==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-DEC-07 3BOA . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR G.TIAN,W.J.LENNARZ,H.SCHINDELIN . 490 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 61 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 1 1 2 1 2 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 1 2 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 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 24 A Q > 0 0 158 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.1 -84.2 -86.0 -5.6 2 25 A E T 3 - 0 0 149 1,-0.2 35,-0.0 35,-0.0 0, 0.0 -0.072 360.0 -32.4 40.5-130.9 -83.1 -84.3 -8.9 3 26 A A T 3 S+ 0 0 7 2,-0.1 -1,-0.2 42,-0.0 2,-0.2 0.184 94.2 125.0-110.2 13.6 -79.5 -82.7 -9.0 4 27 A V < - 0 0 81 -3,-1.2 41,-0.0 1,-0.1 3,-0.0 -0.489 58.9-140.0 -72.9 139.2 -79.1 -81.5 -5.4 5 28 A A - 0 0 21 -2,-0.2 8,-0.2 4,-0.1 59,-0.1 -0.901 46.2-141.1 -87.1 98.7 -76.2 -82.6 -3.2 6 29 A P > - 0 0 32 0, 0.0 3,-1.7 0, 0.0 5,-0.3 0.104 20.9 -92.2 -69.7 179.0 -78.6 -82.9 -0.3 7 30 A E T 3 S+ 0 0 204 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.812 126.9 54.3 -55.7 -32.7 -78.1 -82.0 3.4 8 31 A D T 3 S+ 0 0 144 2,-0.1 -1,-0.3 0, 0.0 2,-0.0 0.623 90.7 97.3 -77.0 -15.9 -76.9 -85.6 4.0 9 32 A S S < S- 0 0 16 -3,-1.7 2,-0.8 1,-0.1 -4,-0.1 -0.305 85.0-114.0 -76.0 161.2 -74.2 -85.4 1.3 10 33 A A S S+ 0 0 24 39,-0.2 2,-0.3 2,-0.0 52,-0.1 -0.278 83.9 90.3 -93.1 49.0 -70.6 -84.7 2.0 11 34 A V - 0 0 23 -2,-0.8 2,-0.6 -5,-0.3 52,-0.1 -0.977 64.6-139.3-141.4 149.8 -70.5 -81.3 0.2 12 35 A V - 0 0 83 50,-1.3 2,-1.2 -2,-0.3 52,-0.2 -0.925 18.9-141.5-113.3 104.7 -71.1 -77.6 1.0 13 36 A K - 0 0 97 -2,-0.6 2,-0.1 -8,-0.2 52,-0.1 -0.513 22.6-143.5 -61.7 97.3 -73.0 -75.8 -1.7 14 37 A L - 0 0 14 -2,-1.2 52,-0.3 50,-0.1 2,-0.2 -0.463 18.5-154.4 -64.0 134.6 -71.2 -72.5 -1.6 15 38 A A > - 0 0 18 -2,-0.1 3,-0.9 50,-0.1 -1,-0.1 -0.542 31.6 -99.5-104.8 174.7 -73.6 -69.6 -2.2 16 39 A T G > S+ 0 0 55 1,-0.2 3,-0.5 -2,-0.2 4,-0.2 0.773 106.2 89.3 -64.0 -27.2 -73.2 -66.1 -3.6 17 40 A D G 3 S- 0 0 135 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.859 117.3 -16.4 -36.4 -50.3 -73.2 -64.9 0.0 18 41 A S G <> S+ 0 0 45 -3,-0.9 4,-1.0 2,-0.1 -1,-0.2 -0.262 70.2 149.6-163.5 76.0 -69.4 -65.4 0.1 19 42 A F H <> S+ 0 0 3 -3,-0.5 4,-3.0 2,-0.2 3,-0.3 0.959 86.2 47.2 -60.7 -53.0 -67.6 -67.5 -2.6 20 43 A N H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.872 107.3 53.1 -63.4 -43.2 -64.5 -65.4 -2.3 21 44 A E H 4 S+ 0 0 150 