==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-JUN-09 2WLW . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MACACA MULATTA; . AUTHOR A.J.PRICE,F.MARZETTA,M.LAMMERS,L.M.J.YLINEN,T.SCHALLER, . 163 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.9 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 . 53 32.5 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 10 6.1 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 . 19 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 3 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 V 0 0 168 0, 0.0 24,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 124.7 31.4 44.9 0.8 2 3 A N - 0 0 32 22,-0.1 22,-0.1 23,-0.1 162,-0.1 -0.671 360.0-123.7 -81.3 125.2 29.8 41.8 2.2 3 4 A P - 0 0 14 0, 0.0 20,-2.4 0, 0.0 2,-0.4 -0.245 16.0-144.0 -66.9 151.7 31.8 38.8 1.0 4 5 A T E -A 22 0A 14 160,-2.5 159,-2.9 18,-0.2 160,-1.0 -0.992 19.1-177.3-114.6 129.9 30.3 35.9 -1.0 5 6 A V E -AB 21 162A 0 16,-2.1 16,-2.4 -2,-0.4 2,-0.3 -0.834 8.2-151.5-124.8 161.0 31.5 32.4 -0.6 6 7 A F E -AB 20 161A 20 155,-2.5 155,-1.8 -2,-0.3 2,-0.4 -0.961 8.0-161.5-131.8 148.9 30.6 29.1 -2.2 7 8 A F E -AB 19 160A 0 12,-2.5 12,-2.7 -2,-0.3 2,-0.6 -0.999 12.0-150.4-118.7 134.6 30.5 25.4 -1.5 8 9 A D E -AB 18 159A 42 151,-3.0 150,-2.1 -2,-0.4 151,-1.3 -0.913 26.4-154.9 -98.8 119.7 30.4 22.7 -4.2 9 10 A I E -AB 17 157A 3 8,-2.8 7,-3.0 -2,-0.6 8,-1.3 -0.762 14.3-175.4-102.4 143.0 28.4 19.8 -2.5 10 11 A A E -AB 15 156A 4 146,-2.4 146,-2.7 -2,-0.4 2,-0.5 -0.938 21.0-141.8-137.0 156.5 28.7 16.2 -3.4 11 12 A V E > S-AB 14 155A 15 3,-2.2 3,-2.5 -2,-0.3 144,-0.2 -0.971 91.1 -24.9-122.1 109.1 26.9 13.0 -2.2 12 13 A D T 3 S- 0 0 95 142,-2.6 -1,-0.2 -2,-0.5 143,-0.1 0.914 130.2 -50.3 45.1 44.5 29.4 10.0 -2.0 13 14 A G T 3 S+ 0 0 59 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.252 110.4 126.3 84.6 -14.0 31.4 12.0 -4.6 14 15 A E E < -A 11 0A 139 -3,-2.5 -3,-2.2 1,-0.1 -1,-0.2 -0.695 68.0-113.0 -76.4 120.6 28.5 12.6 -7.0 15 16 A P E +A 10 0A 101 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.252 39.0 172.3 -60.4 131.1 28.2 16.4 -7.7 16 17 A L E - 0 0 56 -7,-3.0 2,-0.3 1,-0.3 -6,-0.2 0.850 46.1 -89.3 -98.8 -59.6 25.0 17.9 -6.4 17 18 A G E -A 9 0A 23 -8,-1.3 -8,-2.8 120,-0.0 2,-0.4 -0.938 40.2 -64.6 167.0-174.1 25.5 21.5 -6.9 18 19 A R E -A 8 0A 108 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.773 28.2-166.3-103.9 136.3 26.7 24.9 -5.5 19 20 A V E -A 7 0A 0 -12,-2.7 -12,-2.5 -2,-0.4 2,-0.3 -0.986 11.5-166.7-115.2 128.0 25.5 