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 -54.2 16.2 17.0 -7.0 2 5 A P - 0 0 40 0, 0.0 135,-0.4 0, 0.0 2,-0.2 0.541 360.0-142.3 -65.3 164.8 18.2 18.8 -5.9 3 6 A A - 0 0 2 -2,-0.2 15,-0.5 15,-0.2 136,-0.3 -0.630 15.5-138.5 -93.3 157.2 17.4 17.9 -2.3 4 7 A V E -Ab 17 139A 0 134,-2.2 136,-2.1 -2,-0.2 2,-0.5 -0.741 3.9-133.4-118.0 166.4 17.6 20.6 0.4 5 8 A G E -Ab 16 140A 0 11,-2.4 11,-2.6 -2,-0.3 2,-0.5 -0.980 23.5-167.4-119.0 126.1 18.9 20.9 3.9 6 9 A I E -Ab 15 141A 0 134,-3.0 136,-1.8 -2,-0.5 2,-0.9 -0.960 17.6-155.2-122.5 130.8 16.6 22.6 6.5 7 10 A D E -A 14 0A 20 7,-3.3 7,-1.8 -2,-0.5 2,-1.5 -0.880 13.4-160.7 -97.3 103.1 17.5 23.8 10.0 8 11 A L - 0 0 8 -2,-0.9 5,-0.2 134,-0.5 113,-0.0 -0.702 25.8-165.1 -87.8 87.2 14.1 23.7 11.7 9 12 A G - 0 0 9 -2,-1.5 59,-0.2 3,-0.4 4,-0.1 -0.231 33.8-119.3 -79.0 162.9 15.1 26.1 14.5 10 13 A T S S+ 0 0 17 1,-0.1 56,-0.7 58,-0.1 58,-0.3 0.928 112.7 0.8 -62.4 -44.3 13.5 26.9 17.8 11 14 A T S S+ 0 0 11 1,-0.3 26,-2.2 54,-0.1 2,-0.3 0.663 137.6 28.5-119.2 -24.0 13.1 30.5 16.8 12 15 A Y E -E 36 0B 59 24,-0.3 -3,-0.4 25,-0.1 -1,-0.3 -0.989 63.5-153.7-138.1 144.3 14.5 30.8 13.2 13 16 A S E -E 35 0B 0 22,-3.6 22,-2.9 -2,-0.3 2,-0.3 -0.836 9.5-166.2-116.4 158.8 14.6 28.3 10.4 14 17 A C E -A 7 0A 0 -7,-1.8 -7,-3.3 -2,-0.3 2,-0.4 -0.999 4.7-161.2-146.7 141.9 17.1 28.1 7.5 15 18 A V E +A 6 0A 0 11,-0.4 11,-2.0 18,-0.4 2,-0.3 -0.987 11.7 176.2-129.1 137.0 17.2 26.3 4.2 16 19 A G E -AC 5 25A 0 -11,-2.6 -11,-2.4 -2,-0.4 2,-0.4 -0.882 14.0-153.6-132.9 165.0 20.2 25.6 1.9 17 20 A V E -AC 4 24A 0 7,-1.6 7,-2.9 -2,-0.3 2,-0.6 -0.993 13.3-138.0-144.4 133.6 20.9 23.7 -1.3 18 21 A F E + C 0 23A 66 -15,-0.5 2,-0.3 353,-0.5 5,-0.2 -0.827 35.6 155.0 -95.4 117.1 24.2 22.3 -2.5 19 22 A Q E > + C 0 22A 72 3,-3.1 3,-1.9 -2,-0.6 -2,-0.1 -0.996 62.1 4.4-143.7 142.0 24.9 22.8 -6.2 20 23 A H T 3 S- 0 0 183 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.901 129.7 -57.3 49.6 49.1 28.1 22.9 -8.2 21 24 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.472 120.6 98.9 65.4 4.9 30.2 22.0 -5.1 22 25 A K E < -C 19 0A 147 -3,-1.9 -3,-3.1 -5,-0.0 2,-0.4 -0.935 68.6-129.4-127.1 147.1 28.8 25.0 -3.2 23 26 A V E -C 18 0A 21 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.783 16.8-156.2 -94.5 132.8 26.1 25.6 -0.7 24 27 A E E -C 17 0A 75 -7,-2.9 -7,-1.6 -2,-0.4 2,-0.8 -0.945 5.8-151.6-110.2 112.8 23.6 28.3 -1.3 25 28 A