==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-AUG-05 2ALB . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE A3; . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.SILVENNOINEN,H.TOSSAVAINEN,J.MYLLYHARJU,P.PERMI . 113 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 8.8 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 . 1 0.9 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 . 3 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 S 0 0 125 0, 0.0 44,-0.1 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 146.4 -2.9 0.7 13.4 2 2 A D + 0 0 54 42,-0.2 54,-0.4 2,-0.1 2,-0.3 0.425 360.0 103.6-125.5 -6.6 -1.5 -2.1 11.2 3 3 A V S S- 0 0 11 52,-0.1 2,-0.3 1,-0.1 54,-0.3 -0.656 73.5-120.2 -81.6 132.1 0.0 -0.1 8.2 4 4 A L E -a 57 0A 73 52,-2.6 54,-2.8 -2,-0.3 2,-0.9 -0.556 15.7-146.8 -69.8 133.2 3.8 0.4 8.1 5 5 A E E -a 58 0A 133 -2,-0.3 54,-0.1 52,-0.2 -1,-0.1 -0.543 31.1-176.2-106.8 63.8 4.8 4.1 8.1 6 6 A L - 0 0 10 -2,-0.9 54,-0.4 52,-0.5 2,-0.3 -0.150 10.5-176.4 -68.2 158.2 8.0 3.9 5.9 7 7 A T >> - 0 0 57 52,-0.1 4,-3.3 1,-0.0 3,-2.0 -0.962 45.4 -97.9-147.6 161.1 10.5 6.6 5.0 8 8 A D T 34 S+ 0 0 91 -2,-0.3 4,-0.2 1,-0.3 56,-0.1 0.726 119.8 65.5 -53.9 -23.5 13.7 7.1 2.8 9 9 A D T 34 S+ 0 0 153 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.760 126.8 1.2 -68.9 -28.2 15.7 6.5 6.0 10 10 A N T X> S+ 0 0 42 -3,-2.0 3,-2.2 2,-0.0 4,-0.8 0.528 97.4 100.0-142.1 -12.5 14.5 2.8 6.4 11 11 A F H >X S+ 0 0 12 -4,-3.3 4,-1.5 1,-0.3 3,-1.3 0.880 79.7 65.3 -47.3 -44.6 12.2 1.7 3.5 12 12 A E H 34 S+ 0 0 141 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.512 106.5 42.9 -61.5 -8.2 15.1 -0.0 1.7 13 13 A S H <4 S+ 0 0 66 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.615 108.7 55.4-106.7 -23.1 15.3 -2.5 4.6 14 14 A R H X< S+ 0 0 129 -3,-1.3 3,-1.8 -4,-0.8 -2,-0.2 0.796 93.1 64.9 -91.2 -29.3 11.6 -3.3 5.2 15 15 A I G >< S+ 0 0 15 -4,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.750 95.3 64.1 -64.5 -22.3 10.5 -4.5 1.7 16 16 A S G 3 S+ 0 0 88 1,-0.2 -1,-0.3 69,-0.1 -2,-0.2 0.512 80.3 80.1 -78.3 -8.4 12.9 -7.4 2.3 17 17 A D G < S+ 0 0 145 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.554 73.3 108.6 -75.9 -7.9 10.7 -8.7 5.2 18 18 A T < + 0 0 15 -3,-0.9 6,-0.1 -4,-0.2 65,-0.0 -0.276 28.4 104.7 -62.0 150.9 8.4 -10.2 2.5 19 19 A G S > S+ 0 0 50 4,-0.2 3,-0.5 -2,-0.0 -1,-0.1 -0.277 75.2 45.3 174.5 -68.6 8.2 -14.0 1.9 20 20 A S T 3 S+ 0 0 142 1,-0.2 -2,-0.1 2,-0.1 32,-0.0 0.834 118.9 