==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACTING ON ACID ANHYDRIDES) 17-MAY-94 1NGH . COMPND 2 MOLECULE: HEAT-SHOCK COGNATE 70 KD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.M.FLAHERTY,S.M.WILBANKS,C.DELUCA-FLAHERTY,D.B.MCKAY . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 78.0 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 . 62 16.4 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 . 8 2.1 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 . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 31.2 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 2 0 1 0 0 1 1 1 1 1 1 0 0 0 1 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 1 3 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 . 1 2 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 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 67 0, 0.0 137,-0.2 0, 0.0 136,-0.1 0.000 360.0 360.0 360.0 155.7 15.2 19.5 -8.8 2 5 A P - 0 0 39 0, 0.0 135,-0.4 0, 0.0 2,-0.3 -0.227 360.0-113.1 -66.0 156.1 18.1 19.6 -6.2 3 6 A A - 0 0 9 15,-0.2 15,-0.5 133,-0.1 2,-0.3 -0.677 36.3-145.0 -86.2 146.2 17.7 18.3 -2.7 4 7 A V E -Ab 17 139A 0 134,-1.8 136,-2.0 -2,-0.3 2,-0.5 -0.749 6.1-130.8-115.2 162.7 17.9 21.1 -0.1 5 8 A G E -Ab 16 140A 0 11,-3.0 11,-2.8 -2,-0.3 2,-0.4 -0.958 25.5-165.7-112.9 129.4 19.3 21.3 3.4 6 9 A I E -Ab 15 141A 0 134,-3.1 136,-1.7 -2,-0.5 2,-0.7 -0.961 17.9-159.1-126.3 131.7 17.1 22.9 6.1 7 10 A N E -A 14 0A 21 7,-2.9 7,-2.2 -2,-0.4 2,-0.9 -0.920 12.4-165.6-102.1 111.5 17.9 24.1 9.6 8 11 A L E -A 13 0A 12 -2,-0.7 5,-0.2 134,-0.4 2,-0.1 -0.854 21.7-177.4-100.2 93.3 14.6 24.1 11.6 9 12 A G - 0 0 11 -2,-0.9 59,-0.2 3,-0.9 57,-0.1 -0.443 39.7-113.8 -95.2 170.3 15.4 26.2 14.6 10 13 A T S S+ 0 0 15 -2,-0.1 56,-0.8 1,-0.1 58,-0.2 0.878 114.5 9.7 -65.6 -39.5 13.6 27.3 17.7 11 14 A T S S+ 0 0 12 1,-0.3 26,-2.3 54,-0.1 2,-0.3 0.710 135.4 22.0-111.3 -33.2 13.5 31.0 16.7 12 15 A Y E - C 0 36A 51 24,-0.3 -3,-0.9 25,-0.1 2,-0.3 -0.953 59.7-153.6-137.4 155.3 14.7 31.1 13.1 13 16 A S E -AC 8 35A 0 22,-2.6 22,-2.5 -2,-0.3 2,-0.3 -0.912 11.1-166.3-126.3 153.8 14.9 28.6 10.2 14 17 A C E -A 7 0A 0 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.4 -0.999 5.9-156.4-144.6 143.7 17.4 28.6 7.2 15 18 A V E +A 6 0A 1 11,-0.5 11,-2.2 18,-0.4 2,-0.3 -0.978 13.5 176.5-128.2 130.1 17.5 26.8 3.9 16 19 A G E -AD 5 25A 0 -11,-2.8 -11,-3.0 -2,-0.4 2,-0.4 -0.881 12.0-156.1-127.4 161.1 20.6 26.1 1.8 17 20 A V E -AD 4 24A 1 7,-2.4 7,-3.1 -2,-0.3 2,-0.6 -1.000 13.8-137.4-140.8 132.8 21.3 24.3 -1.5 18 21 A F E + D 0 23A 69 -15,-0.5 2,-0.3 353,-0.5 5,-0.2 -0.833 37.4 156.5 -91.2 122.5 24.4 22.7 -2.8 19 22 A Q E > - D 0 