I E -C 16 0A 6 -2,-0.6 2,-0.4 -9,-0.2 -9,-0.2 -0.794 29.9-131.3 -84.1 115.1 21.9 29.6 1.8 26 29 A I - 0 0 3 -11,-2.0 -11,-0.4 -2,-0.8 2,-0.2 -0.562 11.1-142.3 -81.3 124.6 18.5 30.7 0.4 27 30 A A - 0 0 46 -2,-0.4 6,-0.2 1,-0.1 8,-0.1 -0.545 20.7-130.6 -80.8 144.3 17.0 34.2 1.0 28 31 A N > - 0 0 12 4,-2.4 3,-2.6 -2,-0.2 -1,-0.1 -0.104 40.3 -75.7 -85.0-173.4 13.3 34.4 1.5 29 32 A D T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.723 135.2 48.3 -56.9 -24.0 10.8 36.8 -0.2 30 33 A Q T 3 S- 0 0 104 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.320 121.7-107.1 -98.1 6.1 12.0 39.6 2.2 31 34 A G S < S+ 0 0 51 -3,-2.6 2,-0.4 1,-0.3 -2,-0.1 0.662 73.1 140.8 79.2 16.1 15.6 38.9 1.4 32 35 A N - 0 0 67 1,-0.1 -4,-2.4 -6,-0.0 -1,-0.3 -0.798 47.9-150.0 -97.7 134.2 16.3 37.3 4.8 33 36 A R S S+ 0 0 109 -2,-0.4 -18,-0.4 -6,-0.2 2,-0.3 0.534 86.1 41.3 -77.7 -9.4 18.6 34.2 5.0 34 37 A T S S- 0 0 13 -20,-0.1 -20,-0.2 -9,-0.1 -6,-0.2 -0.963 75.5-148.4-135.2 151.5 16.7 32.9 8.0 35 38 A T E -E 13 0B 2 -22,-2.9 -22,-3.6 -2,-0.3 14,-0.1 -0.980 25.2-105.5-127.9 133.5 13.0 32.8 8.7 36 39 A P E -E 12 0B 3 0, 0.0 2,-2.0 0, 0.0 -24,-0.3 -0.273 25.0-129.3 -55.9 134.3 11.1 33.1 12.0 37 40 A S + 0 0 12 -26,-2.2 30,-0.4 11,-0.1 29,-0.3 -0.380 69.0 128.3 -81.9 57.1 9.7 29.7 13.1 38 41 A Y - 0 0 8 -2,-2.0 11,-2.3 27,-0.1 2,-0.3 -0.847 40.1-174.2-118.2 152.9 6.3 31.5 13.6 39 42 A V E -FG 48 64C 0 25,-2.0 25,-3.7 -2,-0.3 2,-0.3 -0.984 9.3-168.8-145.3 131.0 2.8 31.0 12.5 40 43 A A E -FG 47 63C 0 7,-2.9 7,-3.0 -2,-0.3 2,-0.4 -0.925 7.9-157.9-125.2 151.2 -0.2 33.4 13.0 41 44 A F E +F 46 0C 0 21,-1.8 2,-0.2 -2,-0.3 5,-0.2 -0.985 17.5 170.0-127.6 135.4 -3.9 33.1 12.6 42 45 A T - 0 0 33 3,-2.0 63,-2.3 -2,-0.4 64,-0.1 -0.672 54.1 -82.1-131.2-175.0 -6.3 36.1 12.1 43 46 A D S S+ 0 0 127 61,-0.2 61,-0.1 -2,-0.2 3,-0.1 0.739 127.8 18.0 -64.5 -20.8 -10.0 36.6 11.2 44 47 A T S S+ 0 0 104 1,-0.2 2,-0.3 61,-0.1 -1,-0.2 0.592 121.0 28.7-127.2 -16.4 -9.0 36.2 7.6 45 48 A E - 0 0 101 2,-0.0 -3,-2.0 0, 0.0 2,-0.5 -0.972 54.4-127.4-152.2 163.9 -5.6 34.6 7.1 46 49 A R E -F 41 0C 109 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.952 33.2-162.7-108.0 123.2 -2.8 32.3 8.2 47 50 A L E -F 40 0C 30 -7,-3.0 -7,-2.9 -2,-0.5 2,-0.3 -0.838 5.6-169.5-110.4 147.1 0.6 34.0 8.3 48 51 A I E > -F 39 0C 33 -2,-0.3 3,-0.9 -9,-0.2 -9,-0.2 -0.993 47.5 -17.1-138.7 143.8 4.0 32.3 8.4 49 52 A G T >> S+ 0 0 0 -11,-2.3 4,-2.6 -2,-0.3 3,-0.6 -0.451 127.2 3.6 71.3-133.4 7.5 33.4 8.9 50 53 A D H 3> S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 132.6 54.9 -54.7 -43.6 8.3 37.1 8.7 51 54 A A H <4 S+ 0 0 48 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 112.1 44.2 -60.9 -33.4 4.7 38.0 8.1 52 55 A A H X4 S+ 0 0 0 -3,-0.6 3,-1.1 -14,-0.2 4,-0.2 0.901 114.7 45.9 -79.1 -43.5 3.7 36.2 11.3 53 56 A K H >< S+ 0 0 32 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.822 103.8 64.7 -71.6 -26.6 6.4 37.6 13.5 54 57 A N T 3< S+ 0 0 127 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.590 109.5 38.2 -72.4 -7.3 5.9 41.1 12.2 55 58 A Q T X> S+ 0 0 23 -3,-1.1 3,-1.2 -4,-0.2 4,-1.1 0.258 83.1 106.1-122.8 11.3 2.4 41.2 13.7 56 59 A V T <4 S+ 0 0 16 -3,-1.1 3,-0.3 1,-0.2 7,-0.1 0.837 72.6 62.1 -59.6 -36.5 3.1 39.3 17.0 57 60 A A T 34 S+ 0 0 29 -4,-0.3 -1,-0.2 1,-0.2 201,-0.1 0.723 112.9 36.1 -63.7 -23.1 3.0 42.4 19.1 58 61 A M T <4 S+ 0 0 138 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.544 125.2 36.6-107.6 -11.9 -0.7 43.0 18.2 59 62 A N >< + 0 0 24 -4,-1.1 3,-0.6 -3,-0.3 4,-0.3 -0.356 65.4 149.7-138.6 56.1 -1.9 39.4 18.0 60 63 A P G > + 0 0 45 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.820 70.0 57.6 -58.2 -36.6 -0.1 37.6 20.9 61 64 A T G 3 S+ 0 0 77 1,-0.2 29,-0.4 -3,-0.1 -2,-0.0 0.812 115.4 32.7 -68.8 -31.8 -2.9 35.1 21.5 62 65 A N G < S+ 0 0 25 -3,-0.6 -21,-1.8 27,-0.1 2,-0.6 0.172 94.6 96.9-113.5 17.6 -3.0 33.6 18.0 63 66 A T E < -G 40 0C 0 -3,-0.6 2,-0.4 -4,-0.3 -23,-0.3 -0.942 62.2-156.1-108.8 114.6 0.6 33.9 17.0 64 67 A V E +G 39 0C 0 -25,-3.7 -25,-2.0 -2,-0.6 2,-0.3 -0.741 24.8 147.4 -99.4 138.9 2.4 30.6 17.6 65 68 A F + 0 0 27 -2,-0.4 -27,-0.1 -27,-0.2 -54,-0.1 -0.866 50.4 52.6-149.5 179.3 6.1 30.0 18.2 66 69 A D > + 0 0 15 -56,-0.7 3,-1.7 -29,-0.3 4,-0.5 0.729 56.2 146.1 57.8 24.5 8.2 27.5 20.2 67 70 A A G >> + 0 0 9 -30,-0.4 4,-2.1 1,-0.3 3,-1.1 0.786 65.1 67.9 -60.4 -24.8 6.5 24.6 18.6 68 71 A K G 34 S+ 0 0 20 -58,-0.3 -1,-0.3 1,-0.3 -58,-0.1 0.748 91.4 59.9 -67.0 -23.2 9.8 22.8 18.9 69 72 A R G <4 S+ 0 0 28 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.680 114.2 36.1 -77.5 -17.2 9.5 22.8 22.7 70 73 A L T X4 S+ 0 0 1 -3,-1.1 3,-2.3 -4,-0.5 -2,-0.2 0.693 87.7 116.8-103.8 -28.2 6.3 20.8 22.4 71 74 A I T 3< S+ 0 0 2 -4,-2.1 3,-0.1 1,-0.3 84,-0.1 -0.166 88.4 2.1 -53.8 123.9 7.1 18.5 19.4 72 75 A