45.4 -67.0 -35.2 5.1 -15.8 3.2 21 21 A A T 3 S- 0 0 36 2,-0.1 -1,-0.2 1,-0.1 -3,-0.1 0.588 101.2-138.2 -79.7 -16.2 2.8 -13.1 1.7 22 22 A G S < S+ 0 0 32 -3,-0.5 62,-2.2 61,-0.1 2,-0.3 0.021 72.4 23.1 78.6 -24.1 4.8 -13.1 -1.6 23 23 A L E -B 83 0A 33 60,-0.3 2,-0.3 61,-0.2 60,-0.3 -0.930 68.3-121.8-155.5 173.1 4.6 -9.3 -1.9 24 24 A M E -B 82 0A 6 58,-1.7 58,-2.7 -2,-0.3 2,-0.3 -0.984 19.4-150.4-126.2 140.6 4.2 -5.9 -0.1 25 25 A L E -Bc 81 56A 4 30,-2.9 32,-0.8 -2,-0.3 2,-0.3 -0.844 16.7-173.9-105.7 145.1 1.5 -3.2 -0.9 26 26 A V E -Bc 80 57A 2 54,-2.3 54,-2.7 -2,-0.3 2,-0.5 -0.996 17.8-148.7-142.4 146.4 2.1 0.6 -0.4 27 27 A E E -Bc 79 58A 6 30,-2.5 32,-2.1 -2,-0.3 2,-0.4 -0.969 11.3-154.6-115.0 116.6 0.1 3.8 -0.7 28 28 A F E +Bc 78 59A 0 50,-3.0 50,-2.5 -2,-0.5 2,-0.2 -0.790 33.5 147.1 -87.4 131.7 1.9 7.0 -1.7 29 29 A F E - c 0 60A 33 30,-2.2 32,-3.1 -2,-0.4 33,-0.5 -0.780 36.6-125.0-149.2-176.1 0.1 10.1 -0.4 30 30 A A - 0 0 0 2,-0.2 6,-0.1 30,-0.2 4,-0.0 -0.965 25.1-118.1-141.0 159.7 0.6 13.8 0.9 31 31 A P S S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.600 83.2 102.3 -75.0 -12.1 -0.4 15.7 4.1 32 32 A W S S- 0 0 168 1,-0.1 -2,-0.2 4,-0.0 5,-0.2 -0.309 88.4 -84.2 -69.0 153.8 -2.6 18.2 2.1 33 33 A C S S+ 0 0 131 3,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.332 79.4 94.0 -60.6 137.5 -6.4 17.9 2.1 34 34 A G S >> S- 0 0 27 -3,-0.1 3,-1.6 -2,-0.0 4,-0.8 -0.973 89.3 -44.6 165.1-172.6 -7.8 15.4 -0.5 35 35 A H H 3> S+ 0 0 139 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.728 119.7 73.4 -57.7 -23.3 -9.0 11.8 -1.1 36 36 A C H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.880 95.8 50.2 -57.1 -38.3 -6.0 10.5 0.8 37 37 A K H <4 S+ 0 0 100 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.848 113.1 46.1 -68.6 -34.3 -7.7 11.7 4.1 38 38 A R H < S+ 0 0 177 -4,-0.8 4,-0.3 1,-0.2 -2,-0.2 0.819 117.2 43.7 -76.3 -34.2 -10.9 9.8 3.1 39 39 A L H >X S+ 0 0 12 -4,-2.3 4,-2.7 1,-0.1 3,-0.8 0.748 94.2 79.9 -84.5 -27.1 -9.0 6.6 2.1 40 40 A A H 3X S+ 0 0 39 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.899 93.2 47.2 -50.5 -50.6 -6.6 6.5 5.1 41 41 A P H 3> S+ 0 0 83 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.759 115.0 48.6 -68.7 -21.5 -9.1 4.9 7.6 42 42 A E H <> S+ 0 0 77 -3,-0.8 4,-2.2 -4,-0.3 -2,-0.2 0.882 110.9 48.5 -78.4 -41.4 -10.1 2.3 4.9 43 43 A Y H X S+ 0 0 4 -4,-2.7 4,-1.8 2,-0.2 -3,-0.2 0.885 110.0 53.0 -69.1 -34.2 -6.4 1.5 4.1 44 44 A E H X S+ 0 0 41 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.938 