==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-OCT-09 2KP2 . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR K.KATO,Y.YAMAGUCHI,O.SERVE . 133 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 18 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 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 G 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.4 -15.1 -22.1 4.7 2 2 A P + 0 0 125 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.188 360.0 114.7 -92.0 16.8 -13.3 -18.8 5.4 3 3 A L + 0 0 153 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.568 54.6 47.6 -87.3 152.1 -10.8 -19.4 2.6 4 4 A G S S- 0 0 74 -2,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.961 79.6-154.3 80.3 63.8 -10.7 -17.1 -0.4 5 5 A S - 0 0 34 1,-0.1 2,-0.4 10,-0.1 -2,-0.1 -0.272 30.6 -89.5 -67.0 153.0 -10.8 -13.8 1.3 6 6 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.580 37.7-155.1 -61.0 117.9 -12.1 -10.7 -0.4 7 7 A L S S+ 0 0 38 -2,-0.4 50,-1.9 1,-0.2 2,-0.6 0.750 86.7 48.3 -76.0 -24.1 -8.9 -9.5 -2.1 8 8 A I E S+a 57 0A 70 48,-0.2 -1,-0.2 50,-0.1 50,-0.2 -0.951 95.3 81.3-113.1 106.0 -10.3 -6.0 -2.1 9 9 A G E S-a 58 0A 21 48,-2.4 50,-3.1 -2,-0.6 2,-0.4 -0.743 82.0 -33.1-168.4-144.3 -11.7 -5.3 1.3 10 10 A E E -a 59 0A 106 48,-0.3 2,-0.5 -2,-0.2 50,-0.2 -0.849 47.7-132.2-107.8 138.7 -10.6 -4.2 4.7 11 11 A I + 0 0 8 48,-2.3 50,-0.4 -2,-0.4 47,-0.0 -0.715 41.8 147.8 -88.2 128.0 -7.3 -5.1 6.3 12 12 A G > - 0 0 19 -2,-0.5 4,-2.7 48,-0.1 5,-0.3 -0.860 63.9 -72.9-146.2-176.4 -7.6 -6.3 9.7 13 13 A P T 4 S+ 0 0 88 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 0.655 130.9 39.8 -60.1 -18.4 -5.9 -8.7 12.2 14 14 A E T 4 S+ 0 0 173 2,-0.1 4,-0.5 3,-0.1 3,-0.2 0.850 119.2 41.5 -94.8 -40.8 -7.3 -11.7 10.3 15 15 A T T >> S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 3,-0.8 0.804 99.2 68.4 -86.2 -29.6 -7.0 -10.5 6.7 16 16 A Y H 3X S+ 0 0 104 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.888 99.7 52.0 -60.7 -37.5 -3.5 -9.0 6.7 17 17 A S H 3> S+ 0 0 57 -5,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.795 107.4 54.2 -67.9 -26.3 -1.9 -12.4 7.2 18 18 A D H <4 S+ 0 0 58 -3,-0.8 4,-0.5 -4,-0.5 -1,-0.2 0.900 108.4 46.4 -79.0 -34.6 -3.8 -13.7 4.3 19 19 A Y H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.3 5,-0.3 0.848 113.2 51.4 -74.9 -28.4 -2.7 -11.1 1.9 20 20 A M H < S+ 0 0 59 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.683 111.2 47.2 -79.7 -20.7 