==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-APR-06 2DJJ . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR K.KATO,Y.YAMAGUCHI . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 5.0 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 . 0 0.0 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 . 16 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 0 1 0 0 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 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.8 -12.3 9.3 -19.1 2 2 A P - 0 0 144 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.193 360.0-180.0 -52.2 136.8 -10.4 11.6 -16.7 3 3 A L + 0 0 121 1,-0.1 53,-0.0 2,-0.0 0, 0.0 -0.977 39.4 12.8-146.7 129.4 -7.1 10.2 -15.4 4 4 A G + 0 0 47 -2,-0.3 -1,-0.1 51,-0.1 52,-0.0 0.111 44.9 152.8 89.7 154.1 -4.5 11.6 -13.1 5 5 A S - 0 0 114 -3,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.117 63.2 -13.0-173.7 -75.7 -4.6 14.5 -10.7 6 6 A E S S+ 0 0 174 1,-0.4 -2,-0.1 2,-0.1 0, 0.0 -0.959 108.3 4.4-154.5 132.4 -2.4 14.5 -7.6 7 7 A G - 0 0 47 -2,-0.3 -1,-0.4 3,-0.1 4,-0.1 0.812 57.7-143.0 62.0 114.6 -0.4 11.8 -5.8 8 8 A P S S+ 0 0 22 0, 0.0 40,-0.1 0, 0.0 2,-0.1 0.982 80.6 72.0 -71.2 -59.2 -0.4 8.4 -7.5 9 9 A V S S- 0 0 11 38,-0.3 2,-1.3 1,-0.1 57,-0.2 -0.357 91.1-119.5 -61.1 132.1 -0.5 6.1 -4.5 10 10 A T E -a 66 0A 58 55,-1.7 57,-1.7 41,-0.1 2,-1.7 -0.614 21.9-155.9 -79.0 94.7 -3.9 6.1 -2.9 11 11 A V E -a 67 0A 67 -2,-1.3 2,-0.6 55,-0.3 57,-0.2 -0.529 17.8-171.7 -72.4 88.1 -3.2 7.4 0.6 12 12 A V - 0 0 2 -2,-1.7 -2,-0.0 55,-1.2 -1,-0.0 -0.765 12.3-141.6 -90.1 117.7 -6.3 5.9 2.3 13 13 A V >> - 0 0 42 -2,-0.6 4,-3.1 55,-0.2 3,-1.7 -0.258 33.7 -97.7 -71.0 162.5 -6.8 7.0 5.9 14 14 A A T 34 S+ 0 0 9 55,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.749 124.7 66.5 -51.9 -22.9 -8.1 4.6 8.5 15 15 A K T 34 S+ 0 0 169 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.879 120.2 15.9 -67.3 -40.0 -11.5 6.2 7.7 16 16 A N T X> S+ 0 0 57 -3,-1.7 3,-3.5 1,-0.1 4,-2.6 0.484 97.9 97.8-111.9 -7.5 -11.5 4.7 4.2 17 17 A Y T 3< S+ 0 0 3 -4,-3.1 5,-0.3 1,-0.3 -3,-0.2 0.654 86.3 54.2 -56.8 -12.1 -8.8 2.1 4.6 18 18 A N T 34 S+ 0 0 73 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.471 115.6 39.2 -96.5 -6.4 -11.7 -0.3 5.1 19 19 A E T <4 S+ 0 0 129 -3,-3.5 -2,-0.2 4,-0.1 -1,-0.1 0.604 132.8 20.3-112.4 -26.7 -13.2 0.9 1.9 20 20 A I S < S+ 0 0 62 -4,-2.6 3,-0.4 2,-0.1 -3,-0.2 0.734 133.3 34.1-113.2 -42.6 -10.1 1.3 -0.3 21 21 A V S S+ 0 0 0 -5,-0.5 7,-0.3 1,-0.2 -3,-0.2 0.647 121.8 49.5 -88.5 -19.1 -7.4 -0.9 1.3 22 22 A L S S+ 0 0 57 -6,-0.4 2,-0.4 -5,-0.3 -1,-0.2 0.115 84.5 120.6-105.9 18.6 -9.8 -3.4 2.5 23 23 A D > - 0 0 57 -3,-0.4 3,-0.9 1,-0.1 5,-0.1 -0.711 54.9-152.7 -88.1 131.2 -11.5 -3.8 -0.9 24 24 A D T 3 S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.344 78.6 94.4 -83.4 7.2 -11.4 -7.2 -2.6 25 25 A T T 3 S- 0 0 64 1,-0.2 2,-0.3 64,-0.1 -1,-0.2 0.777 103.0 -14.9 -68.6 -25.7 -11.6 -5.6 -6.0 26 26 A K S < S- 0 0 49 -3,-0.9 2,-0.5 62,-0.1 -1,-0.2 -0.979 85.9 -71.9-166.6 169.4 -7.8 -5.8 -6.1 27 27 A D - 0 0 0 -2,-0.3 37,-1.7 63,-0.1 2,-0.5 -0.608 48.8-161.5 -75.7 119.7 -4.6 -6.3 -4.1 28 28 A V E -bC 64 88A 3 60,-2.7 60,-3.1 -2,-0.5 2,-0.8 -0.913 10.3-156.2-110.7 127.7 -4.0 -3.3 -1.9 29 29 A L E -bC 65 87A 0 35,-2.1 37,-1.7 -2,-0.5 2,-0.5 -0.853 14.1-167.4-101.4 102.5 -0.6 -2.5 -0.3 30 30 A I E -bC 66 86A 0 56,-3.1 56,-1.7 -2,-0.8 2,-0.7 -0.798 5.8-166.4 -95.8 127.2 -1.1 -0.3 2.7 31 31 A E E -bC 67 85A 0 35,-1.1 37,-0.8 -2,-0.5 54,-0.3 -0.782 13.1-148.2-114.8 89.6 2.0 1.3 4.2 32 32 A F E +bC 68 84A 0 52,-1.4 52,-1.1 -2,-0.7 2,-0.2 -0.251 36.7 146.9 -53.4 135.2 1.2 2.7 7.7 33 33 A Y E -b 69 0A 31 35,-1.9 37,-1.6 50,-0.2 38,-0.8 -0.823 35.8-129.0-153.1-167.9 3.3 5.8 8.3 34 34 A A - 0 0 2 -2,-0.2 3,-0.1 35,-0.2 6,-0.0 -0.843 28.3-112.8-144.0 178.2 3.6 9.2 10.0 35 35 A P S S+ 0 0 81 0, 0.0 -1,-0.0 0, 0.0 34,-0.0 0.654 119.1 40.9 -91.0 -18.9 4.4 12.8 9.0 36 36 A W S S+ 0 0 216 4,-0.0 2,-1.1 5,-0.0 3,-0.1 0.212 85.0 116.8-110.6 9.8 7.6 12.8 11.2 37 37 A C > - 0 0 21 1,-0.2 4,-1.8 -3,-0.1 3,-0.5 -0.702 47.6-165.7 -85.4 99.1 8.6 9.3 10.2 38 38 A G T 4 S+ 0 0 56 -2,-1.1 4,-0.4 1,-0.2 -1,-0.2 0.753 87.7 62.1 -54.4 -24.0 11.9 9.6 8.4 39 39 A H T >> S+ 0 0 126 2,-0.2 3,-1.7 1,-0.2 4,-1.1 0.955 101.8 46.9 -67.6 -51.8 11.4 6.1 7.2 40 40 A C H >> S+ 0 0 2 -3,-0.5 4,-1.7 1,-0.3 3,-0.6 0.880 103.9 63.1 -57.6 -39.1 8.2 6.8 5.2 41 41 A K H 3< S+ 0 0 116 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.723 109.1 42.0 -58.9 -20.3 9.9 9.8 3.7 42 42 A A H <4 S+ 0 0 47 -3,-1.7 4,-0.3 -4,-0.4 -1,-0.3 0.609 112.4 53.6 -98.8 -18.6 12.3 7.3 2.1 43 43 A L H S+ 0 0 68 