109.3 49.5 -57.7 -48.0 -5.8 1.1 7.9 45 45 A A H X S+ 0 0 33 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.882 107.5 54.0 -63.8 -38.9 -8.7 -1.3 8.1 46 46 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.899 106.0 52.8 -59.8 -41.9 -7.4 -3.3 5.1 47 47 A A H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.867 110.5 47.3 -66.7 -34.0 -4.0 -3.8 6.9 48 48 A T H >< S+ 0 0 83 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.920 113.9 47.9 -65.4 -45.2 -5.9 -5.2 10.0 49 49 A R H 3< S+ 0 0 176 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.709 123.6 32.6 -68.4 -22.7 -7.9 -7.5 7.7 50 50 A L T >X S+ 0 0 3 -4,-1.5 4,-2.9 4,-0.2 3,-2.6 0.079 77.0 128.6-121.2 17.6 -4.7 -8.7 5.8 51 51 A K T <4 S+ 0 0 135 -3,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.748 88.3 27.3 -56.2 -30.3 -2.1 -8.5 8.7 52 52 A G T 34 S+ 0 0 82 -4,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.014 128.7 46.4-112.5 20.9 -0.9 -12.2 8.1 53 53 A I T <4 S+ 0 0 81 -3,-2.6 -2,-0.2 1,-0.1 -3,-0.1 0.622 120.6 11.0-133.0 -46.0 -1.8 -12.2 4.4 54 54 A V < - 0 0 14 -4,-2.9 2,-0.2 -7,-0.2 -4,-0.2 -0.881 68.8-134.8-148.6 105.7 -0.6 -8.9 2.7 55 55 A P - 0 0 39 0, 0.0 -30,-2.9 0, 0.0 2,-0.3 -0.463 26.2-161.5 -55.6 132.3 1.8 -6.3 4.3 56 56 A L E + c 0 25A 4 -54,-0.4 -52,-2.6 -32,-0.2 2,-0.3 -0.912 10.8 178.6-121.7 147.1 0.5 -2.7 3.7 57 57 A A E -ac 4 26A 0 -32,-0.8 -30,-2.5 -2,-0.3 2,-0.3 -0.958 17.9-143.0-146.3 160.7 2.5 0.6 4.0 58 58 A K E -ac 5 27A 33 -54,-2.8 -52,-0.5 -2,-0.3 2,-0.3 -0.972 13.4-176.6-130.5 144.2 2.2 4.4 3.6 59 59 A V E - c 0 28A 4 -32,-2.1 -30,-2.2 -2,-0.3 2,-0.7 -0.977 25.7-128.6-144.2 123.7 4.8 7.0 2.3 60 60 A D E >> - c 0 29A 51 -54,-0.4 4,-1.5 -2,-0.3 3,-1.0 -0.621 11.6-160.8 -71.3 109.7 4.5 10.8 2.1 61 61 A C T 34 S+ 0 0 13 -32,-3.1 -31,-0.2 -2,-0.7 -1,-0.2 0.797 93.5 57.5 -59.1 -29.8 5.4 12.0 -1.5 62 62 A T T 34 S+ 0 0 58 -33,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.747 117.0 33.5 -71.4 -23.7 6.0 15.5 -0.1 63 63 A A T <4 S+ 0 0 74 -3,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.523 128.7 35.8-107.4 -11.0 8.7 14.1 2.3 64 64 A N S >X S+ 0 0 9 -4,-1.5 4,-2.1 1,-0.1 3,-0.8 -0.295 70.8 143.9-137.5 41.5 10.1 11.2 0.0 65 65 A T H 3> + 0 0 68 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.814 66.0 62.0 -59.9 -35.9 9.8 12.9 -3.4 66 66 A N H 3> S+ 0 0 99 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.847 110.0 40.0 -61.3 -39.3 13.0 11.3 -4.7 67 67 A T H <> S+ 0 0 