26.8 -2.5 20 21 A S E -AC 6 133A 5 113,-2.5 112,-2.9 -2,-0.5 113,-0.8 -0.818 2.4-159.6-115.9 151.8 26.6 30.4 -2.2 21 22 A F E -AC 5 131A 0 -16,-2.4 -16,-2.1 -2,-0.3 2,-0.5 -0.992 17.1-139.0-129.1 143.7 26.3 32.6 0.8 22 23 A E E -AC 4 130A 58 108,-2.8 108,-2.1 -2,-0.4 2,-0.5 -0.842 24.1-149.5 -90.4 131.3 26.3 36.3 1.6 23 24 A L E - C 0 129A 0 -20,-2.4 2,-2.3 -2,-0.5 106,-0.3 -0.934 12.4-133.5-104.2 121.2 28.3 36.9 4.8 24 25 A F >> + 0 0 37 104,-2.5 4,-2.7 -2,-0.5 3,-1.4 -0.405 42.5 157.1 -77.1 65.1 27.1 39.9 6.8 25 26 A A T 34 + 0 0 29 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.739 68.6 65.9 -60.4 -28.3 30.4 41.5 7.4 26 27 A D T 34 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.800 117.1 22.5 -65.9 -22.1 28.6 44.8 7.9 27 28 A K T <4 S+ 0 0 103 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.722 139.8 23.2-113.2 -32.6 26.9 43.5 11.1 28 29 A V X + 0 0 0 -4,-2.7 4,-2.7 100,-0.1 5,-0.3 -0.592 68.7 164.8-136.8 65.8 29.2 40.7 12.3 29 30 A P H > S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.899 73.6 46.8 -61.7 -39.0 32.6 41.3 10.8 30 31 A K H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.919 117.1 44.3 -74.2 -35.7 34.8 38.9 13.0 31 32 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.913 113.8 50.2 -73.8 -42.3 32.3 36.0 12.5 32 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.938 110.6 50.8 -56.1 -47.5 31.9 36.7 8.8 33 34 A E H X S+ 0 0 67 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.897 105.9 55.0 -65.3 -38.2 35.7 36.8 8.4 34 35 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.948 112.0 42.7 -57.0 -51.7 36.1 33.5 10.2 35 36 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.883 113.5 52.5 -60.4 -42.3 33.8 31.7 7.8 36 37 A R H X S+ 0 0 27 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.955 111.6 44.4 -58.4 -50.4 35.3 33.5 4.8 37 38 A A H X>S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 5,-0.8 0.838 112.4 52.2 -67.4 -36.7 38.9 32.5 5.6 38 39 A L H <5S+ 0 0 1 -4,-2.2 9,-1.8 -5,-0.2 10,-0.5 0.868 108.6 52.2 -69.7 -26.8 37.8 28.9 6.4 39 40 A S H <5S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.830 114.6 41.2 -78.4 -26.4 36.1 28.7 3.0 40 41 A T H <5S- 0 0 47 -4,-1.6 -1,-0.2 121,-0.2 -2,-0.2 0.658 100.2-135.9 -84.8 -23.7 39.2 29.8 1.2 41 42 A G T ><5 + 0 0 31 -4,-1.3 3,-2.0 4,-0.2 -3,-0.2 0.591 54.9 143.1 80.5 7.7 41.5 27.8 3.2 42 43 A E T 3 < + 0 0 105 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.596 64.2 56.2 -62.7 -20.0 44.0 30.6 3.5 43 44 A K T 3 S- 0 0 126 