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.866 110.5 40.6 -54.9 -36.3 9.9 7.4 -3.7 46 46 A K H >>S+ 0 0 8 -4,-0.3 4,-2.3 -3,-0.3 5,-0.6 0.763 113.9 53.7 -81.5 -28.2 8.9 3.9 -4.2 47 47 A Y H X5S+ 0 0 0 -4,-1.2 4,-0.5 3,-0.2 -38,-0.3 0.794 114.4 40.5 -76.9 -29.0 5.3 4.6 -3.4 48 48 A E H X5S+ 0 0 109 -4,-2.9 4,-1.0 3,-0.2 -2,-0.2 0.808 122.9 40.0 -87.2 -33.5 5.1 7.4 -5.9 49 49 A E H X5S+ 0 0 132 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.867 128.2 32.6 -81.9 -39.3 7.1 5.5 -8.6 50 50 A L H X5S+ 0 0 3 -4,-2.3 4,-3.4 2,-0.2 -3,-0.2 0.893 122.0 49.0 -81.4 -44.6 5.4 2.2 -7.9 51 51 A G H XX S+ 0 0 94 -4,-1.5 4,-1.4 1,-0.2 3,-0.7 0.877 115.7 49.1 -63.8 -35.8 3.2 2.9 -12.2 54 54 A Y H 3< S+ 0 0 15 -4,-3.4 8,-0.4 1,-0.2 -1,-0.2 0.800 120.0 37.7 -72.6 -28.6 0.7 0.7 -10.4 55 55 A A T 3< S+ 0 0 26 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.192 131.5 28.1-106.1 13.7 -2.0 3.4 -10.9 56 56 A K T <4 S+ 0 0 98 -3,-0.7 -2,-0.2 -4,-0.3 -3,-0.2 0.277 111.8 58.9-155.2 11.3 -0.9 4.4 -14.4 57 57 A S S < S- 0 0 35 -4,-1.4 -3,-0.1 -5,-0.1 -4,-0.1 0.545 116.5 -46.5-109.8-102.7 0.8 1.4 -16.1 58 58 A E S S+ 0 0 164 -5,-0.4 -4,-0.1 1,-0.1 -3,-0.1 -0.006 132.4 48.3-128.2 27.6 -1.0 -2.0 -16.7 59 59 A F > + 0 0 61 -6,-0.4 3,-2.1 -5,-0.1 -5,-0.1 0.098 63.5 120.5-152.4 21.8 -2.5 -2.5 -13.3 60 60 A K T 3 S+ 0 0 81 1,-0.3 -6,-0.1 -7,-0.1 -5,-0.1 0.774 89.8 40.4 -62.6 -24.7 -4.2 0.8 -12.6 61 61 A D T 3 S+ 0 0 143 2,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.119 122.6 49.1-107.4 16.6 -7.4 -1.1 -12.3 62 62 A R S < S+ 0 0 104 -3,-2.1 -3,-0.1 -8,-0.4 -36,-0.1 -0.182 108.2 6.8-125.8-142.4 -5.6 -3.9 -10.5 63 63 A V S S- 0 0 0 -2,-0.1 2,-0.4 -37,-0.1 -1,-0.3 -0.211 73.2-161.4 -48.0 121.3 -3.3 -4.2 -7.5 64 64 A V E - b 0 28A 14 -37,-1.7 -35,-2.1 -3,-0.1 2,-0.8 -0.875 19.2-124.0-114.0 146.0 -3.1 -0.6 -6.1 65 65 A I E - b 0 29A 1 -2,-0.4 -55,-1.7 -14,-0.3 2,-0.2 -0.769 38.6-178.3 -89.2 110.0 -0.5 0.9 -3.7 66 66 A A E -ab 10 30A 0 -37,-1.7 -35,-1.1 -2,-0.8 2,-0.3 -0.671 8.7-175.0-108.4 164.3 -2.4 2.3 -0.7 67 67 A K E -ab 11 31A 19 -57,-1.7 -55,-1.2 -37,-0.3 2,-0.3 -0.923 4.6-169.4-148.4 171.4 -1.2 4.2 2.4 68 68 A V E - b 0 32A 0 -37,-0.8 -35,-1.9 -2,-0.3 2,-1.1 -0.946 31.2-112.6-166.8 145.2 -2.5 5.5 5.7 69 69 A D E >> - b 0 33A 26 -2,-0.3 4,-2.5 -37,-0.2 3,-0.5 -0.712 24.5-172.2 -85.8 100.0 -1.4 7.8 8.6 