==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-FEB-13 4JCP . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUGIA MALAYI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 30.0 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 . 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 . 1 0.6 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 . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.8 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+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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 3 2 0 0 1 1 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 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 S 0 0 153 0, 0.0 24,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 22.5 22.1 35.4 11.1 2 3 A R - 0 0 80 23,-0.1 22,-0.1 22,-0.1 2,-0.0 -0.876 360.0-116.1 -83.8 132.7 19.2 37.9 11.1 3 4 A P - 0 0 27 0, 0.0 20,-2.6 0, 0.0 2,-0.4 -0.367 24.5-146.1 -64.8 150.4 16.1 35.7 11.1 4 5 A K E +A 22 0A 84 166,-0.5 166,-2.6 18,-0.2 2,-0.3 -0.965 19.9 176.2-118.6 137.3 13.8 36.0 8.1 5 6 A V E -AB 21 169A 0 16,-2.4 16,-3.1 -2,-0.4 2,-0.3 -0.840 10.4-150.6-132.2 167.8 10.0 35.7 8.3 6 7 A F E -AB 20 168A 17 162,-2.3 162,-1.5 -2,-0.3 2,-0.4 -0.976 12.5-154.9-143.5 153.2 7.2 36.0 5.9 7 8 A F E -AB 19 167A 0 12,-2.3 12,-2.8 -2,-0.3 2,-0.5 -0.997 11.7-152.9-118.4 131.8 3.5 36.9 5.4 8 9 A D E -AB 18 166A 24 158,-3.0 157,-1.8 -2,-0.4 158,-1.4 -0.937 26.9-151.1 -95.5 130.4 1.5 35.5 2.5 9 10 A I E -AB 17 164A 1 8,-2.6 7,-3.1 -2,-0.5 8,-1.0 -0.864 14.7-163.1-109.2 136.5 -1.2 38.1 1.9 10 11 A T E -AB 15 163A 19 153,-2.5 153,-2.2 -2,-0.4 2,-0.5 -0.921 3.7-160.7-112.6 146.2 -4.7 37.8 0.6 11 12 A I E > S-AB 14 162A 29 3,-2.7 3,-1.7 -2,-0.4 151,-0.2 -0.992 86.2 -11.3-121.4 118.7 -6.8 40.6 -0.8 12 13 A G T 3 S- 0 0 57 149,-2.3 150,-0.1 -2,-0.5 -1,-0.1 0.820 133.1 -54.9 57.4 29.5 -10.5 39.8 -0.8 13 14 A G T 3 S+ 0 0 60 148,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.255 117.2 109.0 90.1 -10.9 -9.6 36.2 -0.1 14 15 A S E < S-A 11 0A 82 -3,-1.7 -3,-2.7 1,-0.1 -1,-0.2 -0.814 77.6 -97.8-105.3 141.3 -7.2 35.9 -3.1 15 16 A N E +A 10 0A 110 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.216 34.6 176.0 -57.3 137.8 -3.4 35.6 -2.9 16 17 A A E - 0 0 34 -7,-3.1 2,-0.2 