0.8 -11.7 3.3 21 21 A S T < S+ 0 0 100 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.461 95.7 75.9 -96.6 -5.5 0.3 -15.4 2.6 22 22 A A T 4 S- 0 0 50 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.1 0.858 93.3-138.4 -73.3 -34.8 -1.0 -14.7 -0.9 23 23 A G < + 0 0 41 -4,-0.7 -3,-0.1 1,-0.4 64,-0.1 0.219 68.8 104.7 97.2 -13.3 2.5 -14.0 -2.1 24 24 A I S S- 0 0 41 -5,-0.3 -1,-0.4 1,-0.1 -2,-0.2 -0.661 83.9 -83.0 -98.7 153.7 1.4 -11.0 -4.1 25 25 A P - 0 0 13 0, 0.0 31,-2.8 0, 0.0 2,-0.5 -0.192 41.1-137.0 -58.7 145.8 2.0 -7.3 -3.1 26 26 A L E -bC 56 85A 0 59,-2.9 59,-3.5 29,-0.2 2,-0.8 -0.912 3.3-148.8-111.0 127.2 -0.5 -5.7 -0.7 27 27 A A E -bC 57 84A 0 29,-3.4 31,-2.2 -2,-0.5 2,-0.8 -0.863 14.8-158.4 -96.8 109.0 -1.8 -2.3 -1.2 28 28 A Y E -bC 58 83A 12 55,-3.4 55,-3.3 -2,-0.8 2,-1.1 -0.806 4.7-165.6 -90.2 110.5 -2.4 -0.8 2.1 29 29 A I E -bC 59 82A 2 29,-3.0 31,-2.9 -2,-0.8 2,-0.4 -0.791 8.5-169.5-101.3 91.1 -4.8 2.0 2.0 30 30 A F E +bC 60 81A 0 51,-2.5 51,-0.9 -2,-1.1 2,-0.4 -0.680 10.8 173.2 -76.4 128.2 -4.5 3.7 5.3 31 31 A A E -b 61 0A 4 29,-2.1 31,-2.0 -2,-0.4 32,-0.4 -0.950 29.3-178.6-143.5 119.4 -7.2 6.2 5.8 32 32 A E + 0 0 84 -2,-0.4 2,-0.6 30,-0.3 -1,-0.1 0.399 67.4 99.7 -85.0 -2.1 -8.0 8.2 8.9 33 33 A T + 0 0 23 1,-0.2 29,-0.1 2,-0.1 7,-0.1 -0.767 46.7 177.7 -91.6 123.5 -10.9 9.6 7.0 34 34 A A S S+ 0 0 80 -2,-0.6 4,-0.3 3,-0.1 -1,-0.2 0.706 79.9 46.3 -95.0 -21.0 -14.2 8.0 7.7 35 35 A E S > S+ 0 0 165 2,-0.2 3,-1.3 1,-0.1 4,-0.4 0.975 120.0 31.9 -86.1 -66.4 -16.2 10.3 5.3 36 36 A E T 3> S+ 0 0 92 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.470 96.3 96.1 -73.7 1.6 -14.2 10.4 2.1 37 37 A R H 3> S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.893 82.3 52.4 -54.5 -43.0 -13.2 6.8 3.0 38 38 A K H <> S+ 0 0 147 -3,-1.3 4,-1.3 -4,-0.3 -1,-0.2 0.936 113.7 41.2 -60.6 -49.4 -16.0 5.7 0.8 39 39 A E H > S+ 0 0 100 -4,-0.4 4,-1.6 2,-0.2 5,-0.3 0.905 112.8 55.3 -64.8 -43.8 -14.8 7.9 -2.2 40 40 A L H >X S+ 0 0 5 -4,-3.4 4,-1.4 1,-0.3 3,-0.8 0.967 115.3 37.7 -54.2 -52.7 -11.2 7.0 -1.5 41 41 A S H 3X S+ 0 0 21 -4,-2.8 4,-1.3 1,-0.3 -1,-0.3 0.723 107.8 67.7 -76.2 -18.9 -11.9 3.3 -1.8 42 42 A D H 3< S+ 0 0 61 -4,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.813 103.8 41.8 -74.7 -31.3 -14.4 3.9 -4.6 43 43 A K H S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -2,-0.2 0.928 117.5 53.5 -69.2 -43.9 -11.9 -0.1 -10.4 47 47 A I H < S+ 0 0 7 