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.346 124.1 -97.6 -89.0 -2.3 45.0 29.9 7.1 44 45 A G S < S+ 0 0 71 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.570 100.8 55.4 93.8 13.3 46.0 26.3 6.1 45 46 A F + 0 0 54 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.959 60.3 106.6-159.6 166.7 42.8 24.7 7.3 46 47 A G S S- 0 0 11 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -1.000 70.3 -32.5 154.2-157.8 39.1 25.0 6.6 47 48 A Y S > S+ 0 0 0 -9,-1.8 3,-2.8 -2,-0.3 110,-0.3 0.690 79.9 115.2 -81.2 -13.8 36.0 23.6 5.0 48 49 A K T 3 S+ 0 0 143 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.318 92.6 10.2 -65.4 125.8 37.3 21.9 1.9 49 50 A G T 3 S+ 0 0 59 108,-3.5 -1,-0.3 1,-0.3 109,-0.1 0.238 100.3 127.4 86.3 -5.7 36.7 18.1 2.3 50 51 A S < - 0 0 8 -3,-2.8 107,-2.8 107,-0.2 -1,-0.3 -0.190 47.6-141.7 -70.4 163.6 34.5 18.6 5.4 51 52 A C B -D 156 0A 41 14,-0.3 2,-0.9 105,-0.2 13,-0.9 -0.803 21.0-109.3-122.1 172.8 31.1 17.1 5.5 52 53 A F E +E 63 0A 0 103,-2.5 103,-0.5 -2,-0.3 11,-0.3 -0.901 40.9 177.0 -92.6 101.0 27.6 17.9 6.8 53 54 A H E + 0 0 45 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.579 63.7 42.7 -90.6 -12.5 27.6 15.5 9.6 54 55 A R E +E 62 0A 101 8,-1.8 8,-3.4 96,-0.1 2,-0.5 -0.934 61.7 168.8-138.9 113.6 24.3 16.3 11.0 55 56 A I E -E 61 0A 0 94,-2.3 91,-2.3 -2,-0.4 94,-0.4 -0.979 7.4-177.3-127.7 113.2 21.3 17.0 8.8 56 57 A I E >> -E 60 0A 34 4,-2.9 3,-2.2 -2,-0.5 4,-1.3 -0.944 30.6-125.3-113.1 109.1 17.8 17.2 10.4 57 58 A P T 34 S+ 0 0 55 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.290 94.6 15.4 -58.7 138.1 15.1 17.6 7.7 58 59 A G T 34 S+ 0 0 50 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.426 129.5 53.5 82.5 -3.3 13.0 20.7 8.4 59 60 A F T <4 S- 0 0 50 -3,-2.2 56,-2.7 1,-0.2 57,-0.7 0.538 105.7 -46.0-127.0 -72.8 15.5 22.1 10.9 60 61 A M E < -EF 56 114A 9 -4,-1.3 -4,-2.9 54,-0.3 2,-0.5 -1.000 27.6-125.9-163.6 164.8 19.1 22.5 9.8 61 62 A C E -EF 55 113A 0 52,-2.2 52,-2.5 -2,-0.3 2,-0.4 -0.976 32.9-165.7-119.0 121.6 22.2 21.1 8.0 62 63 A Q E +EF 54 112A 20 -8,-3.4 -8,-1.8 -2,-0.5 -9,-0.6 -0.874 20.5 139.8-114.3 137.2 25.3 21.3 10.2 63 64 A G E +EF 52 111A 0 48,-2.1 48,-1.9 -2,-0.4 -11,-0.2 -0.745 17.1 108.6-150.4-168.7 28.9 20.9 9.1 64 65 A G + 0 0 0 -13,-0.9 11,-0.2 1,-0.3 2,-0.1 0.442 38.3 142.5 107.5 5.7 32.4 22.2 9.6 65 66 A N + 0 0 51 -14,-0.4 -1,-0.3 9,-0.1 2,-0.3 -0.432 17.6 155.8 -69.0 143.3 34.4 19.6 11.4 66 67 A F - 0 0 28 -2,-0.1 8,-2.1 6,-0.1 2,-0.2 -0.960 44.8 -91.1-158.2 163.5 38.1 19.1 10.5 67 68 A T + 0 0 116 -2,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.503 48.9 163.3 -74.3 139.0 41.3 17.8 12.0 68 69 A H B > -I 71 0B 31 3,-2.7 3,-0.7 -2,-0.2 5,-0.0 -0.882 54.1 -79.7-146.3 178.7 43.6 20.3 13.9 69 70 A H T 3 S+ 0 0 172 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.763 126.8 27.4 -52.2 -39.6 46.4 20.2 16.4 70 71 A N T 3 S- 0 0 111 1,-0.1 2,-0.3 10,-0.0 -1,-0.3 0.518 125.6 -23.7-106.3 -5.5 44.2 19.7 19.3 71 72 A G B < -I 68 0B 25 -3,-0.7 -3,-2.7 -5,-0.1 3,-0.1 -0.915 55.1 -97.1-176.9-162.5 41.1 17.9 18.0 72 73 A T S S+ 0 0 106 -2,-0.3 -6,-0.1 -5,-0.2 3,-0.1 0.274 90.3 83.1-131.2 4.0 38.7 16.9 15.3 73 74 A G S S- 0 0 26 1,-0.3 36,-0.4 -8,-0.2 37,-0.4 0.125 96.4-109.5 -94.6 10.5 35.7 19.3 15.6 74 75 A G - 0 0 2 -8,-2.1 -1,-0.3 35,-0.1 2,-0.3 -0.028 31.5-132.1 79.0 172.0 37.4 22.2 13.6 75 76 A K - 0 0 34 -11,-0.2 5,-0.2 33,-0.2 33,-0.2 -0.968 15.9-101.1-153.4 170.1 38.6 25.5 15.0 76 77 A S B > -J 79 0C 1 3,-1.1 3,-0.6 4,-0.5 33,-0.1 -0.330 32.6-110.9 -87.6 176.5 38.4 29.2 14.2 77 78 A I T 3 S+ 0 0 32 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.408 116.2 60.9 -79.7 -6.4 41.0 31.4 12.6 78 79 A Y T 3 S- 0 0 82 1,-0.5 3,-0.3 30,-0.1 2,-0.3 -0.025 124.4 -78.8-110.9 29.7 41.4 33.1 16.0 79 80 A G B < S-J 76 0C 35 -3,-0.6 -3,-1.1 1,-0.2 -1,-0.5 -0.703 82.4 -31.6 94.6-168.4 42.6 30.0 17.9 80 81 A E S S- 0 0 75 -2,-0.3 -4,-0.5 -5,-0.2 2,-0.3 0.884 123.7 -1.6 -59.6 -45.2 40.6 27.2 19.2 81 82 A K - 0 0 110 -3,-0.3 2,-0.3 -6,-0.1 27,-0.2 -0.950 62.1-157.9-140.3 161.8 37.4 29.2 20.0 82 83 A F B -K 107 0D 6 25,-1.8 25,-2.1 -2,-0.3 3,-0.1 -0.954 28.3 -87.1-141.6 165.5 36.1 32.8 19.9 83 84 A E - 0 0 110 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.114 44.0 -98.3 -66.7 150.9 33.4 35.0 21.5 84 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.708 37.5-155.5 -62.8 109.1 29.9 35.4 20.4 85 86 A E - 0 0 60 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.941 57.4 -47.1 -68.0 -49.2 30.3 38.7 18.5 86 87 A N - 0 0 45 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.957 37.2-128.6-168.1 169.9 26.7 39.9 18.9 87 88 A F + 0 0 85 -2,-0.3 36,-0.1 -3,-0.1 38,-0.1 -0.074 62.8 124.9-122.4 44.6 23.1 38.6 18.5 88 89 A I 0 0 123 -61,-0.2 -1,-0.1 39,-0.1 -60,-0.0 0.909 360.0 360.0 -65.4 -46.4 21.7 41.3 16.2 89 90 A L 0 0 60 38,-0.4 38,-0.6 -3,-0.1 34,-0.3 -0.598 360.0 360.0 -89.8 360.0 20.6 38.9 13.5 90 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 92 A H 0 0 5 0, 0.0 27,-1.