1,-0.4 -6,-0.2 0.508 53.0 -94.8-111.3 -16.5 -1.6 38.9 -3.5 17 18 A G E -A 9 0A 15 -8,-1.0 -8,-2.6 2,-0.0 -1,-0.4 -0.755 44.6 -56.4 127.9-176.0 1.9 37.5 -2.8 18 19 A R E -A 8 0A 98 -2,-0.2 2,-0.5 -10,-0.2 126,-0.2 -0.868 28.0-157.3-111.1 136.8 4.5 37.1 -0.2 19 20 A I E -A 7 0A 0 -12,-2.8 -12,-2.3 -2,-0.4 2,-0.4 -0.966 14.0-162.3-107.2 124.2 6.2 39.7 2.0 20 21 A V E -AC 6 140A 3 120,-2.5 119,-3.1 -2,-0.5 120,-1.7 -0.929 8.8-168.8-110.8 132.2 9.6 38.6 3.3 21 22 A M E -AC 5 138A 0 -16,-3.1 -16,-2.4 -2,-0.4 2,-0.4 -0.936 15.9-146.1-124.7 141.5 11.1 40.5 6.3 22 23 A E E -AC 4 137A 42 115,-3.0 115,-2.2 -2,-0.4 2,-0.4 -0.910 20.2-143.6-104.4 136.3 14.5 40.5 7.9 23 24 A L E - C 0 136A 0 -20,-2.6 2,-2.2 -2,-0.4 113,-0.3 -0.855 12.4-130.2-108.5 136.4 14.5 41.0 11.7 24 25 A F >> + 0 0 2 111,-3.0 4,-3.2 -2,-0.4 3,-1.7 -0.398 44.5 154.6 -84.8 66.8 17.3 43.0 13.5 25 26 A A T 34 S+ 0 0 32 -2,-2.2 -1,-0.2 1,-0.3 -23,-0.1 0.759 70.5 61.7 -66.8 -24.3 18.0 40.4 16.2 26 27 A D T 34 S+ 0 0 104 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.640 118.0 25.9 -70.1 -20.1 21.4 41.9 16.5 27 28 A I T <4 S+ 0 0 20 -3,-1.7 -2,-0.2 108,-0.1 -1,-0.1 0.755 138.6 19.2-114.5 -44.4 20.1 45.2 17.6 28 29 A V X + 0 0 0 -4,-3.2 4,-2.8 107,-0.1 5,-0.2 -0.646 67.7 165.1-131.1 70.2 16.6 44.5 19.2 29 30 A P H > S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.849 75.1 48.7 -61.2 -37.5 16.7 40.8 20.1 30 31 A K H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.904 115.4 44.9 -70.3 -38.3 13.7 40.9 22.4 31 32 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 113.7 49.6 -70.2 -42.0 11.5 42.8 19.9 32 33 A A H X S+ 0 0 2 -4,-2.8 4,-3.0 -8,-0.2 -2,-0.2 0.900 109.5 52.4 -63.8 -39.1 12.7 40.6 17.0 33 34 A E H X S+ 0 0 50 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.909 107.0 52.5 -67.3 -41.0 11.9 37.4 19.0 34 35 A N H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.957 113.9 42.6 -54.4 -51.7 8.4 38.6 19.8 35 36 A F H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.924 113.3 52.2 -65.5 -43.1 7.7 39.2 16.1 36 37 A R H X S+ 0 0 30 -4,-3.0 4,-2.0 1,-0.2 3,-0.3 0.934 111.3 47.3 -57.4 -46.6 9.4 36.0 15.0 37 38 A C H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.834 107.7 55.0 -67.1 -34.7 7.2 34.0 17.5 38 39 A L H < S+ 0 0 0 -4,-2.0 16,-2.8 -5,-0.2 