G T 3 S+ 0 0 14 1,-0.3 -1,-0.3 26,-0.1 2,-0.2 0.491 106.6 118.0 80.0 3.2 7.2 14.9 20.3 73 76 A R < - 0 0 60 -3,-2.3 -1,-0.3 77,-0.1 2,-0.2 -0.657 62.2-119.7-104.9 159.8 6.2 15.4 23.9 74 77 A R > - 0 0 160 -2,-0.2 3,-1.8 23,-0.2 6,-0.2 -0.633 26.6-117.4 -92.2 153.2 3.2 14.4 26.1 75 78 A F T 3 S+ 0 0 33 21,-2.4 6,-0.1 1,-0.3 22,-0.1 0.901 114.8 51.5 -55.9 -45.0 0.9 16.9 27.7 76 79 A D T 3 S+ 0 0 127 20,-0.4 -1,-0.3 4,-0.1 2,-0.2 0.398 79.5 126.0 -76.5 5.1 1.8 15.7 31.2 77 80 A D <> - 0 0 49 -3,-1.8 4,-2.4 1,-0.1 3,-0.3 -0.474 67.6-129.2 -64.5 129.8 5.5 16.1 30.4 78 81 A A H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.873 106.4 50.8 -48.5 -47.1 7.0 18.4 33.1 79 82 A V H > S+ 0 0 36 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.893 109.8 50.6 -61.9 -40.1 8.7 20.7 30.6 80 83 A V H > S+ 0 0 0 -3,-0.3 4,-2.1 -6,-0.2 -2,-0.2 0.943 111.5 47.4 -63.9 -46.4 5.5 21.1 28.7 81 84 A Q H X S+ 0 0 71 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.859 114.6 48.0 -62.5 -34.8 3.5 22.0 31.8 82 85 A S H >< S+ 0 0 61 -4,-2.2 3,-0.6 -5,-0.2 4,-0.3 0.925 111.7 47.8 -72.1 -45.5 6.3 24.4 32.8 83 86 A D H >X S+ 0 0 5 -4,-2.9 3,-2.3 1,-0.2 4,-0.7 0.856 98.2 68.3 -65.0 -38.3 6.5 26.2 29.4 84 87 A M H >< S+ 0 0 34 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.816 90.2 64.6 -51.6 -34.8 2.8 26.7 29.0 85 88 A K T << S+ 0 0 172 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.725 105.4 45.2 -63.7 -20.1 2.8 29.2 31.8 86 89 A H T <4 S+ 0 0 150 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.581 93.1 91.6-101.3 -11.4 5.0 31.5 29.8 87 90 A W << - 0 0 24 -4,-0.7 4,-0.1 -3,-0.7 -23,-0.0 -0.660 63.9-146.6 -90.8 141.1 3.3 31.3 26.4 88 91 A P S S+ 0 0 60 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.572 82.3 73.4 -76.3 -12.3 0.6 33.9 25.3 89 92 A F S S- 0 0 9 -26,-0.1 2,-0.3 -24,-0.1 -2,-0.1 -0.672 89.7-102.7-102.7 159.7 -1.2 31.1 23.3 90 93 A M E -H 101 0D 99 11,-0.9 11,-2.6 -29,-0.4 2,-0.5 -0.591 24.1-165.4 -85.8 142.0 -3.2 28.2 24.6 91 94 A V E -H 100 0D 19 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.997 16.6-172.9-124.2 125.2 -2.0 24.6 24.8 92 95 A V E -H 99 0D 34 7,-3.3 7,-1.7 -2,-0.5 2,-0.6 -0.751 23.7-113.7-118.3 165.6 -4.7 22.0 25.4 93 96 A N E +H 98 0D 80 -2,-0.3 2,-0.5 5,-0.2 -19,-0.0 -0.877 27.5 177.1-105.6 120.2 -4.7 18.3 26.1 94 97 A D E > S-H 97 0D 70 3,-2.4 3,-1.3 -2,-0.6 -19,-0.1 -0.892 79.1 -32.4-122.9 