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 77.7 17.1 32.8 12.8 92 93 A T - 0 0 101 25,-0.2 25,-0.3 1,-0.2 27,-0.1 0.614 360.0 -46.7 -82.9 -20.0 14.2 34.1 10.7 93 94 A G S > S- 0 0 8 23,-0.4 3,-1.5 25,-0.1 23,-0.3 -0.993 86.0 -18.4 171.2-176.4 13.7 31.4 8.1 94 95 A P T 3 S+ 0 0 73 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.239 115.2 30.8 -54.1 137.2 15.3 29.0 5.6 95 96 A G T 3 S+ 0 0 2 19,-3.3 36,-2.4 1,-0.3 20,-0.1 0.181 77.9 142.6 99.8 -14.5 18.8 29.8 4.4 96 97 A I E < -G 130 0A 9 -3,-1.5 18,-3.0 34,-0.2 2,-0.5 -0.378 40.0-148.0 -59.0 132.8 20.0 31.5 7.6 97 98 A L E +GH 129 113A 0 32,-2.6 31,-2.4 16,-0.2 32,-1.3 -0.914 27.3 163.9-107.4 129.1 23.7 30.7 8.3 98 99 A S E -GH 127 112A 0 14,-2.5 14,-2.6 -2,-0.5 2,-0.4 -0.907 36.8 -97.2-148.3 157.6 24.6 30.5 12.0 99 100 A M E - H 0 111A 0 27,-1.8 12,-0.3 -2,-0.3 27,-0.2 -0.688 25.8-142.6 -85.0 128.4 27.4 29.3 14.3 100 101 A A + 0 0 9 10,-1.6 8,-0.5 -2,-0.4 2,-0.3 -0.533 33.6 165.0 -71.4 156.8 27.2 26.0 16.2 101 102 A N - 0 0 42 -2,-0.2 6,-0.1 6,-0.1 10,-0.0 -0.978 47.1-126.1-159.5-178.9 28.6 26.1 19.7 102 103 A A S S- 0 0 95 1,-0.4 5,-0.0 -2,-0.3 -2,-0.0 -0.198 83.7 -45.6-124.6 36.4 28.8 24.3 23.0 103 104 A G S > S- 0 0 22 21,-0.2 3,-0.8 3,-0.0 -1,-0.4 -0.626 99.0 -15.3 126.2 176.6 27.7 27.2 25.1 104 105 A P T 3 S+ 0 0 110 0, 0.0 21,-0.1 0, 0.0 20,-0.0 -0.192 126.1 0.2 -53.9 135.6 28.4 30.9 25.4 105 106 A N T 3 S+ 0 0 87 1,-0.1 -22,-0.1 -4,-0.0 -4,-0.0 0.892 93.5 118.7 57.8 48.0 31.6 32.2 23.7 106 107 A T < + 0 0 38 -3,-0.8 -4,-0.2 -25,-0.1 -23,-0.2 -0.082 31.6 149.7-132.7 34.9 32.6 28.8 22.2 107 108 A N B +K 82 0D 0 -25,-2.1 -25,-1.8 -6,-0.1 -31,-0.3 -0.437 6.8 151.1 -75.6 141.5 32.5 29.4 18.4 108 109 A G - 0 0 6 -8,-0.5 -31,-0.2 2,-0.3 -33,-0.2 0.183 66.6 -58.0-126.2-109.8 34.9 27.5 16.3 109 110 A S S S+ 0 0 0 -36,-0.4 -35,-0.1 -33,-0.1 -46,-0.1 0.571 94.4 109.9-114.8 -21.6 34.3 26.4 12.7 110 111 A Q + 0 0 48 -37,-0.4 -10,-1.6 -11,-0.1 -2,-0.3 -0.290 42.2 164.3 -65.4 144.5 31.1 24.4 13.0 111 112 A F E -FH 63 99A 0 -48,-1.9 -48,-2.1 -12,-0.3 2,-0.3 -0.917 23.5-141.6-148.6 167.6 28.1 26.1 11.5 112 113 A F E -FH 62 98A 4 -14,-2.6 -14,-2.5 -2,-0.3 2,-0.5 -0.987 8.0-142.7-143.2 151.1 24.6 25.3 10.3 113 114 A I E -FH 61 97A 0 -52,-2.5 -52,-2.2 -2,-0.3 -16,-0.2 -0.952 28.5-136.7-104.6 119.5 22.3 26.2 7.5 114 115 A C E -F 60 0A 0 -18,-3.0 -19,-3.3 -2,-0.5 -54,-0.3 -0.566 18.7-170.0 -80.9 146.0 18.7 26.5 8.7 115 116 A T S S+ 0 0 18 -56,-2.7 2,-0.3 -21,-0.3 -55,-0.2 0.276 75.9 21.2-111.2 10.5 15.9 25.1 6.6 116 117 A A S S- 0 0 30 -57,-0.7 -23,-0.4 -23,-0.3 2,-0.3 -0.954 99.6 -72.5-158.9 168.1 