==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-APR-96 1MEK . COMPND 2 MOLECULE: PROTEIN DISULFIDE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.KEMMINK,N.J.DARBY,K.DIJKSTRA,M.NILGES,T.E.CREIGHTON . 120 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 10.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0.8 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 . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.8 -8.1 9.9 17.5 2 2 A A - 0 0 72 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.986 360.0 -92.4-162.9 154.1 -4.9 8.4 15.9 3 3 A P - 0 0 107 0, 0.0 2,-0.1 0, 0.0 9,-0.0 -0.581 43.7-151.3 -73.3 111.7 -3.8 6.5 12.8 4 4 A E - 0 0 137 -2,-0.7 7,-1.1 7,-0.0 2,-0.3 -0.416 12.3-160.5 -79.9 159.8 -3.9 2.7 13.6 5 5 A E E -A 10 0A 108 5,-0.2 2,-0.5 -2,-0.1 5,-0.3 -0.829 14.6-128.7-134.2 174.5 -1.6 0.3 11.9 6 6 A E E > -A 9 0A 115 3,-3.7 3,-2.5 -2,-0.3 2,-1.6 -0.951 68.4 -53.3-130.5 115.3 -1.3 -3.5 11.2 7 7 A D T 3 S- 0 0 127 -2,-0.5 -2,-0.0 1,-0.3 3,-0.0 -0.310 126.2 -21.5 57.0 -88.3 1.8 -5.5 12.1 8 8 A H T 3 S+ 0 0 67 -2,-1.6 -1,-0.3 2,-0.1 54,-0.2 0.491 129.2 66.0-127.6 -11.0 4.3 -3.1 10.3 9 9 A V E < S-A 6 0A 4 -3,-2.5 -3,-3.7 52,-0.1 54,-0.2 -0.538 73.2-124.3-106.5 176.3 2.0 -1.3 7.7 10 10 A L E -Ab 5 63A 24 52,-2.0 54,-1.4 -5,-0.3 2,-0.3 -0.558 15.9-121.0-112.6-179.2 -0.8 1.1 8.2 11 11 A V E - b 0 64A 26 -7,-1.1 2,-0.3 52,-0.2 54,-0.2 -0.865 19.4-147.1-121.2 156.4 -4.4 1.3 7.1 12 12 A L + 0 0 1 52,-1.8 54,-0.4 -2,-0.3 2,-0.3 -0.781 17.5 169.2-120.7 167.0 -6.3 3.9 5.0 13 13 A R > - 0 0 74 -2,-0.3 4,-1.9 52,-0.1 5,-0.2 -0.872 55.9 -72.3-156.3-171.4 -9.8 5.3 4.9 14 14 A K T 4 S+ 0 0 131 -2,-0.3 4,-0.3 1,-0.2 -2,-0.0 0.739 134.1 35.6 -67.9 -19.0 -11.9 8.1 3.4 15 15 A S T 4 S+ 0 0 78 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.735 118.9 46.6-104.7 -29.6 -10.1 10.6 5.7 16 16 A N T > S+ 0 0 26 3,-0.1 4,-3.8 2,-0.1 5,-0.5 0.776 101.0 68.5 -84.3 -25.5 -6.6 9.1 5.8 17 17 A F H X S+ 0 0 14 -4,-1.9 4,-2.4 1,-0.2 5,-0.4 0.992 101.3 42.7 -56.8 -66.2 -6.3 8.6 2.1 18 18 A A H > S+ 0 0 72 -4,-0.3 4,-0.8 -5,-0.2 -1,-0.2 0.770 125.3 41.3 -53.5 -21.8 -6.2 12.3 1.0 19 19 A E H > S+ 0 0 126 -4,-0.4 4,-1.9 2,-0.2 5,-0.3 0.923 111.4 48.2 -91.1 -63.1 -3.8 12.7 4.0 20 20 A A H X S+ 0 0 