22A 85 3,-3.2 3,-1.1 -2,-0.6 -2,-0.1 -0.953 61.5 -1.0-151.4 124.5 24.9 23.5 -6.5 20 23 A H T 3 S- 0 0 157 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.893 126.2 -58.2 65.6 42.7 28.1 23.5 -8.6 21 24 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 351,-0.0 -1,-0.3 0.282 122.4 97.6 73.9 -12.8 30.4 22.7 -5.7 22 25 A K E < -D 19 0A 145 -3,-1.1 -3,-3.2 350,-0.0 2,-0.5 -0.795 69.4-134.2-110.4 149.6 29.1 25.7 -3.9 23 26 A V E -D 18 0A 23 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.888 18.2-157.7-102.7 131.4 26.5 26.0 -1.2 24 27 A E E -D 17 0A 76 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.7 -0.923 8.4-147.7-111.3 129.4 24.0 28.8 -1.5 25 28 A I E -D 16 0A 5 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.914 25.9-135.8 -97.5 114.3 22.0 30.1 1.5 26 29 A I - 0 0 5 -11,-2.2 -11,-0.5 -2,-0.7 2,-0.2 -0.583 13.0-148.4 -78.9 122.2 18.7 31.2 0.1 27 30 A A - 0 0 41 -2,-0.4 6,-0.3 1,-0.1 5,-0.1 -0.490 16.3-123.5 -84.8 157.3 17.2 34.5 1.2 28 31 A N > - 0 0 16 4,-2.7 3,-2.1 6,-0.2 -1,-0.1 -0.181 38.7 -78.6 -90.2-172.9 13.4 35.1 1.5 29 32 A D T 3 S+ 0 0 138 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.850 132.3 50.5 -53.6 -43.4 11.0 37.7 0.0 30 33 A Q T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.414 120.7-111.3 -78.6 2.0 12.2 40.3 2.5 31 34 A G S < S+ 0 0 53 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.474 71.2 139.4 82.9 4.1 15.8 39.5 1.6 32 35 A N - 0 0 65 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.548 51.0-143.7 -82.2 145.7 16.7 37.9 4.9 33 36 A R S S+ 0 0 102 -6,-0.3 -18,-0.4 -2,-0.2 2,-0.3 0.502 89.0 36.7 -86.9 -5.5 18.9 34.8 4.9 34 37 A T S S- 0 0 14 -20,-0.1 -20,-0.2 -9,-0.1 -6,-0.2 -0.962 75.4-150.9-139.2 149.2 17.0 33.3 7.9 35 38 A T E -C 13 0A 6 -22,-2.5 -22,-2.6 -2,-0.3 14,-0.1 -0.987 27.5-100.4-127.2 141.2 13.3 33.6 8.6 36 39 A P E -C 12 0A 1 0, 0.0 2,-1.5 0, 0.0 -24,-0.3 -0.231 26.3-125.9 -56.2 141.6 11.5 33.5 12.0 37 40 A S + 0 0 14 -26,-2.3 2,-0.4 11,-0.1 30,-0.4 -0.404 68.7 131.5 -85.4 55.3 9.9 30.2 13.0 38 41 A Y - 0 0 17 -2,-1.5 11,-2.6 27,-0.1 2,-0.4 -0.902 37.9-173.9-116.0 142.6 6.6 32.1 13.5 39 42 A V E -FG 48 64B 0 25,-2.3 25,-3.1 -2,-0.4 2,-0.4 -0.999 9.3-171.1-133.5 130.7 3.1 31.3 12.3 40 43 A A E -FG 47 63B 0 7,-3.0 7,-3.2 -2,-0.4 2,-0.4 -0.984 8.3-156.6-128.7 140.9 0.2 33.7 12.9 41 44 A F E +F 46 0B 0 21,-2.2 5,-0.2 -2,-0.4 2,-0.2 -0.929 19.6 166.9-117.5 135.0 -3.6 33.3 12.3 42 45 A T - 0 0 28 3,-2.8 63,-2.1 -2,-0.4 17,-0.0 -0.685 52.0 -86.2-131.7-172.4 -6.0 36.1 11.7 43 46 A D S S+ 0 0 114 -2,-0.2 64,-0.1 61,-0.2 3,-0.1 0.900 126.6 22.6 -65.9 -39.2 -9.6 36.9 10.6 44 47 A T S S+ 0 0 107 1,-0.1 2,-0.3 61,-0.0 -1,-0.1 