17,-0.4 0.819 108.9 50.5 -68.1 -28.3 4.0 35.7 16.4 39 40 A C H < S+ 0 0 0 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.904 119.9 33.9 -70.4 -41.5 4.9 34.6 12.8 40 41 A T H < S- 0 0 40 -4,-2.0 -2,-0.2 128,-0.2 -3,-0.2 0.755 93.0-139.9 -86.0 -25.0 5.5 31.0 13.8 41 42 A G >< + 0 0 17 -4,-2.5 3,-1.8 11,-0.2 11,-0.2 0.503 55.2 139.8 76.2 7.0 2.9 30.8 16.5 42 43 A E T 3 + 0 0 105 -5,-0.4 -4,-0.1 1,-0.3 11,-0.1 0.654 54.9 63.9 -67.0 -19.1 5.3 28.7 18.6 43 44 A R T 3 S- 0 0 118 -6,-0.4 2,-0.6 9,-0.4 -1,-0.3 0.568 91.6-147.4 -81.5 -7.8 4.6 30.2 22.0 44 45 A G < + 0 0 31 -3,-1.8 8,-3.1 8,-0.2 2,-0.3 -0.726 53.7 15.8 89.1-119.5 1.0 29.0 22.1 45 46 A M B -I 51 0B 119 -2,-0.6 6,-0.2 6,-0.3 2,-0.1 -0.762 61.7-149.1-105.6 143.0 -1.6 31.1 23.9 46 47 A G > - 0 0 15 4,-2.8 3,-2.1 -2,-0.3 38,-0.1 -0.227 44.0 -82.1 -93.4-174.9 -1.5 34.7 25.1 47 48 A R T 3 S+ 0 0 188 36,-0.3 37,-0.0 1,-0.3 -1,-0.0 0.812 128.8 61.8 -54.9 -32.8 -3.1 36.6 28.0 48 49 A S T 3 S- 0 0 54 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.558 112.9-118.9 -69.3 -13.0 -6.2 36.8 25.8 49 50 A G S < S+ 0 0 55 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.602 81.4 114.0 74.3 12.9 -6.5 33.0 25.7 50 51 A K S S- 0 0 106 1,-0.1 -4,-2.8 -6,-0.0 -1,-0.3 -0.775 80.1 -82.4-110.2 159.2 -6.1 33.2 22.0 51 52 A K B -I 45 0B 49 -2,-0.3 2,-1.8 -6,-0.2 -6,-0.3 -0.386 32.7-127.6 -65.2 133.4 -3.2 31.9 19.9 52 53 A L S S+ 0 0 7 -8,-3.1 -9,-0.4 -11,-0.2 2,-0.3 -0.606 72.3 115.0 -76.2 80.9 -0.1 34.2 19.8 53 54 A H - 0 0 49 -2,-1.8 -14,-0.2 -13,-0.1 -15,-0.1 -0.959 63.5-148.5-160.5 128.9 -0.0 34.0 16.0 54 55 A Y > + 0 0 0 -16,-2.8 3,-2.4 -2,-0.3 110,-0.3 0.615 62.9 121.5 -73.6 -14.4 -0.5 36.5 13.1 55 56 A K T 3 S+ 0 0 113 -17,-0.4 110,-0.2 1,-0.3 3,-0.1 -0.329 82.0 9.5 -60.5 126.4 -2.0 33.8 10.9 56 57 A G T 3 S+ 0 0 54 108,-3.4 -1,-0.3 1,-0.3 109,-0.1 0.287 97.9 131.1 89.0 -7.4 -5.5 34.8 9.8 57 58 A S < - 0 0 10 -3,-2.4 107,-2.9 107,-0.3 -1,-0.3 -0.361 47.9-134.2 -79.0 158.0 -5.3 38.4 11.2 58 59 A K B -D 163 0A 29 14,-0.4 2,-0.6 105,-0.2 14,-0.5 -0.715 18.2-109.7-108.3 157.7 -6.2 41.4 9.1 59 60 A F - 0 0 5 103,-2.4 103,-0.4 -2,-0.3 11,-0.3 -0.805 28.3-163.0 -80.7 124.0 -4.6 44.8 8.5 60 61 A H S S+ 0 0 23 9,-0.9 2,-0.4 -2,-0.6 98,-0.2 0.820 71.8 23.3 -82.7 -30.3 -6.8 47.3 10.4 61 62 A R E -E 