13 -4,-3.8 4,-2.0 1,-0.2 -3,-0.2 0.854 114.9 51.2 -47.6 -34.6 -1.5 9.7 3.9 21 21 A L H < S+ 0 0 1 -4,-2.4 70,-0.5 -5,-0.5 -1,-0.2 0.975 119.9 31.6 -70.0 -53.1 -1.1 10.4 0.2 22 22 A A H < S+ 0 0 67 -4,-0.8 -2,-0.2 -5,-0.4 -1,-0.2 0.469 121.0 56.4 -83.4 1.3 -0.2 14.1 0.6 23 23 A A H < S+ 0 0 60 -4,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.838 110.5 35.1 -98.9 -42.9 1.5 13.4 3.9 24 24 A H < - 0 0 65 -4,-2.0 66,-0.7 -5,-0.3 67,-0.4 -0.942 67.8-148.6-116.3 125.6 4.1 10.7 3.0 25 25 A K S S+ 0 0 101 -2,-0.5 65,-3.2 65,-0.2 2,-0.8 0.984 93.1 42.0 -53.1 -65.3 5.9 10.8 -0.4 26 26 A Y E S+C 89 0A 33 33,-0.3 35,-1.4 63,-0.2 2,-0.4 -0.724 77.3 154.3 -86.7 110.1 6.2 7.0 -0.7 27 27 A L E -Cd 88 61A 1 61,-1.8 61,-2.6 -2,-0.8 2,-0.3 -0.926 25.2-160.5-141.5 117.4 3.0 5.4 0.4 28 28 A L E +C 87 0A 4 33,-3.1 2,-0.3 -2,-0.4 59,-0.2 -0.674 13.5 176.7 -94.4 149.6 1.6 2.0 -0.7 29 29 A V E -C 86 0A 0 57,-2.9 57,-2.8 -2,-0.3 2,-0.4 -0.967 9.0-168.7-153.4 134.1 -2.1 1.1 -0.4 30 30 A E E -Ce 85 64A 3 33,-0.9 35,-3.0 -2,-0.3 2,-0.6 -0.958 16.0-139.3-126.9 144.5 -4.1 -2.0 -1.4 31 31 A F E +Ce 84 65A 1 53,-3.5 53,-1.5 -2,-0.4 2,-0.2 -0.872 39.8 144.0-104.6 116.0 -7.9 -2.5 -1.5 32 32 A Y E - e 0 66A 37 33,-2.5 35,-2.6 -2,-0.6 36,-0.6 -0.820 34.9-128.7-138.9 179.4 -9.1 -5.9 -0.3 33 33 A A - 0 0 3 -2,-0.2 3,-0.5 33,-0.2 6,-0.1 -0.905 24.7-116.4-132.2 162.6 -12.0 -7.5 1.6 34 34 A P S S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 32,-0.0 0.732 118.4 50.0 -69.1 -21.2 -12.4 -9.8 4.6 35 35 A W S S+ 0 0 170 4,-0.0 4,-0.0 -3,-0.0 -3,-0.0 0.649 86.6 108.0 -91.7 -14.7 -14.1 -12.4 2.2 36 36 A a - 0 0 20 -3,-0.5 -4,-0.0 1,-0.1 0, 0.0 -0.197 50.5-165.4 -58.5 154.9 -11.2 -12.2 -0.3 37 37 A G S > S+ 0 0 56 45,-0.1 3,-0.7 2,-0.1 4,-0.2 0.688 84.1 49.7-114.2 -32.2 -9.0 -15.3 -0.5 38 38 A H T 3 S+ 0 0 146 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.311 92.6 80.4 -90.8 11.8 -6.0 -14.1 -2.5 39 39 A a T 3 S+ 0 0 5 1,-0.2 -1,-0.2 -6,-0.1 -3,-0.1 0.377 95.0 43.7 -97.3 6.3 -5.7 -10.9 -0.3 40 40 A K S X S+ 0 0 147 -3,-0.7 3,-1.7 2,-0.1 -1,-0.2 0.387 76.4 101.8-127.2 -0.5 -3.8 -12.8 2.5 41 41 A A T 3 S+ 0 0 57 1,-0.3 -2,-0.1 -4,-0.2 -3,-0.1 0.750 103.1 24.9 -58.5 -18.3 -1.3 -14.9 0.5 42 42 A L T 3> S+ 0 0 16 -4,-0.1 4,-4.2 62,-0.1 