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.829 116.4 40.6 -63.9 -24.1 -8.2 0.5 -10.2 48 48 A A H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -1,-0.3 0.691 103.8 65.0 -95.2 -21.0 -7.9 -2.6 -8.1 49 49 A E H >< S+ 0 0 120 -4,-1.4 3,-0.7 1,-0.3 -2,-0.2 0.786 98.5 58.2 -66.3 -25.1 -10.4 -4.6 -10.1 50 50 A A T 3< S+ 0 0 88 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.577 119.9 27.6 -77.4 -11.8 -7.8 -4.2 -12.8 51 51 A Q T X> S+ 0 0 18 -3,-1.2 4,-3.2 -5,-0.1 3,-1.4 -0.039 79.5 132.4-145.3 34.0 -5.3 -5.9 -10.6 52 52 A R T <4 S+ 0 0 160 -3,-0.7 -45,-0.1 1,-0.3 -3,-0.1 0.423 80.3 40.4 -74.4 -8.0 -7.6 -8.0 -8.5 53 53 A G T 34 S+ 0 0 63 -5,-0.1 -1,-0.3 -4,-0.1 3,-0.1 0.358 121.3 40.3-119.0 0.6 -5.5 -11.1 -9.0 54 54 A V T <4 S+ 0 0 60 -3,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.666 112.9 42.4-121.9 -31.1 -2.1 -9.4 -8.6 55 55 A I S < S- 0 0 0 -4,-3.2 2,-0.7 -7,-0.2 -1,-0.3 -0.960 72.0-132.2-123.2 140.4 -2.4 -6.9 -5.8 56 56 A N E - b 0 26A 0 -31,-2.8 -29,-3.4 -2,-0.4 2,-0.9 -0.802 23.4-157.0 -86.2 117.2 -4.2 -7.3 -2.5 57 57 A F E +ab 8 27A 1 -50,-1.9 -48,-2.4 -2,-0.7 2,-0.5 -0.815 22.3 163.4-103.9 103.0 -6.3 -4.2 -2.0 58 58 A G E -ab 9 28A 0 -31,-2.2 -29,-3.0 -2,-0.9 2,-0.5 -0.961 28.7-148.5-123.6 128.4 -7.0 -3.6 1.6 59 59 A T E -ab 10 29A 18 -50,-3.1 -48,-2.3 -2,-0.5 2,-0.4 -0.804 22.4-169.9 -92.4 127.7 -8.3 -0.5 3.1 60 60 A I E - b 0 30A 7 -31,-2.9 -29,-2.1 -2,-0.5 2,-0.4 -0.941 27.6-109.2-124.3 142.6 -7.0 -0.1 6.6 61 61 A D E > - b 0 31A 49 -50,-0.4 4,-1.7 -2,-0.4 -29,-0.2 -0.563 21.5-162.3 -70.5 126.0 -8.0 2.3 9.3 62 62 A A T 4 S+ 0 0 15 -31,-2.0 -30,-0.3 -2,-0.4 -1,-0.2 0.389 87.6 53.9 -92.9 7.3 -5.3 4.8 9.8 63 63 A K T 4 S+ 0 0 162 -32,-0.4 -1,-0.2 3,-0.1 -31,-0.1 0.762 120.5 26.8-104.8 -38.0 -6.7 5.9 13.1 64 64 A A T 4 S+ 0 0 74 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.830 145.9 14.7 -92.1 -42.5 -6.9 2.5 14.8 65 65 A F S >< S+ 0 0 85 -4,-1.7 3,-1.5 1,-0.1 4,-0.2 0.093 90.8 117.0-119.7 27.0 -4.1 0.7 12.9 66 66 A G G >> + 0 0 5 1,-0.3 3,-2.3 2,-0.2 4,-0.5 0.752 58.8 75.5 -70.8 -24.2 -2.5 3.8 11.3 67 67 A A G >4 S+ 0 0 65 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.792 84.7 68.9 -54.5 -28.6 0.8 3.2 13.1 68 68 A H G X> S+ 0 0 85 -3,-1.5 4,-0.7 1,-0.2 3,-0.6 0.754 82.7 73.2 -64.9 -23.1 1.4 0.5 10.6 69 69 A A H <>>S+ 0 0 2 -3,-2.3 5,-1.9 1,-0.3 4,-1.5 0.871 107.9 32.8 -64.1 -36.2 1.7 3.1 7.8 70 70 A G H <<5S+ 0 0 31 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.395 