99.0 -6.2 15.9 23.5 95 98 A A T 3 S- 0 0 95 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.795 123.5 -49.5 62.6 30.3 -5.9 12.3 24.6 96 99 A G T 3 S+ 0 0 15 1,-0.3 -21,-2.4 -22,-0.1 -20,-0.4 0.423 116.8 109.3 92.0 -1.5 -2.6 13.0 26.4 97 100 A A E < S-H 94 0D 29 -3,-1.3 -3,-2.4 -23,-0.2 -1,-0.3 -0.881 70.3-113.3-111.8 140.7 -1.0 14.9 23.5 98 101 A P E +H 93 0D 3 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.463 34.5 176.2 -72.1 139.0 -0.3 18.7 23.4 99 102 A K E -H 92 0D 19 -7,-1.7 -7,-3.3 13,-0.2 2,-0.4 -0.994 27.1-130.5-142.0 135.4 -2.1 20.9 20.9 100 103 A V E -HI 91 111D 0 11,-2.2 11,-2.3 -2,-0.3 2,-0.5 -0.715 24.2-150.8 -86.3 138.6 -1.9 24.6 20.5 101 104 A Q E +HI 90 110D 54 -11,-2.6 -11,-0.9 -2,-0.4 2,-0.3 -0.939 24.8 157.6-113.9 132.1 -5.4 26.2 20.3 102 105 A V E - I 0 109D 3 7,-2.8 7,-3.0 -2,-0.5 2,-0.5 -0.877 41.2-106.0-142.6 172.3 -6.0 29.4 18.4 103 106 A E E + I 0 108D 72 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.907 36.4 174.3-105.2 130.9 -8.8 31.4 16.7 104 107 A Y E > - I 0 107D 35 3,-3.0 3,-2.3 -2,-0.5 -61,-0.2 -0.991 69.9 -10.3-138.5 127.7 -8.8 31.4 12.9 105 108 A K T 3 S- 0 0 117 -63,-2.3 -62,-0.2 -2,-0.4 3,-0.1 0.878 129.4 -55.6 49.8 42.3 -11.6 32.9 10.8 106 109 A G T 3 S+ 0 0 44 1,-0.2 2,-0.3 -64,-0.1 -1,-0.3 0.391 119.3 103.1 75.6 -4.0 -13.7 33.4 13.9 107 110 A E E < S-I 104 0D 128 -3,-2.3 -3,-3.0 -64,-0.1 2,-0.3 -0.841 73.3-115.6-114.8 151.2 -13.5 29.7 14.9 108 111 A T E +I 103 0D 76 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.642 40.7 170.4 -82.0 134.8 -11.5 27.8 17.5 109 112 A K E -I 102 0D 74 -7,-3.0 -7,-2.8 -2,-0.3 2,-0.3 -0.964 19.1-152.0-142.4 156.7 -9.0 25.4 16.1 110 113 A S E -I 101 0D 39 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.971 7.4-164.6-132.0 148.7 -6.1 23.3 17.5 111 114 A F E -I 100 0D 21 -11,-2.3 -11,-2.2 -2,-0.3 -2,-0.0 -0.982 21.9-120.9-133.4 144.1 -3.0 22.0 15.9 112 115 A Y >> - 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0 0 75 -2,-0.6 2,-0.6 -6,-0.3 -7,-0.2 -0.480 6.9-144.4 -76.5 150.4 8.8 58.9 21.0 290 293 A F E +N 281 0F 7 -9,-3.5 -9,-2.4 -2,-0.1 2,-0.6 -0.881 25.5 168.1-120.9 98.7 11.8 57.1 22.5 291 294 A Y E +N 280 0F 128 -2,-0.6 -11,-0.2 -11,-0.2 2,-0.2 -0.950 25.6 112.4-112.6 118.3 15.1 58.1 21.0 292 295 A T E -N 279 0F 31 -13,-3.0 -13,-2.3 -2,-0.6 2,-0.3 -0.768 43.7-134.8-157.8-160.1 18.2 57.0 22.8 293 296 A S E -N 278 0F 64 -15,-0.3 