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.832 116.6 43.0 -62.2 -30.0 -64.2 -65.3 1.5 22 45 A Y H X S+ 0 0 54 -4,-1.0 4,-1.5 -3,-0.3 -2,-0.2 0.885 115.0 48.8 -78.4 -45.5 -64.4 -69.1 1.3 23 46 A I H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.2 -2,-0.2 0.986 112.5 43.2 -56.9 -63.6 -62.0 -69.5 -1.7 24 47 A Q T 3< S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.1 0.620 111.7 55.3 -70.9 -13.9 -59.1 -67.4 -0.5 25 48 A S T 34 S+ 0 0 73 -4,-0.4 -1,-0.3 -5,-0.3 2,-0.2 0.862 98.7 73.1 -75.8 -41.2 -59.3 -68.8 3.1 26 49 A H S << S- 0 0 54 -4,-1.5 3,-0.3 -3,-0.7 35,-0.0 -0.559 78.8-137.9 -84.0 142.0 -58.9 -72.4 1.8 27 50 A D S S+ 0 0 26 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.691 89.3 7.9 -73.7 -22.5 -55.6 -73.6 0.5 28 51 A L S S- 0 0 49 62,-0.1 33,-0.5 -5,-0.1 2,-0.3 -0.622 72.7-167.6-166.3 91.8 -56.9 -75.5 -2.6 29 52 A V E -aB 61 88A 1 59,-1.0 59,-1.0 60,-0.5 2,-0.6 -0.670 10.0-155.8 -94.8 142.7 -60.6 -75.3 -3.6 30 53 A L E -aB 62 87A 12 31,-0.5 33,-0.8 -2,-0.3 57,-0.2 -0.913 23.2-165.4-117.9 99.7 -62.3 -77.6 -6.1 31 54 A A E -a 63 0A 0 -2,-0.6 33,-0.2 55,-0.5 2,-0.1 -0.323 21.2-168.5 -85.4 163.5 -65.3 -75.9 -7.6 32 55 A E E -a 64 0A 0 31,-1.9 33,-2.4 53,-0.1 2,-0.7 -0.657 6.4-168.6-147.7 93.9 -68.2 -77.1 -9.6 33 56 A F E +aC 65 84A 0 51,-2.0 51,-3.3 31,-0.2 2,-0.3 -0.753 32.0 162.3 -81.3 118.8 -70.3 -74.2 -11.1 34 57 A F E -a 66 0A 12 31,-2.1 33,-2.6 -2,-0.7 34,-0.3 -0.846 39.9-139.3-140.2 166.1 -73.4 -76.0 -12.3 35 58 A A - 0 0 1 -2,-0.3 3,-0.4 31,-0.2 6,-0.2 -0.961 22.1-132.5-127.4 149.5 -77.0 -75.8 -13.5 36 59 A P S S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.840 102.8 51.4 -72.5 -38.1 -79.7 -78.3 -12.5 37 60 A W S S+ 0 0 195 4,-0.1 2,-1.0 5,-0.1 3,-0.1 0.585 81.9 105.6 -79.9 -13.2 -81.3 -78.9 -15.9 38 61 A a >> - 0 0 13 -3,-0.4 3,-0.9 1,-0.2 4,-0.9 -0.611 65.8-152.4 -66.1 103.8 -77.9 -79.7 -17.3 39 62 A G H >> S+ 0 0 49 -2,-1.0 4,-5.1 1,-0.3 3,-1.3 0.882 94.0 52.0 -45.1 -48.7 -78.1 -83.5 -17.6 40 63 A H H 34 S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.3 -2,-0.1 0.823 104.1 57.0 -59.9 -34.7 -74.3 -83.9 -17.2 41 64 A a H <4 S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.586 120.1 30.9 -76.4 -13.9 -74.4 -81.7 -14.1 42 65 A K H X< S+ 0 0 76 -3,-1.3 3,-2.4 -4,-0.9 2,-0.3 0.687 113.1 66.2 -95.0 -44.2 -76.9 -84.3 -12.7 43 66 A N T 3< S+ 0 0 130 -4,-5.1 -2,-0.2 1,-0.3 -3,-0.2 0.080 112.5 31.3 -77.4 22.9 -75.4 -87.2 -14.6 44 67 A M T 3> S+ 0 0 14 -2,-0.3 4,-1.3 -5,-0.1 -1,-0.3 0.154 88.7 104.3-148.8 