==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-MAY-11 3S6M . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 163 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 17 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 -2 A P 0 0 168 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 30.0 3.9 10.4 -1.5 2 -1 A G - 0 0 18 1,-0.2 17,-0.2 17,-0.1 125,-0.0 -0.422 360.0 -77.2 -86.6 167.5 4.9 14.1 -1.8 3 0 A S - 0 0 33 -2,-0.1 15,-3.2 14,-0.1 2,-0.4 -0.274 51.5-139.7 -55.2 151.0 8.4 15.6 -1.9 4 1 A M E -A 17 0A 42 160,-0.7 160,-2.4 13,-0.2 2,-0.4 -0.973 20.4-177.9-126.2 134.3 10.0 15.6 1.5 5 2 A V E -AB 16 163A 0 11,-2.0 11,-3.1 -2,-0.4 2,-0.5 -0.994 13.5-150.7-132.7 139.0 12.1 18.4 3.1 6 3 A E E -AB 15 162A 46 156,-3.0 156,-2.1 -2,-0.4 2,-0.7 -0.944 3.0-157.2-109.0 125.5 13.8 18.6 6.5 7 4 A L E -AB 14 161A 0 7,-3.1 7,-2.4 -2,-0.5 2,-1.2 -0.910 10.1-157.0 -95.9 108.2 14.3 21.9 8.1 8 5 A H E +AB 13 160A 63 152,-3.3 151,-2.0 -2,-0.7 152,-1.4 -0.774 23.1 178.3 -88.5 97.0 17.2 21.4 10.6 9 6 A T E > -AB 12 158A 8 3,-2.1 3,-1.6 -2,-1.2 149,-0.2 -0.526 47.0-105.3 -91.9 169.0 16.6 24.2 13.1 10 7 A N T 3 S+ 0 0 70 147,-2.0 148,-0.1 1,-0.3 3,-0.1 0.554 125.5 49.6 -69.8 -4.3 18.5 25.0 16.2 11 8 A H T 3 S- 0 0 74 1,-0.4 -1,-0.3 146,-0.3 2,-0.2 0.274 126.9 -80.9-108.4 3.5 15.5 23.5 18.1 12 9 A G E < -A 9 0A 27 -3,-1.6 -3,-2.1 2,-0.0 -1,-0.4 -0.644 63.0 -40.3 120.2 180.0 15.4 20.2 16.0 13 10 A V E -A 8 0A 55 -5,-0.2 2,-0.5 -2,-0.2 122,-0.2 -0.700 36.2-165.3 -91.9 131.1 14.1 18.9 12.7 14 11 A I E -A 7 0A 0 -7,-2.4 -7,-3.1 -2,-0.4 2,-0.5 -0.964 15.7-155.5-107.3 120.0 10.8 19.8 11.2 15 12 A K E -AC 6 131A 40 116,-2.8 115,-2.7 -2,-0.5 116,-1.4 -0.887 8.2-162.3-104.1 129.3 9.9 17.4 8.4 16 13 A L E -AC 5 129A 0 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.5 -0.873 13.1-156.6-110.8 138.4 7.6 18.5 5.6 17 14 A E E -AC 4 128A 65 111,-2.8 111,-2.1 -2,-0.4 -13,-0.2 -0.980 23.7-152.0-108.7 125.5 5.6 16.5 3.1 18 15 A L E - C 0 127A 3 -15,-3.2 2,-0.5 -2,-0.5 109,-0.3 -0.522 11.5-139.1 -98.5 159.4 4.8 18.7 0.1 19 16 A D > + 0 0 49 107,-2.7 4,-2.2 -2,-0.2 3,-0.3 -0.723 27.7 165.6-119.5 81.2 1.8 18.4 -2.3 20 17 A E T 4 S+ 0 0 69 -2,-0.5 -1,-0.1 1,-0.2 8,-0.1 0.756 74.8 63.3 -69.2 -22.7 3.2 19.0 -5.8 21 18 A A T 4 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.926 116.3 28.4 -64.7 -40.6 -0.1 17.7 -7.3 22 19 A K T 4 S+ 0 0 112 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.694 136.0 28.6 -95.5 -20.3 -2.1 20.5 -5.8 23 20 A A X + 0 0 0 -4,-2.2 4,-2.9 103,-0.1 