0.734 124.2 8.7-103.0 -23.3 -8.5 36.9 6.9 45 48 A E - 0 0 99 2,-0.0 -3,-2.8 0, 0.0 2,-0.5 -0.894 53.9-115.7-153.8 178.7 -5.2 34.9 6.7 46 49 A R E -F 41 0B 127 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.990 34.7-162.7-120.6 114.8 -2.4 32.7 7.9 47 50 A L E -F 40 0B 31 -7,-3.2 -7,-3.0 -2,-0.5 2,-0.4 -0.877 5.5-170.5-103.1 142.8 1.0 34.5 8.0 48 51 A I E > -F 39 0B 36 -2,-0.4 3,-0.6 -9,-0.2 2,-0.3 -0.989 49.6 -9.2-134.4 139.8 4.3 32.6 8.2 49 52 A G T >> S- 0 0 0 -11,-2.6 4,-2.3 -2,-0.4 3,-0.6 -0.584 125.4 -0.8 85.2-138.0 7.8 33.9 8.8 50 53 A D H 3> S+ 0 0 20 -2,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.908 131.4 57.0 -56.3 -47.6 8.6 37.6 8.9 51 54 A A H <4 S+ 0 0 48 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.0 47.1 -54.1 -34.4 5.0 38.6 8.2 52 55 A A H X4 S+ 0 0 0 -3,-0.6 3,-1.6 -14,-0.2 4,-0.3 0.962 113.6 44.2 -73.8 -51.5 4.0 36.7 11.2 53 56 A K H >< S+ 0 0 51 -4,-2.3 3,-1.1 1,-0.3 4,-0.3 0.835 102.4 69.0 -64.3 -30.6 6.7 38.0 13.6 54 57 A N T 3< S+ 0 0 106 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.1 0.376 108.9 34.9 -70.3 4.9 6.0 41.6 12.3 55 58 A Q T X> S+ 0 0 29 -3,-1.6 4,-2.3 -5,-0.1 3,-1.8 0.317 77.9 113.4-140.3 10.1 2.6 41.6 14.0 56 59 A V T <4 S+ 0 0 21 -3,-1.1 7,-0.1 -4,-0.3 6,-0.1 0.851 77.0 56.0 -52.4 -43.1 3.0 39.5 17.2 57 60 A A T 34 S+ 0 0 27 -4,-0.3 -1,-0.3 1,-0.2 201,-0.1 0.686 113.5 42.6 -65.5 -18.4 2.4 42.6 19.5 58 61 A M T <4 S+ 0 0 141 -3,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.807 127.1 29.1 -95.1 -36.3 -0.9 43.1 17.7 59 62 A N S >< S+ 0 0 26 -4,-2.3 3,-0.5 1,-0.1 4,-0.4 -0.424 71.5 150.9-125.0 59.5 -1.9 39.4 17.6 60 63 A P G > S+ 0 0 41 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.842 72.3 47.2 -58.9 -42.6 -0.3 37.7 20.7 61 64 A T G 3 S+ 0 0 81 1,-0.2 29,-0.4 28,-0.1 40,-0.1 0.732 117.1 43.4 -76.3 -20.4 -2.8 35.0 21.4 62 65 A N G < S+ 0 0 23 -3,-0.5 -21,-2.2 -6,-0.1 2,-0.6 0.274 92.6 93.3-107.5 9.6 -3.0 33.9 17.7 63 66 A T E < -G 40 0B 0 -3,-0.7 2,-0.4 -4,-0.4 -23,-0.2 -0.926 61.6-160.0-107.8 113.0 0.8 34.0 17.0 64 67 A V E +G 39 0B 1 -25,-3.1 -25,-2.3 -2,-0.6 2,-0.3 -0.771 23.2 144.5 -97.5 140.4 2.5 30.7 17.5 65 68 A F + 0 0 25 -2,-0.4 -27,-0.1 -27,-0.2 -54,-0.1 -0.868 47.4 57.2-155.5-179.9 6.3 30.1 18.1 66 69 A D >> + 0 0 18 -56,-0.8 3,-1.7 -29,-0.3 4,-0.6 0.685 57.1 144.9 59.1 22.3 8.5 27.7 20.1 67 70 A A H >> + 0 0 10 -30,-0.4 4,-2.7 1,-0.3 3,-0.7 0.778 62.4 69.0 -61.3 -24.8 6.9 24.7 18.4 68 71 A K H 34 S+ 0 0 28 1,-0.2 -1,-0.3 -58,-0.2 -58,-0.1 0.817 94.0 56.5 -64.1 -28.1 10.3 23.1 18.5 69 72 A R H <4 S+ 0 0 28 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.785 114.3 38.3 -73.7 -26.3 9.9 22.8 22.3 70 73 A L