2,-0.3 -2,-0.2 -15,-0.2 -0.971 2.9-143.5-163.4 173.1 21.2 54.6 22.3 294 297 A I E -N 277 0F 5 -17,-2.4 -17,-2.3 -2,-0.3 2,-0.2 -0.997 13.8-132.8-150.1 145.2 23.3 52.0 23.9 295 298 A T E > -N 276 0F 67 -2,-0.3 4,-2.7 -19,-0.2 -19,-0.3 -0.620 24.2-120.3 -97.2 158.2 27.0 51.0 23.8 296 299 A R H > S+ 0 0 52 -21,-2.7 4,-3.0 -2,-0.2 5,-0.2 0.910 116.9 54.6 -60.0 -42.0 28.4 47.5 23.4 297 300 A A H > S+ 0 0 65 -22,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.944 109.3 46.2 -56.2 -50.8 30.1 48.0 26.8 298 301 A R H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 112.7 50.9 -56.0 -50.4 26.7 48.7 28.4 299 302 A F H X S+ 0 0 4 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.904 110.0 49.6 -54.6 -46.6 25.1 45.8 26.5 300 303 A E H X S+ 0 0 41 -4,-3.0 4,-0.7 1,-0.2 3,-0.4 0.893 110.8 50.0 -63.3 -39.8 27.9 43.4 27.8 301 304 A E H >< S+ 0 0 127 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.901 105.5 55.4 -66.7 -40.7 27.4 44.6 31.4 302 305 A L H 3< S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.749 123.0 29.0 -62.5 -22.7 23.7 44.1 31.3 303 306 A N H 3X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.4 3,-0.4 0.299 82.5 118.9-120.2 6.9 24.3 40.5 30.3 304 307 A A H S+ 0 0 93 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.894 113.2 49.6 -63.6 -42.2 26.4 37.0 34.1 306 309 A L H 4 S+ 0 0 35 -3,-0.4 4,-0.4 2,-0.2 -2,-0.2 0.918 114.3 45.6 -64.4 -43.1 24.5 35.3 31.3 307 310 A F H >< S+ 0 0 1 -4,-2.8 3,-1.9 -7,-0.2 4,-0.3 0.967 114.0 46.8 -63.4 -54.7 27.5 35.4 29.0 308 311 A R H >< S+ 0 0 158 -4,-2.7 3,-1.7 1,-0.3 4,-0.2 0.833 103.0 66.3 -57.9 -33.2 30.0 34.2 31.5 309 312 A G T >< S+ 0 0 28 -4,-2.0 3,-1.2 1,-0.3 -1,-0.3 0.659 81.0 77.3 -64.9 -16.4 27.6 31.4 32.5 310 313 A T T <> S+ 0 0 1 -3,-1.9 4,-0.7 -4,-0.4 -1,-0.3 0.705 84.7 66.4 -67.3 -17.1 27.9 29.8 29.1 311 314 A L H <> S+ 0 0 19 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.2 0.704 86.5 66.6 -78.2 -20.8 31.3 28.4 30.2 312 315 A D H <> S+ 0 0 106 -3,-1.2 4,-2.8 -4,-0.2 5,-0.2 0.970 101.8 46.0 -65.6 -50.9 29.9 26.1 32.9 313 316 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.804 110.7 56.4 -60.1 -28.1 28.1 23.8 30.4 314 317 A V H X S+ 0 0 0 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.930 109.8 43.9 -68.1 -44.9 31.4 23.9 28.4 315 318 A E H X S+ 0 0 84 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.918 115.3 48.9 -64.7 -43.6 33.3 