13.2 26.8 8.8 117 118 A K - 0 0 115 -25,-0.3 -25,-0.2 -2,-0.3 2,-0.1 -0.569 45.4-177.9 -66.2 126.1 12.7 29.6 11.2 118 119 A T > + 0 0 0 -27,-1.1 3,-2.2 -2,-0.3 4,-0.3 -0.542 13.3 163.1-131.6 58.7 14.4 28.5 14.4 119 120 A E G > + 0 0 88 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.704 65.9 73.8 -59.8 -22.9 13.7 31.3 16.9 120 121 A W G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -29,-0.1 -2,-0.0 0.672 94.7 56.9 -65.3 -10.2 14.6 29.2 20.0 121 122 A L G X> S+ 0 0 20 -3,-2.2 3,-2.1 -30,-0.1 4,-1.9 0.578 79.4 116.9 -92.6 -11.9 18.2 29.6 18.8 122 123 A D T <4 S+ 0 0 78 -3,-1.6 4,-0.1 1,-0.3 -35,-0.1 -0.319 82.6 14.9 -58.9 132.9 18.0 33.4 18.9 123 124 A G T 34 S+ 0 0 44 2,-0.5 -1,-0.3 -34,-0.3 3,-0.1 0.410 123.1 63.9 82.8 -1.6 20.4 34.9 21.4 124 125 A K T <4 S+ 0 0 142 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.629 99.9 44.7-119.5 -30.3 22.3 31.7 21.7 125 126 A H S < S- 0 0 32 -4,-1.9 2,-0.7 -38,-0.1 -2,-0.5 -0.974 83.5-122.6-121.9 134.1 23.8 31.2 18.2 126 127 A V - 0 0 0 -2,-0.4 -27,-1.8 -27,-0.2 2,-0.4 -0.663 20.5-150.7 -81.2 114.6 25.4 34.0 16.2 127 128 A V E + G 0 98A 2 -2,-0.7 -38,-0.4 -38,-0.6 -29,-0.3 -0.690 28.6 157.9 -77.8 131.5 23.7 34.5 12.8 128 129 A F E - 0 0 0 -31,-2.4 -104,-2.5 -2,-0.4 2,-0.3 0.381 52.8 -0.1-141.9 6.9 26.2 35.8 10.3 129 130 A G E -CG 23 97A 0 -32,-1.3 -32,-2.6 -106,-0.3 2,-0.3 -0.974 53.0-133.1-174.6-175.5 25.0 35.1 6.7 130 131 A K E -CG 22 96A 78 -108,-2.1 -108,-2.8 -2,-0.3 -34,-0.2 -0.982 35.9 -89.1-156.6 151.1 22.4 33.6 4.5 131 132 A V E -C 21 0A 21 -36,-2.4 -110,-0.3 -2,-0.3 3,-0.1 -0.365 35.7-178.0 -56.4 124.9 22.2 31.4 1.4 132 133 A K E + 0 0 124 -112,-2.9 2,-0.3 1,-0.4 -111,-0.2 0.806 68.6 0.4 -90.8 -56.6 22.4 33.5 -1.7 133 134 A E E S+C 20 0A 146 -113,-0.8 -113,-2.5 1,-0.1 -1,-0.4 -0.972 112.2 49.1-131.9 152.5 21.9 30.9 -4.4 134 135 A G >> + 0 0 12 -2,-0.3 4,-1.7 -115,-0.2 3,-0.9 0.696 47.6 141.8 97.5 17.3 21.4 27.1 -4.2 135 136 A M H 3> S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 76.1 62.2 -58.5 -25.5 18.6 26.7 -1.6 136 137 A N H 3> S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.817 101.7 51.4 -67.6 -27.5 17.4 23.9 -3.9 137 138 A I H <> S+ 0 0 16 -3,-0.9 4,-2.4 -119,-0.2 -1,-0.2 0.902 108.3 50.1 -69.8 -44.9 20.8 22.1 -3.2 138 139 A V H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.941 108.9 53.2 -60.2 -39.9 20.2 22.6 0.6 139 140 A E H X S+ 0 0 98 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.881 109.1 49.6 -61.5 -42.3 16.7 21.0 0.1 140 141 A A H >< S+ 0 0 7 -4,-1.5 