H X< S+ 0 0 2 -3,-0.7 3,-2.1 -4,-0.6 -2,-0.2 0.865 86.1 115.2 -88.9 -44.4 6.6 20.9 21.9 71 74 A I T 3< S+ 0 0 3 -4,-2.7 80,-0.1 1,-0.3 3,-0.1 0.104 89.4 0.4 -34.3 130.5 7.4 18.6 18.9 72 75 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.3 78,-0.2 79,-0.2 0.506 109.3 115.9 63.8 8.3 7.4 14.9 19.6 73 76 A R < - 0 0 56 -3,-2.1 2,-0.3 77,-0.1 -1,-0.2 -0.529 62.1-118.5-105.8 168.2 6.6 15.5 23.3 74 77 A R > - 0 0 147 -2,-0.2 3,-1.3 23,-0.2 6,-0.3 -0.775 18.3-124.2-105.9 154.7 3.6 14.7 25.6 75 78 A F T 3 S+ 0 0 35 21,-3.2 6,-0.2 -2,-0.3 22,-0.1 0.895 112.0 57.8 -60.7 -42.5 1.3 17.0 27.4 76 79 A D T 3 S+ 0 0 83 20,-0.4 -1,-0.3 4,-0.1 2,-0.2 0.607 80.7 121.5 -65.2 -10.3 2.1 15.4 30.7 77 80 A D <> - 0 0 47 -3,-1.3 4,-2.5 1,-0.2 5,-0.2 -0.345 66.6-138.5 -60.3 125.0 5.8 16.2 30.1 78 81 A A H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.788 105.0 58.6 -53.9 -30.9 7.2 18.4 32.9 79 82 A V H > S+ 0 0 54 2,-0.2 4,-2.9 1,-0.2 3,-0.4 0.981 107.4 44.4 -62.4 -54.7 9.0 20.4 30.2 80 83 A V H > S+ 0 0 0 -6,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.916 111.6 54.0 -55.8 -47.8 5.7 21.2 28.5 81 84 A Q H < S+ 0 0 65 -4,-2.5 4,-0.3 -6,-0.2 -1,-0.2 0.844 113.5 41.7 -57.4 -38.9 4.0 22.1 31.8 82 85 A S H >< S+ 0 0 61 -4,-1.8 3,-1.1 -3,-0.4 -2,-0.2 0.942 115.8 49.4 -74.2 -47.6 6.8 24.5 32.7 83 86 A D H >< S+ 0 0 8 -4,-2.9 3,-2.4 1,-0.2 4,-0.4 0.913 99.6 62.8 -59.0 -49.9 7.0 26.1 29.3 84 87 A M G >< S+ 0 0 58 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.669 85.8 76.0 -54.9 -16.3 3.3 26.7 28.7 85 88 A K G < S+ 0 0 157 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.520 102.7 40.6 -72.2 -4.3 3.3 29.1 31.6 86 89 A H G < S+ 0 0 143 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.478 89.5 98.9-121.3 -8.8 5.1 31.6 29.3 87 90 A W < - 0 0 22 -3,-0.5 4,-0.1 -4,-0.4 -23,-0.1 -0.690 59.6-149.9 -86.4 133.2 3.3 31.2 26.0 88 91 A P S S+ 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.485 80.0 74.4 -76.0 -4.9 0.6 33.8 25.1 89 92 A F S S- 0 0 10 -24,-0.1 2,-0.3 -27,-0.1 -2,-0.1 -0.706 91.8 -97.5-105.5 162.5 -1.1 31.1 23.0 90 93 A M E -H 101 0C 102 11,-1.0 11,-2.9 -29,-0.4 2,-0.5 -0.632 25.8-166.0 -87.1 136.6 -3.1 28.1 24.3 91 94 A V E -H 100 0C 19 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.979 16.5-176.3-121.0 114.2 -1.8 24.6 24.7 92 95 A V E -H 99 0C 31 7,-3.2 7,-2.2 -2,-0.5 2,-0.6 -0.654 26.1-113.8-107.2 168.3 -4.5 22.0 25.1 93 96 A N E -H 98 0C 85 -2,-0.2 2,-0.8 5,-0.2 -19,-0.0 -0.905 24.9-176.8-109.5 113.7 -4.4 18.3 25.8 94 97 A D E > S-H 97 0C 70 3,-3.3 3,-1.8 -2,-0.6 -19,-0.1 -0.833 76.9 -44.3-111.2 91.0 -5.7 15.9 23.1 95 98 A A T 3 S- 0 0 102 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.853 