69 0A 97 8,-1.6 8,-2.9 96,-0.1 2,-0.4 -0.993 57.2-179.5-141.9 129.1 -5.5 50.4 8.6 62 63 A V E -E 68 0A 0 94,-2.2 91,-2.0 -2,-0.4 94,-0.3 -0.986 10.8-175.0-129.1 117.5 -3.8 50.9 5.3 63 64 A I E >> -E 67 0A 26 4,-2.8 3,-1.6 -2,-0.4 4,-1.3 -0.942 24.2-126.4-122.1 109.1 -2.9 54.5 4.4 64 65 A P T 34 S+ 0 0 42 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.222 94.1 12.8 -54.9 136.8 -1.4 55.3 1.0 65 66 A N T 34 S+ 0 0 133 1,-0.2 56,-0.0 57,-0.1 58,-0.0 0.682 130.0 54.6 70.0 22.1 1.9 57.1 1.1 66 67 A F T <4 S- 0 0 54 -3,-1.6 56,-2.7 54,-0.1 57,-0.6 0.303 102.3 -65.5-141.4 -77.6 2.3 56.4 4.8 67 68 A M E < -EF 63 121A 0 -4,-1.3 -4,-2.8 54,-0.3 2,-0.4 -0.993 29.0-102.5-172.5 166.9 2.1 52.7 6.0 68 69 A L E -EF 62 120A 0 52,-2.4 52,-2.4 -2,-0.3 2,-0.5 -0.898 33.5-158.6 -97.5 138.3 0.3 49.5 6.5 69 70 A Q E +EF 61 119A 16 -8,-2.9 -8,-1.6 -2,-0.4 -9,-0.9 -0.986 29.4 133.1-123.9 123.0 -0.8 48.8 10.1 70 71 A G E + F 0 118A 0 48,-2.3 48,-2.1 -2,-0.5 -11,-0.2 -0.703 18.5 98.9-145.9-167.8 -1.5 45.3 11.3 71 72 A G + 0 0 0 -13,-0.4 2,-1.7 46,-0.3 11,-0.3 0.399 44.3 129.1 96.7 -0.3 -0.9 42.7 14.0 72 73 A D > + 0 0 1 -14,-0.5 4,-1.5 1,-0.2 -14,-0.4 -0.652 23.2 162.1 -85.8 84.0 -4.2 43.0 16.0 73 74 A F T 4 + 0 0 31 -2,-1.7 -1,-0.2 1,-0.2 -22,-0.1 0.542 67.8 53.3 -85.2 -6.9 -4.9 39.4 16.0 74 75 A T T 4 S+ 0 0 23 -3,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.771 133.0 1.9 -93.3 -31.4 -7.4 39.5 18.9 75 76 A R T 4 S- 0 0 158 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.573 75.8-142.7-130.3 -19.9 -9.7 42.3 17.5 76 77 A G S < S+ 0 0 32 -4,-1.5 -3,-0.1 1,-0.1 -5,-0.0 0.685 80.7 89.0 58.8 22.2 -8.5 43.3 14.0 77 78 A N S S- 0 0 86 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.376 106.0 -97.0-128.3 2.1 -9.4 46.9 14.6 78 79 A G S S+ 0 0 18 -6,-0.1 39,-0.0 -17,-0.0 -8,-0.0 0.471 107.5 85.6 94.2 5.5 -6.3 48.4 16.2 79 80 A T S S+ 0 0 86 -7,-0.1 2,-0.1 0, 0.0 0, 0.0 0.470 84.2 54.5-111.4 -8.4 -7.3 48.1 19.8 80 81 A G + 0 0 11 -8,-0.0 36,-0.2 2,-0.0 37,-0.2 -0.172 55.3 104.2-107.7-154.9 -6.2 44.6 20.5 81 82 A G - 0 0 21 -9,-0.1 2,-0.3 35,-0.1 -9,-0.1 -0.078 36.2-157.1 95.0 156.5 -3.0 42.5 20.2 82 83 A E - 0 0 11 -11,-0.3 5,-0.2 33,-0.1 2,-0.2 -0.966 13.6-119.2-163.0 158.5 -0.6 41.3 22.8 83 84 A S B > -J 86 0C 2 3,-2.3 3,-1.3 -2,-0.3 -36,-0.3 -0.497 31.4-105.7 -98.3 173.0 3.0 40.2 22.9 84 85 A I T 3 S+ 0 0 23 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.651 121.7 57.0 -67.1 -14.8 4.7 36.9 23.9 85 86 A Y T 3 S- 0 0 87 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.437 125.3 -86.9 -95.1 -2.4 5.8 38.7 27.1 86 87 A G B < S-J 83 0C 6 -3,-1.3 -3,-2.3 1,-0.2 -1,-0.4 -0.851 76.2 -30.4 121.6-164.1 2.2 39.6 28.1 87 88 A E S S+ 0 0 69 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.2 0.874 125.6 7.2 -59.4 -41.7 -0.1 42.5 27.2 88 89 A K - 0 0 51 -3,-0.2 27,-0.2 -6,-0.1 25,-0.1 -0.910 60.7-165.2-138.1 161.9 2.9 45.0 26.9 89 90 A F B -K 114 0D 12 25,-1.1 25,-1.8 -2,-0.3 3,-0.1 -0.986 31.8 -89.3-146.9 157.8 6.7 45.1 26.8 90 91 A P - 0 0 86 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.170 41.1 -99.7 -67.8 157.2 9.3 47.8 27.1 91 92 A D - 0 0 27 1,-0.2 3,-0.1 -60,-0.0 41,-0.0 -0.661 34.8-160.0 -67.7 114.9 10.9 49.9 24.3 92 93 A E - 0 0 53 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.962 57.5 -47.3 -70.1 -55.0 14.2 48.0 23.8 93 94 A N - 0 0 48 -3,-0.1 -1,-0.3 41,-0.1 41,-0.2 -0.939 35.7-129.8-165.0 172.5 16.0 50.9 22.1 94 95 A F + 0 0 62 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.133 63.3 125.3-119.0 36.2 15.5 53.4 19.3 95 96 A Q + 0 0 126 -68,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.916 61.4 62.4 -64.8 -46.9 18.8 52.7 17.4 96 97 A E S S- 0 0 44 38,-0.4 38,-0.5 -3,-0.1 2,-0.2 -0.586 78.6-148.5 -85.6 144.6 17.2 52.0 14.0 97 98 A K - 0 0 90 -2,-0.2 2,-1.5 32,-0.1 3,-0.1 -0.647 25.3-101.1-116.2 166.0 15.3 54.8 12.3 98 99 A H + 0 0 1 -2,-0.2 27,-0.2 1,-0.2 31,-0.1 -0.655 54.4 157.6 -85.3 85.4 12.4 55.3 10.0 99 100 A T - 0 0 90 -2,-1.5 25,-0.2 1,-0.2 -1,-0.2 0.588 53.4 -57.3 -94.2 -15.0 14.4 55.8 6.9 100 101 A G S > S- 0 0 9 23,-0.3 3,-1.4 -3,-0.1 23,-0.3 -0.993 84.3 -11.1 165.8-168.2 12.0 54.9 4.1 101 102 A P T 3 S+ 0 0 86 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.308 115.9 33.5 -58.2 143.1 9.6 52.4 2.6 102 103 A G T 3 S+ 0 0 5 19,-3.1 36,-2.3 1,-0.3 2,-0.2 0.289 77.8 142.9 95.7 -7.8 9.9 48.8 4.0 103 104 A V E < -G 137 0A 9 -3,-1.4 18,-2.7 34,-0.2 2,-0.5 -0.475 40.7-147.5 -65.9 132.4 10.8 49.8 7.6 104 105 A L E +GH 136 120A 0 32,-2.2 31,-2.2 16,-0.2 32,-1.1 -0.938 27.7 166.5-104.6 123.4 9.2 47.5 10.2 105 106 A S E -GH 134 