70 70 A A T 34 S+ 0 0 15 -37,-1.6 5,-0.2 -2,-1.1 -1,-0.2 0.618 90.5 40.6 -66.1 -12.8 -1.1 5.4 11.6 71 71 A T T 34 S+ 0 0 68 -38,-0.8 -1,-0.2 3,-0.1 -37,-0.1 0.518 121.1 40.5-111.0 -12.3 -0.6 8.5 13.7 72 72 A A T <4 S+ 0 0 68 -3,-0.5 2,-0.4 1,-0.2 -2,-0.2 0.543 116.4 50.2-109.7 -15.5 -3.2 10.7 12.1 73 73 A N S < S- 0 0 30 -4,-2.5 2,-1.1 -59,-0.0 -1,-0.2 -0.989 80.5-128.7-130.8 126.2 -5.9 8.1 11.7 74 74 A D - 0 0 168 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 -0.590 32.0-159.3 -74.6 99.9 -7.1 5.7 14.4 75 75 A V - 0 0 29 -2,-1.1 4,-0.1 -5,-0.2 -60,-0.1 -0.499 21.4-131.8 -81.1 149.7 -6.8 2.2 12.7 76 76 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.667 88.8 74.1 -73.3 -17.0 -8.8 -0.8 13.9 77 77 A D S S- 0 0 73 1,-0.0 -2,-0.2 2,-0.0 2,-0.1 -0.775 84.3-120.8-101.4 144.4 -5.6 -2.9 13.9 78 78 A E - 0 0 168 -2,-0.3 2,-0.4 2,-0.0 -1,-0.0 -0.464 19.2-153.5 -80.4 152.8 -2.8 -2.7 16.5 79 79 A I + 0 0 22 -2,-0.1 3,-0.1 1,-0.1 5,-0.0 -0.904 22.2 171.0-134.0 107.0 0.7 -1.8 15.4 80 80 A Q S S+ 0 0 179 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.668 78.1 52.2 -84.2 -18.4 3.7 -3.0 17.5 81 81 A G S S- 0 0 30 18,-0.1 -1,-0.2 0, 0.0 18,-0.1 -0.958 90.0-123.9-125.7 114.9 6.1 -1.9 14.8 82 82 A F S S+ 0 0 112 -2,-0.5 2,-0.2 -3,-0.1 -49,-0.1 -0.896 87.9 24.3-106.7 127.2 6.0 1.6 13.3 83 83 A P S S- 0 0 7 0, 0.0 2,-0.3 0, 0.0 -50,-0.2 0.555 83.1-170.7 -82.1-163.8 5.6 2.0 10.5 84 84 A T E -C 32 0A 7 -52,-1.1 -52,-1.4 -2,-0.2 2,-0.4 -0.985 20.1-149.5-147.1 155.8 4.0 -1.0 9.0 85 85 A I E -C 31 0A 1 14,-2.0 2,-0.5 -2,-0.3 -54,-0.2 -0.835 18.6-178.5-132.5 96.4 3.1 -2.5 5.5 86 86 A K E -C 30 0A 20 -56,-1.7 -56,-3.1 -2,-0.4 2,-0.7 -0.809 14.0-152.0 -97.9 130.2 -0.0 -4.6 5.3 87 87 A L E -C 29 0A 0 -2,-0.5 10,-1.1 -58,-0.2 -58,-0.2 -0.883 4.7-164.6-105.5 109.6 -1.0 -6.2 2.0 88 88 A Y E -C 28 0A 4 -60,-3.1 -60,-2.7 -2,-0.7 5,-0.2 -0.755 16.7-155.9 -95.4 93.8 -4.7 -6.8 1.6 89 89 A P - 0 0 4 0, 0.0 2,-1.5 0, 0.0 -63,-0.1 -0.058 31.7-100.4 -59.9 168.0 -5.0 -9.2 -1.3 90 90 A A S S+ 0 0 27 1,-0.2 -63,-0.1 2,-0.1 -66,-0.1 -0.338 121.7 22.0 -88.3 54.9 -8.1 -9.5 -3.4 91 91 A G S S+ 0 0 55 -2,-1.5 -1,-0.2 -65,-0.1 3,-0.1 0.169 119.5 56.3 174.5 -26.0 -9.1 -12.6 -1.5 92 92 A A > + 0 0 25 1,-0.1 3,-0.7 2,-0.1 -2,-0.1 -0.390 53.8 139.4-123.0 54.3 -7.3 -12.4 1.9 93 93 A K T 3 S+ 0 0 28 1,-0.2 -1,-0.1 -5,-0.2 -5,-0.1 0.447 72.3 59.6 -74.6 -0.7 -8.4 -9.0 3.2 94 94 A G T 3 S+ 0 0 79 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.676 115.2 27.8-101.1 -21.6 -8.7 -10.7 6.6 95 95 A Q S < S+ 0 0 157 -3,-0.7 -1,-0.1 -8,-0.1 -2,-0.1 -0.329 84.2 174.9-136.3 53.0 -5.2 -11.8 7.0 96 96 A P - 0 0 18 0, 0.0 2,-0.9 0, 0.0 -8,-0.2 0.305 45.4 -89.6 -44.1-176.2 -3.1 -9.3 5.0 97 97 A V - 0 0 29 -10,-1.1 -10,-0.1 2,-0.0 -9,-0.1 -0.722 44.2-159.6-107.3 82.1 0.6 -9.3 4.9 98 98 A T + 0 0 87 -2,-0.9 -12,-0.3 -12,-0.3 2,-0.3 -0.353 22.0 169.1 -61.2 135.1 1.6 -7.1 7.7 99 99 A Y - 0 0 106 -18,-0.1 -14,-2.0 1,-0.1 -18,-0.1 -0.834 45.6-124.9-141.1 178.9 5.1 -5.8 7.3 100 100 A S - 0 0 81 -16,-0.3 -1,-0.1 -2,-0.3 -14,-0.1 0.754 54.3-123.4 -98.4 -33.0 7.7 -3.3 8.6 101 101 A G - 0 0 20 -16,-0.2 2,-0.2 -17,-0.0 -58,-0.0 0.513 24.8-154.3 92.2 124.0 8.4 -1.6 5.3 102 102 A S - 0 0 58 2,-0.2 2,-0.3 -59,-0.1 -3,-0.0 -0.581 29.6-104.2-118.8-177.7 11.8 -1.2 3.6 103 103 A R S S+ 0 0 202 -2,-0.2 2,-0.4 -58,-0.0 -60,-0.0 -0.371 84.2 98.4-106.0 52.5 13.4 1.2 1.1 104 104 A T > - 0 0 51 -2,-0.3 4,-0.5 1,-0.1 -2,-0.2 -0.983 50.5-165.5-144.3 129.7 13.2 -1.0 -2.0 105 105 A V H > S+ 0 0 46 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.779 91.0 64.1 -80.0 -30.2 10.7 -1.2 -4.8 106 106 A E H > S+ 0 0 154 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 102.6 49.4 -62.5 -35.6 11.9 -4.6 -6.0 107 107 A D H > S+ 0 0 73 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.779 107.8 56.5 -73.7 -26.2 10.8 -6.1 -2.8 108 108 A L H X S+ 0 0 3 -4,-0.5 4,-1.8 2,-0.2 5,-0.4 0.940 105.6 48.2 -70.3 -48.0 7.4 -4.4 -3.2 109 109 A I H X S+ 0 0 49 -4,-2.3 4,-1.0 1,-0.3 -2,-0.2 0.967 116.5 42.9 -56.0 -52.9 6.8 -5.9 -6.6 110 110 A K H X S+ 0 0 118 -4,-1.9 4,-1.2 3,-0.2 5,-0.3 0.718 110.6 65.4 -64.5 -19.6 7.7 -9.3 -5.2 111 111 A F H >X>S+ 0 0 7 -4,-0.6 4,-4.6 2,-0.2 3,-1.7 0.994 111.8 25.5 -65.2 -77.6 5.6 -8.3 -2.2 112 112 A I H 3<5S+ 0 0 0 -4,-1.8 8,-0.8 3,-0.3 7,-0.6 0.576 123.4 61.1 -64.3 -5.7 2.1 -8.0 -3.7 113 113 A A H 3<5S+ 0 0 12 -4,-1.0 -1,-0.3 -5,-0.4 -2,-0.2 0.684 120.9 20.1 -93.7 -20.6 3.5 -10.5 -6.2 114 114 A E H <<5S+ 0 0 136 -3,-1.7 -2,-0.2 -4,-1.2 -3,-0.2 0.591 137.4 38.2-115.5 -26.4 4.2 -13.2 -3.6 115 115 A N T <5S+ 0 0 48 -4,-4.6 -3,-0.3 -5,-0.3 -2,-0.1 0.725 108.4 76.9 -93.8 -31.5 1.9 -11.8 -0.9 116 116 A G S