3,-1.0 1,-0.2 4,-0.4 0.908 105.0 56.9 -65.6 -34.5 18.3 18.1 -1.7 141 142 A M H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.870 97.5 64.2 -60.0 -36.8 20.8 17.6 1.1 142 143 A E H >< S+ 0 0 32 -4,-1.6 3,-1.8 1,-0.3 -1,-0.3 0.781 88.2 68.0 -54.6 -36.5 17.9 17.3 3.5 143 144 A R T << S+ 0 0 182 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.685 98.8 53.3 -63.8 -14.4 16.8 14.1 1.8 144 145 A F T < S+ 0 0 46 -3,-1.8 8,-2.4 -4,-0.4 9,-0.4 0.408 97.5 83.9-103.3 7.8 19.9 12.5 3.2 145 146 A G < - 0 0 15 -3,-1.8 2,-0.3 6,-0.2 -89,-0.2 -0.128 60.1-154.0 -92.7-165.0 19.3 13.5 6.7 146 147 A S - 0 0 23 -91,-2.3 3,-0.4 1,-0.1 -91,-0.1 -0.966 38.7 -99.3-163.3 168.8 17.2 11.9 9.5 147 148 A R S S+ 0 0 219 -2,-0.3 -1,-0.1 1,-0.2 -91,-0.0 0.845 128.1 52.6 -62.8 -39.9 15.4 12.7 12.7 148 149 A N S S- 0 0 115 2,-0.1 -1,-0.2 -3,-0.1 -92,-0.1 0.683 111.8-125.2 -49.1 -40.5 18.6 11.4 14.4 149 150 A G + 0 0 1 1,-0.4 -94,-2.3 -94,-0.4 -2,-0.1 0.021 68.5 129.1 92.5 -23.4 20.7 13.7 12.3 150 151 A K - 0 0 147 -96,-0.2 -1,-0.4 -5,-0.1 2,-0.3 -0.453 58.1-126.7 -60.5 140.4 22.9 11.0 10.9 151 152 A T - 0 0 27 -98,-0.3 -6,-0.2 1,-0.1 3,-0.1 -0.621 5.0-145.4 -93.0 147.8 23.2 11.1 7.2 152 153 A S S S+ 0 0 91 -8,-2.4 2,-0.3 -2,-0.3 -7,-0.1 0.648 89.2 20.8 -88.1 -19.0 22.4 8.2 5.0 153 154 A K S S- 0 0 101 -9,-0.4 2,-0.4 0, 0.0 -1,-0.1 -0.942 100.0 -89.8-133.4 166.9 25.1 9.1 2.4 154 155 A K - 0 0 142 -2,-0.3 -142,-2.6 -3,-0.1 2,-0.7 -0.600 33.8-158.5 -88.8 123.9 28.2 11.3 2.9 155 156 A I E -B 11 0A 1 -103,-0.5 -103,-2.5 -2,-0.4 2,-0.3 -0.898 22.2-175.3-104.9 102.8 27.5 14.9 2.1 156 157 A T E -BD 10 51A 35 -146,-2.7 -146,-2.4 -2,-0.7 2,-1.2 -0.768 38.6-130.6-116.0 147.9 30.7 16.6 1.4 157 158 A I E +B 9 0A 0 -107,-2.8 -108,-3.5 -2,-0.3 -148,-0.2 -0.850 32.2 179.6 -87.1 89.4 32.1 20.1 0.7 158 159 A A E - 0 0 55 -150,-2.1 2,-0.3 -2,-1.2 -1,-0.2 0.840 67.6 -3.3 -64.6 -36.5 34.0 18.9 -2.4 159 160 A D E +B 8 0A 63 -151,-1.3 -151,-3.0 -3,-0.2 2,-0.3 -0.984 67.5 176.4-149.1 162.4 35.3 22.4 -3.0 160 161 A C E +B 7 0A 11 -2,-0.3 2,-0.3 -153,-0.2 -153,-0.2 -0.980 12.6 134.0-163.6 158.9 34.8 25.9 -1.5 161 162 A G E -B 6 0A 8 -155,-1.8 -155,-2.5 -2,-0.3 2,-0.4 -0.973 49.8 -66.5 177.9-174.3 36.1 29.4 -1.9 162 163 A Q E -B 5 0A 74 -2,-0.3 -157,-0.3 -157,-0.2 -2,-0.0 -0.896 28.0-180.0-102.4 139.4 35.3 33.1 -2.2 163 164 A L 0 0 71 -159,-2.9 -158,-0.2 -2,-0.4 -1,-0.2 0.893 360.0 360.0 -94.1 -51.1 33.4 34.6 -5.1 164 165 A E 0 0 145 -160,-1.0 -160,-2.5 -162,-0.1 -1,-0.3 -0.848 360.0 360.0-141.2 360.0 33.3 38.4 -4.2