5,-0.3 -0.477 70.0 157.4-136.2 63.6 0.5 23.2 -5.6 24 21 A P H > S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.899 76.1 39.9 -63.6 -45.7 2.9 22.5 -8.5 25 22 A K H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.872 117.4 51.1 -68.0 -40.0 4.5 25.9 -9.0 26 23 A T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 112.2 45.1 -64.6 -43.0 4.6 26.5 -5.2 27 24 A V H X S+ 0 0 2 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.937 113.3 50.4 -68.1 -42.5 6.4 23.2 -4.5 28 25 A E H X S+ 0 0 123 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.939 112.4 47.5 -56.6 -47.9 8.8 23.8 -7.4 29 26 A N H X S+ 0 0 15 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.911 113.3 47.6 -60.6 -48.4 9.6 27.3 -6.1 30 27 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.936 112.5 48.4 -60.2 -48.4 10.1 26.0 -2.5 31 28 A L H X S+ 0 0 26 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.871 107.4 57.2 -62.4 -35.9 12.3 23.1 -3.6 32 29 A N H X S+ 0 0 73 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.918 109.1 44.9 -57.8 -45.6 14.3 25.6 -5.8 33 30 A Y H X>S+ 0 0 5 -4,-1.9 5,-2.1 2,-0.2 4,-0.5 0.899 113.6 50.3 -66.5 -41.1 15.1 27.7 -2.7 34 31 A V H ><5S+ 0 0 5 -4,-2.4 3,-1.2 1,-0.2 127,-0.2 0.949 113.8 44.4 -58.9 -51.7 15.9 24.6 -0.6 35 32 A K H 3<5S+ 0 0 145 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 108.7 56.8 -67.4 -30.7 18.3 23.2 -3.2 36 33 A K H 3<5S- 0 0 131 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.612 114.4-117.6 -72.0 -14.7 19.9 26.6 -3.8 37 34 A G T X<5S+ 0 0 18 -3,-1.2 3,-0.9 -4,-0.5 -3,-0.2 0.600 70.6 139.2 84.7 10.4 20.7 26.7 -0.0 38 35 A H T 3 < + 0 0 8 -5,-2.1 -4,-0.2 1,-0.2 -5,-0.1 0.882 66.9 49.0 -55.0 -45.4 18.5 29.8 0.5 39 36 A Y T > S+ 0 0 0 -6,-0.5 3,-2.1 2,-0.1 2,-0.4 0.677 83.8 108.3 -74.5 -14.1 17.0 28.7 3.8 40 37 A D T < S+ 0 0 43 -3,-0.9 119,-0.2 1,-0.3 120,-0.2 -0.481 91.6 9.9 -69.2 120.1 20.3 27.8 5.3 41 38 A G T 3 S+ 0 0 29 117,-2.9 -1,-0.3 -2,-0.4 2,-0.2 0.586 100.3 124.6 84.9 10.8 21.1 30.4 7.9 42 39 A T E < -D 158 0A 0 -3,-2.1 116,-3.2 116,-0.8 -1,-0.3 -0.542 46.7-142.6 -94.0 169.0 17.7 32.0 7.9 43 40 A I E -D 157 0A 2 15,-2.4 13,-1.4 114,-0.3 2,-0.9 -0.760 24.1-107.3-123.6 167.7 15.5 32.5 10.9 44 41 A F + 0 0 0 112,-2.4 112,-0.3 11,-0.3 11,-0.3 -0.874 43.8 174.7 -88.9 100.0 11.8 32.5 12.0 45 42 A H + 0 0 26 -2,-0.9 2,-0.4 9,-0.4 10,-0.2 0.571 62.0 48.7 -89.4 -10.4 11.5 36.2 12.3 46 43 A R E +E 54 0A 94 8,-1.6 8,-2.9 105,-0.1 2,-0.5 -0.925 63.4 170.0-137.0 107.9 7.8 36.4 13.1 47 44 A V E +E 53 0A 2 103,-2.8 