119A 0 14,-1.9 14,-3.1 -2,-0.5 2,-0.4 -0.954 35.4-107.2-139.4 151.5 8.3 49.3 13.4 106 107 A M E - H 0 118A 0 27,-2.3 12,-0.3 -2,-0.3 27,-0.2 -0.669 24.7-139.6 -84.0 132.6 6.2 48.6 16.5 107 108 A A + 0 0 9 10,-1.8 8,-0.5 -2,-0.4 2,-0.3 -0.411 34.1 165.9 -73.2 159.0 2.9 50.4 17.0 108 109 A N - 0 0 44 6,-0.1 6,-0.1 -2,-0.1 24,-0.0 -0.964 47.6-122.6-161.3 178.2 2.2 51.5 20.6 109 110 A A S S- 0 0 91 1,-0.5 5,-0.0 -2,-0.3 -2,-0.0 -0.446 84.4 -54.8-127.1 55.9 0.1 53.6 23.0 110 111 A G S > S- 0 0 27 21,-0.1 3,-0.8 3,-0.0 -1,-0.5 -0.445 100.7 -6.5 100.1-174.5 3.0 55.5 24.5 111 112 A P T 3 S- 0 0 106 0, 0.0 21,-0.1 0, 0.0 20,-0.0 -0.206 126.6 -0.0 -58.0 136.4 6.3 54.6 26.1 112 113 A N T 3 S+ 0 0 87 1,-0.1 -4,-0.0 -24,-0.0 -24,-0.0 0.852 92.8 117.4 55.7 46.3 6.8 50.8 26.9 113 114 A T < + 0 0 48 -3,-0.8 -4,-0.1 -25,-0.1 -1,-0.1 -0.051 31.2 150.5-130.5 33.9 3.5 49.6 25.5 114 115 A N B +K 89 0D 0 -25,-1.8 -25,-1.1 -6,-0.1 -31,-0.2 -0.408 8.7 150.4 -66.2 140.1 4.7 47.3 22.6 115 116 A G - 0 0 11 -8,-0.5 -31,-0.2 2,-0.3 -1,-0.1 0.094 65.5 -57.2-131.1-112.0 2.3 44.4 21.9 116 117 A S S S+ 0 0 1 -36,-0.2 2,-0.1 -33,-0.1 -35,-0.1 0.519 94.6 108.0-117.0 -16.2 1.8 42.7 18.6 117 118 A Q + 0 0 28 -37,-0.2 -10,-1.8 -10,-0.1 -2,-0.3 -0.424 46.2 175.2 -71.7 141.4 0.7 45.6 16.4 118 119 A F E -FH 70 106A 1 -48,-2.1 -48,-2.3 -12,-0.3 2,-0.4 -0.908 24.5-130.5-142.8 165.8 3.2 46.7 13.8 119 120 A F E -FH 69 105A 17 -14,-3.1 -14,-1.9 -2,-0.3 2,-0.5 -0.933 2.6-161.5-118.5 137.9 3.8 49.1 10.9 120 121 A I E -FH 68 104A 0 -52,-2.4 -52,-2.4 -2,-0.4 -16,-0.2 -0.974 30.2-140.4-112.7 109.8 5.2 48.5 7.4 121 122 A C E -F 67 0A 0 -18,-2.7 -19,-3.1 -2,-0.5 -54,-0.3 -0.394 24.7-174.8 -71.7 144.4 6.2 51.9 6.2 122 123 A T S S+ 0 0 18 -56,-2.7 2,-0.3 -21,-0.3 -55,-0.2 0.188 75.7 25.0-118.5 16.3 5.6 53.0 2.6 123 124 A A S S- 0 0 27 -57,-0.6 2,-0.6 -23,-0.3 -23,-0.3 -0.935 100.4 -75.2-160.6 171.6 7.4 56.3 3.0 124 125 A K - 0 0 139 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.2 -0.720 44.1-177.7 -79.6 119.1 10.1 58.0 5.2 125 126 A T > + 0 0 0 -2,-0.6 3,-2.0 -27,-0.2 4,-0.3 -0.529 14.0 161.4-120.4 64.2 8.4 58.6 8.5 126 127 A E G > + 0 0 44 -2,-0.4 3,-1.6 1,-0.3 -1,-0.2 0.731 65.1 71.8 -63.9 -26.0 11.1 60.4 10.5 127 128 A W G 3 S+ 0 0 161 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.629 