19.9 -72.1 -87.0 -12.7 45 68 A A H <> S+ 0 0 13 -3,-2.4 4,-2.3 1,-0.2 5,-0.2 0.876 76.7 55.1 -72.1 -41.9 -73.5 -85.8 -9.3 46 69 A P H > S+ 0 0 82 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.815 107.4 54.2 -57.0 -29.8 -73.2 -89.1 -7.5 47 70 A E H > S+ 0 0 59 2,-0.2 4,-1.6 3,-0.2 -2,-0.2 0.850 105.3 50.3 -72.3 -37.7 -69.5 -89.1 -8.5 48 71 A Y H < S+ 0 0 5 -4,-1.3 -1,-0.2 2,-0.2 -3,-0.1 0.922 116.2 43.7 -62.7 -42.3 -69.1 -85.6 -6.9 49 72 A V H >X S+ 0 0 48 -4,-2.3 4,-1.8 1,-0.2 3,-1.8 0.889 112.1 51.4 -66.6 -43.0 -70.7 -87.2 -3.8 50 73 A K H 3< S+ 0 0 122 -4,-2.8 4,-0.3 1,-0.3 -1,-0.2 0.745 112.5 46.9 -69.2 -23.5 -68.6 -90.3 -4.1 51 74 A A T 3< S+ 0 0 3 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 -0.149 114.2 56.3-100.4 35.4 -65.6 -88.0 -4.4 52 75 A A T <4 S+ 0 0 0 -3,-1.8 -2,-0.2 -41,-0.0 8,-0.2 0.585 103.0 38.3-123.5 -71.0 -67.0 -86.2 -1.3 53 76 A E S < S+ 0 0 140 -4,-1.8 3,-0.3 1,-0.2 -3,-0.1 0.885 126.4 42.0 -57.0 -39.5 -67.6 -88.3 1.7 54 77 A T S > S+ 0 0 84 -5,-0.4 2,-1.5 -4,-0.3 3,-0.9 0.918 110.2 61.7 -70.7 -44.1 -64.4 -90.2 0.9 55 78 A L T 3 S+ 0 0 14 1,-0.2 -1,-0.2 -5,-0.1 5,-0.1 -0.587 74.5 84.8 -92.1 75.4 -62.5 -87.1 0.0 56 79 A V T > + 0 0 63 -2,-1.5 3,-1.4 -3,-0.3 -1,-0.2 0.272 68.1 83.0-129.6 -7.0 -62.5 -85.0 3.2 57 80 A E T < S+ 0 0 189 -3,-0.9 -2,-0.1 1,-0.3 -3,-0.0 0.651 101.0 37.3 -77.7 -17.8 -59.4 -86.7 4.8 58 81 A K T 3 S- 0 0 143 2,-0.0 -1,-0.3 58,-0.0 -3,-0.1 -0.339 124.6-113.1-111.3 46.6 -57.1 -84.5 2.8 59 82 A N < - 0 0 104 -3,-1.4 2,-0.2 1,-0.1 -2,-0.1 0.755 49.5-176.1 3.9 77.1 -59.7 -81.8 3.4 60 83 A I - 0 0 21 -8,-0.2 2,-0.5 -5,-0.1 -1,-0.1 -0.590 20.7-125.8 -82.6 146.7 -60.8 -81.5 -0.2 61 84 A T E -a 29 0A 3 -33,-0.5 -31,-0.5 -2,-0.2 2,-0.5 -0.860 18.8-168.7 -99.4 124.6 -63.4 -78.9 -1.1 62 85 A L E +a 30 0A 6 -2,-0.5 -50,-1.3 -52,-0.1 2,-0.4 -0.955 13.2 179.9-105.7 130.0 -66.6 -79.8 -2.9 63 86 A A E -a 31 0A 1 -33,-0.8 -31,-1.9 -2,-0.5 2,-0.5 -0.865 12.6-171.7-141.2 97.5 -68.4 -76.7 -4.1 64 87 A Q E -a 32 0A 6 -2,-0.4 2,-0.6 -52,-0.2 -31,-0.2 -0.804 6.8-167.8 -86.3 125.1 -71.6 -76.8 -6.0 65 88 A I E -a 33 0A 0 -33,-2.4 -31,-2.1 -2,-0.5 2,-1.8 -0.889 14.1-148.1-116.5 98.9 -72.6 -73.4 -7.3 66 89 A D E >> -a 34 0A 28 -2,-0.6 4,-2.9 -52,-0.3 3,-0.8 -0.467 11.0-167.5 -64.9 89.1 -76.2 -73.4 -8.6 67 90 A b T 34 S+ 0 0 10 -33,-2.6 -1,-0.2 -2,-1.8 -32,-0.2 0.457 78.5 72.1 -63.3 2.0 -75.6 -70.8 -11.2 68 91 A T T 34 S+ 0 0 53 -34,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.947 118.4 11.3 -73.6 -56.4 -79.4 -70.6 -11.5 69 92 A E T <4 S+ 0 0 152 -3,-0.8 2,-1.3 1,-0.2 3,-0.3 0.825 127.7 57.4 -95.2 -37.8 -80.0 -68.8 -8.2 70 93 A N S < S+ 0 0 14 -4,-2.9 4,-0.5 1,-0.2 3,-0.4 -0.327 75.2 137.5 -83.5 53.3 -76.4 -67.8 -7.4 71 94 A Q >> + 0 0 110 -2,-1.3 3,-1.8 -3,-0.3 4,-0.5 0.913 55.7 56.8 -75.8 -45.9 -76.4 -66.0 -10.8 72 95 A D H 3> S+ 0 0 129 -3,-0.3 4,-1.1 1,-0.3 3,-0.2 0.682 102.5 59.9 -63.9 -18.5 -74.6 -62.7 -10.0 73 96 A L H 34 S+ 0 0 11 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.692 94.2 63.4 -77.0 -23.7 -71.6 -64.8 -8.7 74 97 A b H <4>S+ 0 0 19 -3,-1.8 5,-0.8 -4,-0.5 -1,-0.2 0.672 100.1 56.5 -70.3 -17.7 -71.3 -66.4 -12.2 75 98 A M H <5S+ 0 0 109 -4,-0.5 -2,-0.2 -3,-0.2 -1,-0.2 0.944 101.7 49.9 -79.1 -51.5 -70.6 -62.8 -13.4 76 99 A E T <5S+ 0 0 109 -4,-1.1 2,-0.4 1,-0.1 -1,-0.2 0.536 115.4 55.9 -63.6 -4.6 -67.6 -62.2 -11.1 77 100 A H T 5S- 0 0 7 -4,-0.2 2,-2.2 2,-0.0 -1,-0.1 -0.960 90.2-130.1-133.1 116.8 -66.4 -65.6 -12.5 78 101 A N T 5 - 0 0 141 -2,-0.4 -3,-0.1 1,-0.0 -4,-0.1 -0.332 33.5-170.9 -72.5 77.9 -66.1 -66.1 -16.3 79 102 A I < - 0 0 30 -2,-2.2 3,-0.1 -5,-0.8 -1,-0.0 -0.476 15.7-168.1 -76.5 131.0 -68.0 -69.3 -16.7 80 103 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.967 59.2 -40.6 -74.1 -75.2 -67.9 -71.1 -20.1 81 104 A G S S- 0 0 37 2,-0.1 -48,-0.1 -48,-0.1 0, 0.0 -0.923 80.2 -41.6-151.0 171.8 -70.7 -73.8 -19.9 82 105 A F S S+ 0 0 73 -2,-0.3 -48,-0.1 1,-0.1 -42,-0.1 -0.677 112.6 30.2 -94.2 142.6 -72.2 -76.3 -17.5 83 106 A P S S- 0 0 10 0, 0.0 2,-0.5 0, 0.0 -49,-0.2 0.648 78.5-169.3 -79.9 149.4 -70.8 -78.1 -15.6 84 107 A S B -C 33 0A 4 -51,-3.3 -51,-2.0 -2,-0.1 -2,-0.1 -0.916 11.7-176.8-105.1 124.0 -67.8 -75.9 -14.9 85 108 A L + 0 0 12 -2,-0.5 14,-1.1 -53,-0.2 2,-0.7 -0.290 22.1 154.4-113.4 43.0 -64.9 -77.6 -13.0 86 109 A K E - D 0 98A 12 12,-0.3 -55,-0.5 -56,-0.1 2,-0.4 -0.662 28.1-162.3 -73.3 113.3 -62.7 -74.5 -12.7 87 110 A I E -BD 30 97A 11 10,-1.1 10,-0.7 -2,-0.7 2,-0.3 -0.889 7.6-138.0-112.5 130.3 -60.6 -75.4 -9.6 88 111 A F E -B 29 0A 0 -59,-1.0 -59,-1.0 -2,-0.4 8,-0.1 -0.663 16.3-171.8 -96.9 137.8 -58.7 -72.8 -7.6 89 112 A K S S+ 0 0 50 6,-0.4 -60,-0.5 -2,-0.3 -1,-0.1 0.648 78.0 9.3 -94.4-115.3 -55.2 -73.4 -6.2 90 113 A N S S- 0 0 95 -62,-0.1 -62,-0.1 1,-0.1 -2,-0.1 0.690 113.2-117.9 -42.4 -20.8 -53.4 -71.0 -3.8 91 114 A S + 0 0 9 1,-0.3 2,-0.3 4,-0.1 -1,-0.1 0.993 66.2 134.7 81.6 68.0 -56.9 -69.6 -3.9 92 115 A D - 0 0 75 3,-0.1 2,-0.5 -69,-0.0 -1,-0.3 -0.758 67.8-103.3-112.4 175.3 -57.3 -66.1 -5.2 