2,-0.5 -2,-0.4 6,-0.2 -0.979 3.5 172.5-124.7 118.5 6.4 34.1 15.7 48 45 A I E >> -E 52 0A 42 4,-2.6 3,-1.9 -2,-0.5 4,-1.2 -0.932 27.6-137.0-131.2 105.2 2.8 34.5 17.0 49 46 A N T 34 S+ 0 0 92 -2,-0.5 92,-0.1 1,-0.3 3,-0.1 -0.284 92.7 25.8 -61.8 142.4 1.6 31.8 19.3 50 47 A G T 34 S+ 0 0 38 55,-0.2 -1,-0.3 1,-0.2 91,-0.0 0.450 129.6 46.3 80.7 -0.2 -2.0 30.8 18.5 51 48 A F T <4 S- 0 0 38 -3,-1.9 54,-2.6 1,-0.2 55,-0.4 0.461 106.4 -53.6-135.6 -80.4 -1.4 31.9 14.9 52 49 A M E < -EF 48 104A 2 -4,-1.2 -4,-2.6 52,-0.3 2,-0.4 -0.980 28.2-124.0-165.8 165.7 1.7 31.0 12.9 53 50 A I E -EF 47 103A 0 50,-2.0 50,-2.6 -2,-0.3 2,-0.4 -0.996 29.5-165.3-122.1 128.5 5.5 31.0 12.7 54 51 A Q E +EF 46 102A 18 -8,-2.9 -8,-1.6 -2,-0.4 -9,-0.4 -0.933 22.8 126.1-122.0 136.9 7.0 32.6 9.7 55 52 A G E + F 0 101A 0 46,-2.5 46,-2.1 -2,-0.4 -11,-0.3 -0.874 22.2 98.6-162.5-166.6 10.6 32.4 8.4 56 53 A G S S+ 0 0 0 -13,-1.4 -12,-0.1 2,-0.3 -1,-0.1 0.542 82.2 77.1 84.8 9.5 13.0 31.6 5.5 57 54 A G S S+ 0 0 2 -14,-0.6 8,-2.5 1,-0.2 2,-0.3 0.724 83.2 49.6-113.2 -37.6 13.6 35.3 4.6 58 55 A F E -I 64 0B 40 -15,-0.4 -15,-2.4 6,-0.2 -2,-0.3 -0.830 61.7-141.8-116.6 146.4 15.9 37.0 7.0 59 56 A E E >> -I 63 0B 47 4,-3.2 3,-1.9 -2,-0.3 4,-0.6 -0.480 55.1 -64.4 -88.1 168.4 19.3 36.1 8.5 60 57 A P T 34 S+ 0 0 65 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 -0.290 130.2 35.5 -51.7 142.8 20.2 36.9 12.1 61 58 A G T 34 S- 0 0 77 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.437 128.8 -86.2 82.0 2.6 20.2 40.7 12.6 62 59 A L T <4 S+ 0 0 87 -3,-1.9 2,-0.6 1,-0.3 -1,-0.2 0.822 74.9 158.7 66.6 37.2 17.2 40.9 10.1 63 60 A K E < -I 59 0B 126 -4,-0.6 -4,-3.2 -3,-0.4 2,-0.4 -0.823 38.9-131.4 -84.5 123.3 19.3 41.0 6.9 64 61 A Q E -I 58 0B 105 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.0 -0.622 12.7-132.1 -81.3 131.0 17.1 39.9 4.1 65 62 A K - 0 0 38 -8,-2.5 -1,-0.0 -2,-0.4 -27,-0.0 -0.611 32.6-102.2 -76.5 139.1 18.5 37.3 1.7 66 63 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.309 42.7-160.5 -58.9 140.1 18.0 38.1 -2.0 67 64 A T - 0 0 53 1,-0.1 2,-0.1 -3,-0.0 -10,-0.0 -0.790 12.8-117.3-118.7 169.0 15.2 36.3 -3.7 68 65 A D - 0 0 112 -2,-0.3 31,-0.1 1,-0.2 -1,-0.1 -0.181 58.8 -49.1 -88.8-176.5 14.2 35.4 -7.2 69 66 A A - 0 0 63 1,-0.1 -1,-0.2 -2,-0.1 27,-0.0 -0.242 66.2-102.8 -62.8 144.9 11.1 36.5 -9.1 70 67 A P - 0 0 75 0, 0.0 2,-0.2 0, 0.0 28,-0.2 -0.223 33.7-131.6 -67.9 158.7 7.7 36.1 -7.4 71 68 A I B -J 97 0C 25 26,-2.4 26,-0.6 1,-0.1 2,-0.1 -0.692 23.0 -93.6-110.4 160.3 5.3 33.3 -8.2 72 69 A