121.5 -41.4 55.5 41.4 -5.5 12.4 24.4 96 99 A G T 3 S+ 0 0 13 1,-0.3 -21,-3.2 -22,-0.0 -20,-0.4 0.003 119.6 106.1 99.3 -29.7 -2.0 13.0 25.8 97 100 A R E < S-H 94 0C 90 -3,-1.8 -3,-3.3 -23,-0.2 -1,-0.3 -0.631 70.6-124.6 -85.6 139.0 -0.7 14.9 22.9 98 101 A P E -H 93 0C 2 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.586 28.2-168.2 -81.7 148.1 -0.3 18.7 23.3 99 102 A K E -H 92 0C 22 -7,-2.2 -7,-3.2 -2,-0.2 2,-0.3 -0.999 20.3-130.4-140.9 137.1 -2.0 21.0 20.8 100 103 A V E -HI 91 111C 1 11,-2.3 11,-2.3 -2,-0.4 2,-0.5 -0.672 25.5-151.2 -82.8 138.4 -1.7 24.7 20.1 101 104 A Q E +HI 90 110C 60 -11,-2.9 -11,-1.0 -2,-0.3 2,-0.3 -0.946 22.9 162.9-121.2 117.6 -5.1 26.4 20.0 102 105 A V E - I 0 109C 5 7,-2.6 7,-3.3 -2,-0.5 2,-0.6 -0.794 38.6-119.2-126.4 168.1 -5.8 29.5 17.9 103 106 A E E - I 0 108C 86 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.947 33.4-179.9-110.4 112.8 -8.7 31.5 16.5 104 107 A Y E > - I 0 107C 21 3,-3.0 3,-1.6 -2,-0.6 -61,-0.2 -0.978 69.3 -14.8-118.8 122.2 -8.5 31.5 12.7 105 108 A K T 3 S- 0 0 113 -63,-2.1 -1,-0.2 -2,-0.5 -62,-0.2 0.935 126.0 -57.1 53.8 48.7 -11.2 33.4 10.7 106 109 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.224 119.7 108.4 71.6 -19.9 -13.4 33.6 13.8 107 110 A E E < S-I 104 0C 127 -3,-1.6 -3,-3.0 -64,-0.1 2,-0.4 -0.745 72.9-121.5 -94.2 139.2 -13.4 29.8 14.1 108 111 A T E +I 103 0C 92 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.644 39.1 171.8 -80.6 126.1 -11.5 28.1 16.9 109 112 A K E -I 102 0C 82 -7,-3.3 -7,-2.6 -2,-0.4 2,-0.3 -0.909 17.6-159.2-133.2 156.8 -8.8 25.7 15.6 110 113 A S E -I 101 0C 41 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.994 7.6-163.9-137.1 146.6 -6.0 23.6 17.1 111 114 A F E -I 100 0C 34 -11,-2.3 -11,-2.3 -2,-0.3 -2,-0.0 -0.900 22.6-116.9-131.2 155.7 -2.9 22.1 15.6 112 115 A Y >> - 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0 0 7 -3,-1.7 4,-1.6 1,-0.1 3,-0.9 -0.595 69.8-143.2 -71.9 121.6 28.7 38.9 19.7 341 344 A P H 3> S+ 0 0 37 0, 0.0 4,-2.7 0, 0.0 3,-0.2 0.889 96.8 54.3 -48.8 -52.1 32.4 40.0 20.1 342 345 A K H 3> S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.787 106.4 52.5 -58.1 -31.9 32.5 39.5 23.9 343 346 A I H <> S+ 0 0 2 -3,-0.9 4,-2.0 -6,-0.2 -1,-0.2 0.888 110.7 47.8 -71.4 -40.2 31.3 35.9 23.5 344 347 A Q H X S+ 0 0 43 -4,-1.6 4,-2.6 -3,-0.2 -2,-0.2 0.945 113.4 47.1 -64.6 -46.8 34.1 35.2 21.0 345 348 A K H X S+ 0 0 102 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.967 111.9 51.0 -57.2 -54.6 36.7 36.8 23.3 346 349 A L H X S+ 0 0 31 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.848 113.1 44.2 -51.5 -44.5 35.5 34.9 26.3 347 350 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.915 