93 116 A V S S+ 0 0 41 -2,-0.3 3,-0.1 1,-0.1 -73,-0.0 -0.323 108.6 67.1 -98.3 50.1 -60.1 -65.4 -7.6 94 117 A N S S+ 0 0 127 -2,-0.5 2,-1.1 1,-0.1 -1,-0.1 0.528 74.9 77.8-117.9 -63.9 -57.8 -65.4 -10.7 95 118 A N + 0 0 48 1,-0.1 2,-0.4 2,-0.0 -6,-0.4 -0.275 53.5 155.9 -57.3 90.4 -56.4 -68.9 -11.2 96 119 A S - 0 0 31 -2,-1.1 2,-1.1 -8,-0.1 -8,-0.1 -0.609 17.3-177.3-122.7 69.4 -59.5 -70.6 -12.8 97 120 A I E -D 87 0A 84 -10,-0.7 2,-2.4 -2,-0.4 -10,-1.1 -0.563 24.6-140.4 -72.9 97.7 -58.2 -73.6 -14.8 98 121 A D E -D 86 0A 102 -2,-1.1 2,-0.3 -12,-0.2 -12,-0.3 -0.326 21.5-148.6 -61.8 76.1 -61.4 -75.0 -16.4 99 122 A Y - 0 0 38 -2,-2.4 -14,-0.2 -14,-1.1 -1,-0.1 -0.281 21.2-177.2 -58.2 110.3 -60.5 -78.7 -15.9 100 123 A E + 0 0 166 -2,-0.3 -1,-0.2 -16,-0.1 3,-0.1 0.143 43.3 120.9 -95.7 17.1 -62.0 -80.7 -18.8 101 124 A G S S- 0 0 18 1,-0.2 7,-0.1 -16,-0.1 6,-0.0 -0.315 73.1 -44.2 -78.7 169.9 -60.8 -84.0 -17.3 102 125 A P - 0 0 73 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.341 40.4-139.7 -38.5 155.4 -63.1 -87.0 -16.4 103 126 A R + 0 0 91 -3,-0.1 2,-0.3 4,-0.1 -56,-0.2 -0.306 65.6 107.4-115.7 46.0 -66.3 -86.5 -14.4 104 127 A T > - 0 0 48 1,-0.1 4,-1.8 -57,-0.1 5,-0.1 -0.775 67.6-132.7-119.0 164.5 -65.9 -89.6 -12.2 105 128 A A H > S+ 0 0 2 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.938 108.1 46.3 -80.5 -52.4 -65.1 -89.9 -8.5 106 129 A E H 4 S+ 0 0 115 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.616 117.6 48.7 -70.0 -14.5 -62.5 -92.6 -8.7 107 130 A A H >> S+ 0 0 31 2,-0.1 3,-1.5 3,-0.1 4,-0.5 0.924 118.1 33.1 -81.8 -66.4 -61.0 -90.6 -11.6 108 131 A I H 3X S+ 0 0 16 -4,-1.8 4,-0.9 1,-0.3 -2,-0.2 0.664 99.4 80.2 -74.5 -17.0 -60.8 -87.1 -10.1 109 132 A V H >< S+ 0 0 36 -4,-2.7 3,-0.8 1,-0.2 -1,-0.3 0.910 97.1 49.6 -43.5 -41.5 -60.2 -88.4 -6.6 110 133 A Q H X4 S+ 0 0 135 -3,-1.5 3,-2.1 1,-0.2 -1,-0.2 0.850 100.2 61.6 -70.6 -36.3 -56.7 -88.6 -8.0 111 134 A F H >< S+ 0 0 61 -4,-0.5 3,-1.0 1,-0.3 4,-0.4 0.581 90.1 69.0 -71.3 -11.7 -56.6 -85.1 -9.4 112 135 A M T << S+ 0 0 22 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.549 98.1 53.1 -79.2 -10.3 -57.1 -83.8 -5.8 113 136 A I T < S+ 0 0 78 -3,-2.1 -1,-0.3 -5,-0.2 3,-0.2 -0.319 82.7 97.0-107.8 42.2 -53.5 -85.1 -5.5 114 137 A K S < S+ 0 0 118 -3,-1.0 2,-0.2 1,-0.2 -2,-0.2 0.839 101.5 17.0 -88.8 -49.4 -52.6 -83.0 -8.5 115 138 A Q S S- 0 0 52 -4,-0.4 2,-0.2 -3,-0.1 -1,-0.2 -0.595 82.9-178.6-119.6 67.6 -51.3 -80.2 -6.3 116 139 A S - 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