16 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.925 115.9 51.8 -72.0 -45.8 11.5 7.8 -4.3 68 68 A C H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 6,-0.3 0.792 109.5 46.6 -72.3 -29.5 8.0 8.9 -5.6 69 69 A N H ><5S+ 0 0 109 -4,-2.5 3,-0.5 3,-0.2 -1,-0.2 0.869 113.5 49.4 -79.4 -34.5 9.3 10.6 -8.9 70 70 A K H 3<5S+ 0 0 169 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.805 113.9 48.0 -64.7 -30.1 11.5 7.6 -9.7 71 71 A Y T 3<5S- 0 0 49 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.479 112.1-123.4 -91.2 -7.0 8.3 5.5 -9.0 72 72 A G T < 5 + 0 0 50 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.792 58.7 149.0 69.4 31.5 6.1 7.7 -11.2 73 73 A V < + 0 0 9 -5,-2.7 -4,-0.1 1,-0.1 -5,-0.1 0.950 11.8 164.5 -59.5 -53.1 3.6 8.5 -8.4 74 74 A S + 0 0 111 -6,-0.3 2,-0.2 -13,-0.1 -1,-0.1 0.465 63.5 13.4 52.6 11.0 2.8 12.0 -9.9 75 75 A G S S- 0 0 28 3,-0.0 -47,-0.1 -46,-0.0 3,-0.1 -0.898 89.3 -59.9 163.6 169.2 -0.5 12.4 -7.8 76 76 A Y S S+ 0 0 101 -2,-0.2 -41,-0.2 1,-0.2 -40,-0.2 -0.981 91.9 24.6-154.4 159.3 -2.2 10.8 -4.8 77 77 A P S S+ 0 0 5 0, 0.0 2,-0.5 0, 0.0 -48,-0.2 0.469 76.3 169.7 -71.2 140.5 -3.5 8.6 -3.2 78 78 A T E -B 28 0A 31 -50,-2.5 -50,-3.0 -2,-0.1 2,-0.4 -0.962 17.6-158.9-132.4 108.6 -1.5 6.1 -5.4 79 79 A L E +B 27 0A 14 -2,-0.5 12,-1.8 -52,-0.2 2,-0.3 -0.770 14.3 177.7 -97.8 134.3 -1.3 2.4 -4.5 80 80 A K E -B 26 0A 16 -54,-2.7 -54,-2.3 -2,-0.4 2,-0.4 -0.868 19.3-134.8-136.9 163.1 1.5 0.1 -5.8 81 81 A I E -B 25 0A 14 -2,-0.3 7,-2.6 8,-0.2 8,-1.4 -0.970 9.3-169.9-129.2 135.3 2.7 -3.6 -5.5 82 82 A F E > -BD 24 87A 12 -58,-2.7 -58,-1.7 -2,-0.4 3,-1.5 -0.871 13.5-151.9-133.6 91.5 6.2 -5.1 -4.9 83 83 A R E > S-BD 23 86A 186 3,-0.9 3,-1.6 -2,-0.4 -60,-0.3 -0.509 86.8 -9.7 -64.9 125.8 6.6 -8.9 -5.3 84 84 A D T 3 S- 0 0 105 -62,-2.2 -1,-0.3 -2,-0.3 -61,-0.2 0.747 135.0 -54.5 48.8 28.4 9.4 -10.2 -3.0 85 85 A G T < S+ 0 0 16 -3,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.672 120.8 100.1 83.1 20.8 10.3 -6.4 -2.4 86 86 A E E < S-D 83 0A 141 -3,-1.6 -3,-0.9 -71,-0.1 -1,-0.2 -0.987 85.2 -78.9-138.7 143.6 10.6 -5.5 -6.2 87 87 A E E +D 82 0A 124 -2,-0.3 -5,-0.3 -5,-0.3 3,-0.1 -0.125 41.4 168.3 -52.2 123.8 8.1 -3.7 -8.5 88 88 A A - 0 0 66 -7,-2.6 2,-0.2 1,-0.1 -6,-0.2 0.752 58.7-101.6 -97.6 -37.1 5.3 -5.9 -9.9 89 89 A G - 0 0 28 -8,-1.4 2,-0.3 0, 0.0 -8,-0.2 -0.702 58.5 -37.2 162.8 -93.3 3.3 -2.8 -11.2 90 90 A A - 0 0 65 -10,-0.2 -10,-0.3 -2,-0.2 2,-0.1 -0.982 55.8 -86.7-157.7 156.8 0.3 -1.2 -9.5 