113.3 50.3 -70.5 -44.5 35.6 31.5 24.5 348 351 A Q H <>S+ 0 0 64 -4,-2.6 5,-2.3 2,-0.2 6,-0.6 0.921 109.8 50.8 -60.1 -44.8 39.0 32.2 22.9 349 352 A D H ><5S+ 0 0 79 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.928 108.4 53.2 -59.1 -44.4 40.5 33.2 26.3 350 353 A F H 3<5S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.884 111.6 44.9 -58.9 -41.0 39.1 30.0 27.8 351 354 A F T ><5S- 0 0 9 -4,-2.0 3,-1.7 3,-0.1 -1,-0.3 -0.086 121.2-110.0 -94.7 31.9 40.8 27.9 25.1 352 355 A N T < 5S- 0 0 128 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.810 76.8 -41.5 41.8 55.5 44.0 30.0 25.6 353 356 A G T 3 > - 0 0 62 -2,-0.5 3,-2.4 1,-0.2 4,-0.8 -0.271 34.3-134.9 -45.2 120.2 27.7 32.9 9.3 362 365 A P T 34 S+ 0 0 8 0, 0.0 -27,-1.9 0, 0.0 4,-0.5 0.776 103.3 54.7 -51.9 -35.1 27.0 30.9 12.5 363 366 A D T 34 S+ 0 0 29 -28,-0.3 4,-0.2 -29,-0.2 -27,-0.1 0.480 113.2 43.0 -81.4 0.2 23.2 31.1 12.0 364 367 A E T <> S+ 0 0 8 -3,-2.4 4,-2.5 -29,-0.1 -1,-0.2 0.413 88.7 92.2-121.0 -3.6 23.7 29.6 8.5 365 368 A A H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.3 5,-0.2 0.907 85.9 47.1 -58.9 -50.2 26.2 26.9 9.4 366 369 A V H > S+ 0 0 6 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.933 114.5 46.3 -59.8 -49.0 23.7 24.1 10.1 367 370 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -351,-0.3 0.938 111.5 53.6 -58.3 -47.8 21.7 24.7 6.9 368 371 A Y H X S+ 0 0 70 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.924 110.7 45.7 -51.0 -53.4 25.0 24.9 5.0 369 372 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.891 112.0 51.3 -61.0 -40.7 26.1 21.5 6.3 370 373 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.875 106.0 55.0 -65.5 -38.6 22.8 19.9 5.6 371 374 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -366,-0.2 -353,-0.5 0.889 108.8 48.1 -62.2 -39.9 22.7 21.1 2.0 372 375 A V H X S+ 0 0 34 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.958 113.4 47.4 -64.5 -49.6 26.1 19.5 1.4 373 376 A Q H X S+ 0 0 37 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.885 109.9 53.0 -58.6 -41.2 24.8 16.2 3.0 374 377 A A H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.931 107.3 53.2 -60.3 -44.4 21.6 16.4 0.9 375 378 A A H >< S+ 0 0 32 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.887 108.7 47.7 -58.7 -43.3 23.8 16.7 -2.2 376 379 A I H 3< S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.0 56.3 -68.5 -32.5 25.8 13.6 -1.4 377 380 A L T 3< 0 0 57 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.339 360.0 360.0 -80.7 4.6 22.6 11.6 -0.7 378 381 A S < 0 0 103 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.684 360.0 360.0-120.6 360.0 21.2 12.4 -4.1