22.6 31.4 316 319 A K H X S+ 0 0 99 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.867 108.5 52.8 -65.3 -37.2 30.7 20.0 32.2 317 320 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.940 111.2 47.5 -63.3 -45.8 30.5 18.8 28.6 318 321 A L H X>S+ 0 0 8 -4,-2.0 5,-2.4 2,-0.2 4,-0.7 0.945 112.5 48.9 -58.4 -50.8 34.3 18.3 28.7 319 322 A R H ><5S+ 0 0 139 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.935 113.5 46.3 -56.1 -48.8 34.2 16.5 32.0 320 323 A D H 3<5S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 111.5 51.4 -66.6 -27.2 31.4 14.2 30.8 321 324 A A H 3<5S- 0 0 6 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.545 111.4-125.2 -84.0 -7.6 33.2 13.5 27.6 322 325 A K T <<5 + 0 0 166 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.918 68.6 125.0 63.0 45.7 36.2 12.6 29.7 323 326 A L < - 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0 0 5 -3,-2.0 4,-1.8 1,-0.2 3,-0.8 -0.531 68.8-142.8 -68.8 117.9 28.4 38.5 20.0 341 344 A P H 3> S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.839 97.4 55.3 -50.3 -41.2 32.1 39.5 20.4 342 345 A K H 3> S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.855 107.0 50.2 -64.3 -35.5 32.0 39.1 24.2 343 346 A I H <> S+ 0 0 1 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.887 110.2 49.5 -70.6 -38.4 30.9 35.5 23.9 344 347 A Q H X S+ 0 0 41 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.918 111.4 50.0 -65.6 -40.7 33.6 34.7 21.4 345 348 A K H X S+ 0 0 103 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.952 110.9 49.0 -60.6 -50.7 36.2 36.3 23.7 346 349 A L H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.911 115.0 43.8 -54.7 -48.1 34.9 34.3 26.7 347 350 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.921 116.0 47.2 -66.3 -45.2 35.0 31.0 24.8 348 351 A Q H <>S+ 0 0 53 -4,-2.8 5,-1.9 -5,-0.2 6,-0.6 0.932 111.9 49.6 -63.8 -45.9 38.3 31.7 23.2 349 352 A D H ><5S+ 0 0 78 -4,-3.4 3,-1.9 1,-0.2 -1,-0.2 0.911 108.9 53.5 -58.8 -42.7 39.9 32.8 26.5 350 353 A F H 3<5S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.881 110.9 46.4 -59.4 -37.2 38.6 29.7 28.2 351 354 A F T ><5S- 0 0 11 -4,-1.8 3,-1.4 3,-0.2 -1,-0.3 0.081 121.0-112.8 -93.5 24.2 40.3 27.7 25.4 352 355 A N T < 5S- 0 0 127 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.857 76.1 -39.7 48.5 52.5 43.4 29.7 25.9 353 356 A G T 3 > - 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