A - 0 0 38 -2,-0.2 2,-0.5 24,-0.1 23,-0.1 -0.375 47.5-102.8 -67.9 149.3 1.6 33.1 -9.0 73 70 A N - 0 0 16 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.662 32.5-177.7 -79.3 123.6 -0.8 32.3 -6.1 74 71 A E > + 0 0 24 -2,-0.5 3,-1.4 1,-0.1 51,-0.1 0.028 45.2 120.5-106.3 25.1 -2.0 28.7 -6.0 75 72 A A G > + 0 0 4 1,-0.3 3,-0.8 47,-0.2 38,-0.4 0.635 59.6 75.8 -69.3 -14.6 -4.3 29.2 -2.9 76 73 A N G 3 + 0 0 99 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.273 66.2 98.7 -78.0 15.5 -7.3 28.2 -5.0 77 74 A N G < S- 0 0 29 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.1 0.465 96.7-117.7 -80.5 -3.8 -6.0 24.6 -4.7 78 75 A G < + 0 0 65 -3,-0.8 2,-0.4 1,-0.3 -2,-0.1 0.320 69.9 134.6 87.0 -9.9 -8.5 24.0 -1.8 79 76 A L - 0 0 43 46,-0.2 46,-0.4 -57,-0.1 -1,-0.3 -0.616 48.0-139.3 -76.0 127.9 -5.9 23.3 0.8 80 77 A K - 0 0 97 -2,-0.4 2,-2.0 -3,-0.1 29,-0.1 -0.594 17.9-113.5 -91.4 152.9 -6.7 25.1 4.0 81 78 A N + 0 0 0 27,-0.3 27,-2.4 -2,-0.2 25,-0.2 -0.405 62.7 153.7 -76.9 59.5 -4.4 26.9 6.4 82 79 A D > - 0 0 55 -2,-2.0 3,-2.4 25,-0.2 22,-0.3 -0.381 54.6 -56.6 -89.0 167.6 -5.0 24.4 9.2 83 80 A T T 3 S+ 0 0 53 1,-0.3 22,-0.2 22,-0.1 -1,-0.2 -0.136 123.7 9.8 -51.2 131.6 -2.7 23.5 12.1 84 81 A Y T 3 S+ 0 0 60 20,-2.8 45,-2.6 1,-0.3 -1,-0.3 0.326 94.2 130.4 75.2 2.4 0.7 22.2 10.9 85 82 A T E < -G 128 0A 20 -3,-2.4 19,-2.4 43,-0.2 2,-0.4 -0.475 51.6-135.5 -77.3 154.8 0.2 23.2 7.2 86 83 A I E +GH 127 103A 0 41,-2.0 40,-2.3 17,-0.2 41,-1.0 -0.917 29.2 170.8-112.1 137.5 2.9 25.2 5.4 87 84 A A E -GH 125 102A 0 15,-2.6 15,-2.5 -2,-0.4 2,-0.5 -0.918 34.3 -94.3-139.3 166.5 2.0 28.2 3.2 88 85 A M E - H 0 101A 5 36,-2.0 36,-0.3 -2,-0.3 13,-0.3 -0.724 28.9-141.6 -91.1 127.1 3.6 31.0 1.4 89 86 A A + 0 0 8 11,-1.6 9,-0.3 -2,-0.5 2,-0.3 -0.389 32.4 161.2 -68.2 160.1 4.0 34.5 2.9 90 87 A R - 0 0 42 7,-0.2 7,-0.1 -2,-0.1 2,-0.1 -0.973 38.0-100.0-168.5 168.9 3.5 37.4 0.6 91 88 A T - 0 0 88 2,-0.3 5,-0.2 -2,-0.3 6,-0.1 -0.224 60.7 -78.4 -82.8-172.4 2.7 41.1 0.4 92 89 A N S S+ 0 0 148 -2,-0.1 -1,-0.0 3,-0.1 3,-0.0 0.667 112.3 93.4 -62.8 -14.8 -0.8 42.5 -0.3 93 90 A D S > S- 0 0 84 1,-0.2 3,-1.2 3,-0.0 -2,-0.3 -0.726 77.5-144.4 -76.4 119.1 -0.0 41.8 -4.0 94 91 A P T 3 S+ 0 0 20 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.776 95.8 48.3 -59.0 -26.1 -1.5 38.3 -4.5 95 92 A H T 3 S+ 0 0 78 1,-0.2 -3,-0.1 -23,-0.1 -2,-0.0 -0.228 84.8 97.7-110.1 43.5 1.3 37.2 -6.8 96 93 A S < + 0 0 19 -3,-1.2 -1,-0.2 -5,-0.2 -24,-0.1 0.387 43.4 127.8-112.3 0.1 4.2 38.4 -4.7 97 94 A A B +J 71 0C 9 -26,-0.6 -26,-2.4 -3,-0.3 -7,-0.2 -0.353 19.0 150.1 -63.0 138.9 5.4 35.2 -2.9 98 95 A T - 0 0 27 -9,-0.3 -1,-0.1 -28,-0.2 -29,-0.1 0.294 67.9 -28.7-127.3 -94.5 9.1 34.4 -3.2 99 96 A A S S+ 0 0 0 -31,-0.1 -42,-0.1 -66,-0.1 -44,-0.1 0.822 98.4 97.7-100.1 -40.3 11.0 32.5 -0.4 100 97 A Q + 0 0 34 -12,-0.1 -11,-1.6 -43,-0.1 2,-0.3 -0.291 47.5 174.7 -61.8 139.9 9.3 33.2 3.0 101 98 A F E -FH 55 88A 0 -46,-2.1 -46,-2.5 -13,-0.3 2,-0.3 -0.813 16.6-147.1-133.0 169.8 6.9 30.7 4.3 102 99 A F E -FH 54 87A 8 -15,-2.5 -15,-2.6 -2,-0.3 2,-0.5 -0.992 9.2-140.6-142.0 150.7 4.9 30.1 7.4 103 100 A I E -FH 53 86A 0 -50,-2.6 -50,-2.0 -2,-0.3 -17,-0.2 -0.953 27.0-130.5-107.4 120.1 3.6 27.1 9.4 104 101 A N E -F 52 0A 0 -19,-2.4 -20,-2.8 -2,-0.5 -52,-0.3 -0.533 20.5-174.1 -67.0 134.7 0.1 27.5 10.7 105 102 A V S S+ 0 0 8 -54,-2.6 2,-0.3 -22,-0.2 -55,-0.2 0.040 73.0 28.1-118.2 25.5 -0.3 26.7 14.4 106 103 A N S S- 0 0 79 -55,-0.4 2,-1.4 -25,-0.2 -22,-0.1 -0.933 101.9 -81.6-162.8 172.6 -4.0 27.0 14.4 107 104 A D - 0 0 96 -2,-0.3 2,-1.7 -25,-0.2 -25,-0.2 -0.721 48.4-168.0 -86.3 91.2 -6.9 26.7 12.0 108 105 A N > + 0 0 5 -27,-2.4 3,-2.1 -2,-1.4 4,-0.3 -0.517 15.5 170.3 -89.4 75.5 -6.4 30.1 10.4 109 106 A E G > S+ 0 0 110 -2,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.823 70.5 65.3 -57.0 -36.4 -9.7 30.3 8.4 110 107 A F G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.2 12,-0.1 0.646 95.9 58.4 -67.0 -12.8 -9.1 34.0 7.5 111 108 A L G < S+ 0 0 15 -3,-2.1 12,-2.5 -30,-0.1 -1,-0.3 0.540 84.7 108.2 -88.8 -8.2 -6.0 33.1 5.5 112 109 A N S < S- 0 0 23 -3,-1.8 10,-0.2 -4,-0.3 -32,-0.1 -0.465 77.7-103.0 -80.7 140.4 -7.9 30.7 3.1 113 110 A H + 0 0 50 -38,-0.4 8,-0.2 10,-0.3 9,-0.1 -0.296 43.1 162.2 -54.0 137.3 -8.7 31.6 -0.4 114 111 A S - 0 0 93 6,-2.8 7,-0.2 1,-0.5 -1,-0.1 0.563 66.5 -12.8-124.8 -33.5 -12.3 32.7 -1.2 115 112 A S S S- 0 0 41 5,-1.3 2,-2.0 2,-0.2 -1,-0.5 -0.979 71.7 -93.9-165.6 161.6 -12.0 34.4 -4.6 116 113 A P S S+ 0 0 91 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 -0.434 85.0 108.2 -85.8 66.8 -9.4 35.7 -7.0 117 114 A T S > S- 0 0 56 -2,-2.0 4,-2.0 1,-0.0 -2,-0.2 -0.866 86.5 -97.2-132.9 166.4 -9.5 39.3 -5.7 118 115 A P T 4 S+ 0 0 103 0, 0.0 4,-0.2 0, 0.0 -1,-0.0 0.894 125.8 33.3 -56.9 -40.3 -7.1 41.4 -3.7 119 116 A Q T 4 S+ 0 0 196 1,-0.1 3,-0.3 2,-0.1 -4,-0.0 0.807 123.4 45.9 -79.4 -32.7 -9.0 40.6 -0.4 120 117 A G T 4 S+ 0 0 5 1,-0.2 -6,-2.8 -7,-0.1 -5,-1.3 0.569 82.8 90.1 -92.2 -13.6 -10.0 37.1 -1.3 121 118 A W < - 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