91.4 60.4 -65.4 -13.7 8.7 61.9 13.1 128 129 A L G X> S+ 0 0 17 -3,-2.0 4,-2.1 -30,-0.1 3,-2.1 0.571 77.2 117.8 -86.7 -12.6 8.2 58.4 14.6 129 130 A D T <4 S+ 0 0 57 -3,-1.6 4,-0.1 -4,-0.3 -32,-0.1 -0.312 81.1 15.8 -57.1 135.5 12.0 58.1 15.4 130 131 A G T 34 S+ 0 0 39 2,-0.4 -1,-0.3 -36,-0.1 3,-0.1 0.389 123.8 63.3 79.7 -2.9 12.5 57.7 19.2 131 132 A K T <4 S+ 0 0 139 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.655 100.5 44.5-116.6 -35.1 8.8 56.9 19.7 132 133 A H S < S- 0 0 22 -4,-2.1 2,-0.5 -38,-0.1 -2,-0.4 -0.961 82.1-124.2-118.8 131.4 8.5 53.6 17.8 133 134 A V - 0 0 0 -2,-0.4 -27,-2.3 -27,-0.2 2,-0.5 -0.620 19.3-149.0 -77.4 119.0 10.9 50.7 17.9 134 135 A V E + G 0 105A 3 -38,-0.5 -38,-0.4 -2,-0.5 -29,-0.3 -0.760 25.9 164.7 -87.0 128.6 12.2 49.8 14.5 135 136 A F E - 0 0 0 -31,-2.2 -111,-3.0 -2,-0.5 2,-0.3 0.343 53.3 -18.2-132.1 4.0 13.0 46.0 14.4 136 137 A G E -CG 23 104A 1 -32,-1.1 -32,-2.2 -113,-0.3 2,-0.3 -0.983 54.0-118.0 178.7-169.4 13.4 45.0 10.8 137 138 A R E -CG 22 103A 94 -115,-2.2 -115,-3.0 -2,-0.3 2,-0.3 -0.991 29.3-100.9-155.1 152.5 12.8 45.6 7.1 138 139 A V E +C 21 0A 14 -36,-2.3 -117,-0.3 -2,-0.3 3,-0.1 -0.569 34.2 173.1 -70.5 129.8 11.0 44.2 4.1 139 140 A V E + 0 0 58 -119,-3.1 2,-0.3 1,-0.4 -118,-0.2 0.537 67.8 23.7-114.6 -18.2 13.6 42.4 1.9 140 141 A E E S+C 20 0A 107 -120,-1.7 -120,-2.5 1,-0.1 -1,-0.4 -0.982 108.3 35.0-144.3 145.5 11.1 40.9 -0.6 141 142 A G > + 0 0 14 -2,-0.3 4,-2.1 -122,-0.2 3,-0.5 0.714 50.2 143.3 90.4 25.4 7.7 41.8 -1.8 142 143 A M H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.834 78.6 60.6 -60.8 -26.7 7.5 45.6 -1.7 143 144 A N H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 103.1 49.9 -66.1 -31.2 5.4 45.1 -4.8 144 145 A V H > S+ 0 0 7 -3,-0.5 4,-2.4 -126,-0.2 -2,-0.2 0.925 108.7 51.9 -68.6 -44.1 2.9 43.2 -2.6 145 146 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.922 109.3 50.9 -55.5 -44.0 3.0 46.0 -0.1 146 147 A K H X S+ 0 0 43 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.888 107.6 52.3 -63.4 -39.9 2.2 48.4 -2.9 147 148 A A H < S+ 0 0 42 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.900 112.6 44.9 -63.3 -40.9 -0.7 46.3 -4.0 148 149 A V H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 4,-0.3 0.930 108.2 57.7 -65.2 -45.4 -2.1 