98.8 78.1-105.1 7.5 5.1 4.1 9.1 71 71 A N H <45S+ 0 0 133 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.638 113.8 30.5 -74.8 -16.9 6.0 0.7 10.3 72 72 A L H <5S- 0 0 22 -4,-0.7 -2,-0.3 -3,-0.2 -3,-0.1 0.738 144.1 -65.1-104.2 -37.6 6.6 0.4 6.7 73 73 A N T <5S+ 0 0 37 -4,-1.5 -3,-0.3 1,-0.2 -4,-0.1 0.226 89.6 104.3-176.4 -52.2 7.5 4.1 5.8 74 74 A L < - 0 0 20 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.022 64.5-126.1 -65.4 159.6 5.0 7.0 6.2 75 75 A K - 0 0 108 1,-0.1 -1,-0.1 -6,-0.1 -5,-0.1 0.515 30.7-138.4 -81.1 -4.3 5.0 9.6 9.0 76 76 A T S S+ 0 0 61 1,-0.1 -1,-0.1 3,-0.1 -10,-0.0 0.628 73.6 113.3 56.4 17.4 1.3 8.8 9.8 77 77 A D + 0 0 81 2,-0.0 2,-0.1 0, 0.0 -1,-0.1 0.593 65.5 43.0 -94.4 -15.0 0.9 12.5 10.2 78 78 A K S S- 0 0 95 1,-0.3 -46,-0.2 0, 0.0 20,-0.2 -0.404 94.9 -49.4-123.5-165.3 -1.3 13.4 7.3 79 79 A F S S- 0 0 127 18,-0.9 -1,-0.3 1,-0.2 -3,-0.1 -0.003 95.4 -29.9 -61.5 173.1 -4.5 12.4 5.3 80 80 A P - 0 0 2 0, 0.0 2,-0.7 0, 0.0 -49,-0.3 0.126 64.9-147.1 -40.1 131.2 -4.9 8.7 3.9 81 81 A A E -C 30 0A 2 -51,-0.9 -51,-2.5 -3,-0.2 2,-0.8 -0.891 4.6-155.5-109.7 110.1 -1.7 7.1 3.3 82 82 A F E +C 29 0A 0 -2,-0.7 13,-3.9 14,-0.4 2,-0.5 -0.782 19.1 178.5 -88.8 112.4 -1.5 4.6 0.4 83 83 A A E -CD 28 94A 0 -55,-3.3 -55,-3.4 -2,-0.8 2,-0.8 -0.957 19.1-152.9-121.0 120.3 1.3 2.2 1.0 84 84 A I E -CD 27 93A 0 9,-1.8 9,-3.2 -2,-0.5 2,-0.5 -0.806 15.0-162.4 -92.7 113.3 2.1 -0.7 -1.3 85 85 A Q E -CD 26 92A 20 -59,-3.5 -59,-2.9 -2,-0.8 2,-0.6 -0.785 13.2-135.2 -93.2 134.3 3.8 -3.4 0.6 86 86 A E - 0 0 10 5,-3.7 4,-0.1 -2,-0.5 -62,-0.1 -0.789 18.1-175.2 -87.5 127.0 5.7 -5.9 -1.2 87 87 A V S S+ 0 0 32 -2,-0.6 -1,-0.2 2,-0.1 -63,-0.1 0.477 91.1 38.5 -95.3 -2.8 5.0 -9.4 -0.1 88 88 A A S S+ 0 0 75 3,-0.1 -2,-0.1 -3,-0.0 -64,-0.1 0.783 130.5 25.2-111.8 -44.1 7.6 -10.6 -2.5 89 89 A K S S- 0 0 117 2,-0.1 -2,-0.1 -4,-0.0 3,-0.1 0.548 93.8-134.2 -97.8 -11.1 10.3 -7.9 -2.3 90 90 A N + 0 0 104 1,-0.2 -3,-0.1 -4,-0.1 2,-0.0 0.507 62.7 137.1 66.9 10.6 9.3 -6.9 1.3 91 91 A Q - 0 0 39 -6,-0.1 -5,-3.7 2,-0.0 2,-0.4 -0.169 52.7-136.0 -80.1 172.3 9.6 -3.4 -0.1 92 92 A K E -D 85 0A 38 -7,-0.3 29,-0.5 -3,-0.1 -7,-0.2 -0.946 16.2-175.9-139.4 105.1 7.2 -0.6 0.5 93 93 A F E +D 84 0A 8 -9,-3.2 -9,-1.8 -2,-0.4 2,-0.3 -0.843 25.3 176.9-100.3 86.4 6.2 1.6 -2.4 94 94 A P E -D 83 0A 9 0, 0.0 -11,-0.3 0, 0.0 2,-0.2 -0.687 23.3-133.7-102.0 152.6 4.0 4.2 -0.6 95 95 A F - 0 0 17 -13,-3.9 6,-0.1 -2,-0.3 -21,-0.0 -0.504 38.6 -83.1 -94.7 163.0 2.3 7.3 -1.9 96 96 A D - 0 0 67 -2,-0.2 -14,-0.4 1,-0.1 3,-0.4 -0.326 22.3-150.7 -66.2 153.2 2.3 10.7 -0.3 97 97 A Q S S+ 0 0 9 1,-0.2 -18,-0.9 -16,-0.1 -1,-0.1 0.395 98.0 49.3-102.2 1.0 -0.1 11.4 2.6 98 98 A E S S+ 0 0 113 -20,-0.2 -1,-0.2 2,-0.1 -17,-0.1 -0.082 99.7 67.9-132.4 28.4 -0.1 15.0 1.5 99 99 A K S S- 0 0 128 -3,-0.4 2,-0.2 -20,-0.1 -2,-0.1 0.640 97.5 -78.3-113.6 -89.5 -0.8 14.7 -2.1 100 100 A E - 0 0 118 -4,-0.3 2,-0.8 -20,-0.1 -4,-0.1 -0.711 22.2-142.9 176.4 127.3 -4.2 13.4 -3.3 101 101 A I + 0 0 23 -2,-0.2 2,-0.2 -4,-0.1 -58,-0.1 -0.889 42.3 144.8-102.6 105.4 -5.7 10.1 -3.6 102 102 A T > - 0 0 44 -2,-0.8 4,-1.5 1,-0.1 5,-0.2 -0.632 61.2 -97.2-123.4-169.0 -7.8 9.9 -6.7 103 103 A F H > S+ 0 0 69 -2,-0.2 4,-2.7 2,-0.2 5,-0.1 0.980 123.0 39.3 -77.6 -53.2 -8.6 7.2 -9.2 104 104 A E H > S+ 0 0 109 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.859 112.6 55.7 -60.4 -46.8 -6.0 8.2 -11.6 105 105 A A H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 115.0 38.1 -58.8 -47.8 -3.3 9.1 -9.1 106 106 A I H X S+ 0 0 0 -4,-1.5 4,-3.2 2,-0.2 5,-0.4 0.920 115.0 54.4 -71.0 -44.4 -3.4 5.7 -7.5 107 107 A K H X S+ 0 0 76 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.930 110.9 46.0 -51.3 -52.6 -3.9 3.9 -10.8 108 108 A A H X S+ 0 0 53 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.904 115.5 47.6 -59.4 -43.9 -0.8 5.7 -12.2 109 109 A F H X S+ 0 0 27 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.976 113.6 43.3 -63.4 -59.9 1.2 4.9 -9.1 110 110 A V H X S+ 0 0 2 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.852 116.0 52.4 -58.6 -31.8 0.3 1.2 -8.7 111 111 A D H X S+ 0 0 101 -4,-2.1 4,-1.8 -5,-0.4 -1,-0.2 0.927 109.9 45.9 -67.6 -47.7 0.8 0.9 -12.5 112 112 A D H X>S+ 0 0 37 -4,-2.5 5,-3.4 -5,-0.2 6,-1.6 0.789 115.1 50.3 -70.8 -23.8 4.2 2.4 -12.3 113 113 A F H <5S+ 0 0 8 -4,-2.3 3,-0.5 4,-0.3 -2,-0.2 0.978 111.4 43.9 -71.2 -61.3 5.0 0.2 -9.3 114 114 A V H <5S+ 0 0 71 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.750 112.7 54.2 -62.0 -25.3 4.0 -3.1 -10.8 115 115 A A H <5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.847 122.6-106.2 -77.4 -33.8 5.7 -2.2 -14.0 116 116 A G T <5S+ 0 0 63 -4,-1.0 -3,-0.2 -3,-0.5 -2,-0.1 0.651 89.7 109.1 118.2 25.9 8.9 -1.5 -12.1 117 117 A K < + 0 0 149 -5,-3.4 -4,-0.3 -6,-0.2 2,-0.2 0.766 55.3 84.0-101.2 -32.7 9.3 2.1 -12.1 118 118 A I - 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