91 91 A Y - 0 0 30 -12,-1.8 2,-0.2 -2,-0.3 -12,-0.1 -0.381 33.2-163.4 -65.8 150.1 -3.0 -1.8 -7.5 92 92 A D + 0 0 145 7,-0.1 -1,-0.0 -2,-0.1 -12,-0.0 -0.631 49.1 62.0-145.2 74.3 -6.1 -2.6 -9.7 93 93 A G S S- 0 0 38 -2,-0.2 7,-0.1 9,-0.0 6,-0.1 -0.967 86.0 -39.4-171.8-177.2 -9.4 -2.2 -7.7 94 94 A P - 0 0 83 0, 0.0 2,-1.9 0, 0.0 6,-0.1 -0.255 54.4-112.9 -55.4 146.3 -11.7 0.2 -5.7 95 95 A R S S+ 0 0 152 4,-0.1 2,-0.3 3,-0.1 -53,-0.1 -0.546 86.8 93.7 -79.1 69.9 -10.3 2.8 -3.4 96 96 A T S > S- 0 0 49 -2,-1.9 4,-1.5 -54,-0.1 3,-0.3 -0.964 89.1-108.5-152.7 158.4 -11.8 1.0 -0.3 97 97 A A H > S+ 0 0 6 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.896 120.8 56.3 -54.2 -42.9 -10.7 -1.6 2.3 98 98 A D H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.834 102.2 56.4 -60.8 -35.9 -13.0 -4.1 0.6 99 99 A G H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.928 107.6 47.0 -61.1 -47.0 -11.2 -3.5 -2.7 100 100 A I H X S+ 0 0 4 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.934 116.2 44.2 -63.1 -47.8 -7.8 -4.5 -1.2 101 101 A V H X S+ 0 0 23 -4,-2.1 4,-2.8 2,-0.2 3,-0.4 0.923 113.9 50.6 -63.8 -44.5 -9.3 -7.6 0.5 102 102 A S H X S+ 0 0 28 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.911 105.4 55.9 -60.9 -42.9 -11.2 -8.6 -2.7 103 103 A H H < S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.813 113.5 42.8 -60.4 -31.3 -8.0 -8.2 -4.9 104 104 A L H >X S+ 0 0 31 -4,-1.2 4,-2.7 -3,-0.4 3,-2.0 0.940 111.6 51.9 -74.2 -53.4 -6.4 -10.8 -2.5 105 105 A K H 3X S+ 0 0 89 -4,-2.8 4,-2.1 1,-0.3 -2,-0.2 0.858 99.8 65.2 -55.5 -38.3 -9.4 -13.2 -2.3 106 106 A K H 3< S+ 0 0 160 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.601 119.1 22.4 -58.0 -18.5 -9.7 -13.3 -6.2 107 107 A Q H <4 S+ 0 0 125 -3,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.631 119.8 57.3-121.8 -32.7 -6.2 -15.1 -6.3 108 108 A A H < S- 0 0 71 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.826 133.8 -38.9 -69.4 -36.4 -5.8 -16.6 -2.8 109 109 A G < + 0 0 43 -4,-2.1 -3,-0.1 -5,-0.3 -1,-0.1 0.041 58.7 167.7 166.1 70.4 -9.0 -18.8 -3.0 110 110 A P > + 0 0 84 0, 0.0 3,-0.8 0, 0.0 -4,-0.1 0.638 55.5 102.3 -72.7 -15.8 -12.3 -17.4 -4.6 111 111 A A T 3 S+ 0 0 78 1,-0.2 0, 0.0 -5,-0.0 0, 0.0 -0.393 86.5 8.8 -69.2 147.7 -13.8 -21.0 -4.6 112 112 A S T 3 0 0 135 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.481 360.0 360.0 57.8 9.7 -16.4 -22.0 -1.9 113 113 A V < 0 0 158 -3,-0.8 -1,-0.2 -4,-0.0 -4,-0.0 -0.506 360.0 360.0 -63.7 360.0 -16.7 -18.3 -0.6