46.3 -0.5 149 150 A E H >< S+ 0 0 32 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.859 98.4 61.1 -54.3 -37.2 -1.5 50.0 -0.2 150 151 A S T 3< S+ 0 0 99 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.650 98.5 56.7 -68.9 -16.1 -3.7 50.6 -3.2 151 152 A K T < S+ 0 0 82 -3,-2.0 8,-2.3 -4,-0.4 9,-0.3 0.433 97.8 87.6 -91.0 -1.3 -6.7 49.1 -1.4 152 153 A G < - 0 0 18 -3,-1.9 2,-0.3 -4,-0.3 -89,-0.2 -0.056 58.5-158.3 -86.5-170.2 -6.2 51.7 1.5 153 154 A S > - 0 0 38 -91,-2.0 3,-0.9 5,-0.0 -91,-0.1 -0.948 39.7 -89.7-159.3 172.5 -7.6 55.2 2.0 154 155 A Q T 3 S+ 0 0 196 -2,-0.3 -91,-0.0 1,-0.3 -1,-0.0 0.841 127.9 49.1 -63.6 -34.6 -6.7 58.3 4.0 155 156 A S T 3 S- 0 0 87 2,-0.1 -1,-0.3 -93,-0.1 -92,-0.1 0.673 117.8-115.2 -76.0 -17.4 -8.8 57.1 7.0 156 157 A G < + 0 0 0 -3,-0.9 -94,-2.2 1,-0.4 -87,-0.1 0.171 68.6 142.3 101.2 -14.4 -7.1 53.7 6.7 157 158 A R - 0 0 194 -96,-0.2 -1,-0.4 -5,-0.1 2,-0.3 -0.354 44.2-137.7 -60.9 136.4 -10.3 51.9 5.7 158 159 A T - 0 0 27 -98,-0.2 -6,-0.2 -99,-0.1 3,-0.1 -0.708 9.2-144.7 -99.3 147.3 -9.6 49.1 3.2 159 160 A S S S+ 0 0 98 -8,-2.3 2,-0.3 -2,-0.3 -7,-0.1 0.543 92.1 23.1 -86.3 -9.4 -11.8 48.5 0.1 160 161 A A S S- 0 0 25 -9,-0.3 2,-0.2 -147,-0.0 -1,-0.2 -0.965 100.1 -91.4-149.0 149.0 -11.1 44.7 0.5 161 162 A D - 0 0 117 -2,-0.3 -149,-2.3 -3,-0.1 2,-0.6 -0.445 34.0-153.3 -66.7 131.7 -10.0 42.7 3.5 162 163 A I E +B 11 0A 0 -103,-0.4 -103,-2.4 -151,-0.2 2,-0.4 -0.934 22.9 179.1-110.7 112.2 -6.3 42.4 3.7 163 164 A V E -BD 10 58A 33 -153,-2.2 -153,-2.5 -2,-0.6 2,-1.2 -0.916 38.8-130.2-124.4 140.6 -5.4 39.2 5.6 164 165 A I E +B 9 0A 0 -107,-2.9 -108,-3.4 -2,-0.4 -107,-0.3 -0.777 33.1 179.7 -81.0 94.6 -2.2 37.4 6.6 165 166 A S E + 0 0 46 -157,-1.8 2,-0.3 -2,-1.2 -1,-0.2 0.787 65.1 1.3 -77.5 -26.5 -3.3 34.1 5.2 166 167 A D E +B 8 0A 60 -158,-1.4 -158,-3.0 -3,-0.1 2,-0.3 -0.977 67.9 170.3-152.3 158.3 -0.1 32.4 6.2 167 168 A C E +B 7 0A 9 -2,-0.3 2,-0.3 -160,-0.2 -160,-0.2 -0.974 12.3 124.0-161.3 166.7 3.1 33.3 8.0 168 169 A G E -B 6 0A 7 -162,-1.5 -162,-2.3 -2,-0.3 2,-0.4 -0.986 52.4 -59.9 166.0-167.7 6.2 31.8 9.4 169 170 A Q E B 5 0A 86 -2,-0.3 -164,-0.3 -164,-0.2 -2,-0.0 -0.858 360.0 360.0-109.4 145.7 10.0 31.7 9.5 170 171 A L 0 0 122 -166,-2.6 -166,-0.5 -2,-0.4 -2,-0.0 -0.591 360.0 360.0-102.7 360.0 12.3 30.9 6.6