5,-0.4 0.058 80.0 127.8-133.7 27.2 1.3 -12.3 1.5 43 43 A A H <> S+ 0 0 42 -3,-1.7 4,-0.7 1,-0.3 -2,-0.1 0.930 89.7 33.9 -49.7 -48.8 -0.2 -10.9 4.8 44 44 A P H > S+ 0 0 72 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.593 119.8 54.0 -83.2 -11.3 3.1 -11.5 6.6 45 45 A E H > S+ 0 0 54 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.850 106.6 48.6 -89.5 -37.8 5.1 -10.8 3.3 46 46 A Y H < S+ 0 0 12 -4,-4.2 4,-0.2 1,-0.2 -3,-0.2 0.742 114.3 48.7 -73.0 -20.5 3.5 -7.4 2.7 47 47 A A H X S+ 0 0 2 -4,-0.7 4,-0.6 -5,-0.4 3,-0.5 0.744 103.3 59.6 -90.8 -24.1 4.2 -6.5 6.4 48 48 A K H >X S+ 0 0 112 -4,-0.6 4,-1.3 1,-0.2 3,-1.0 0.879 96.9 60.2 -72.1 -34.8 7.9 -7.6 6.3 49 49 A A H 3< S+ 0 0 4 -4,-1.2 4,-0.3 1,-0.3 -1,-0.2 0.751 102.6 54.5 -65.2 -18.8 8.8 -5.2 3.5 50 50 A A H 34 S+ 0 0 5 -3,-0.5 4,-0.4 -4,-0.2 -1,-0.3 0.695 105.4 51.8 -87.4 -18.1 7.7 -2.4 5.9 51 51 A G H > S+ 0 0 12 -4,-0.3 4,-2.7 -3,-0.2 3,-1.3 0.787 92.3 75.4 -85.4 -27.6 13.2 0.2 6.8 54 54 A K T 34 S+ 0 0 157 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.887 98.0 48.6 -52.0 -36.9 12.8 0.1 10.6 55 55 A A T 3< S+ 0 0 96 -4,-1.0 -1,-0.3 -3,-0.1 -2,-0.2 0.735 125.5 29.4 -76.7 -19.8 16.5 -0.9 10.8 56 56 A E T <4 S- 0 0 161 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.842 98.2-126.0-103.3 -59.4 17.5 1.9 8.3 57 57 A G < + 0 0 62 -4,-2.7 -3,-0.2 3,-0.1 -4,-0.1 0.617 45.1 161.7 117.9 24.8 15.0 4.7 8.9 58 58 A S - 0 0 42 -5,-0.5 -1,-0.0 1,-0.1 -2,-0.0 -0.161 44.5-126.5 -68.1 170.1 13.7 5.3 5.3 59 59 A E + 0 0 78 2,-0.0 2,-0.3 -32,-0.0 -33,-0.3 0.222 68.8 120.7-104.1 15.9 10.4 7.2 4.8 60 60 A I + 0 0 4 -35,-0.1 2,-0.3 -33,-0.1 -33,-0.2 -0.614 37.4 174.6 -81.1 135.5 8.7 4.4 2.6 61 61 A R B -d 27 0A 82 -35,-1.4 -33,-3.1 -2,-0.3 2,-0.2 -0.997 17.8-151.6-142.3 146.9 5.5 3.1 4.0 62 62 A L - 0 0 6 -2,-0.3 -52,-2.0 -35,-0.2 2,-0.3 -0.670 15.4-177.1-111.1 169.2 2.8 0.6 2.8 63 63 A A E -b 10 0A 0 -2,-0.2 -33,-0.9 -54,-0.2 2,-0.3 -0.979 12.4-150.4-157.6 170.0 -0.9 0.4 3.7 64 64 A K E -be 11 30A 22 -54,-1.4 -52,-1.8 -2,-0.3 2,-0.3 -0.984 7.2-153.4-145.3 155.7 -4.2 -1.6 3.1 65 65 A V E - e 0 31A 3 -35,-3.0 -33,-2.5 -2,-0.3 2,-1.1 -0.966 19.6-127.6-132.8 150.6 -7.9 -0.8 3.0 66 66 A D E >> - e 0 32A 39 -54,-0.4 4,-2.0 -2,-0.3 3,-1.9 -0.738 15.8-164.4 -97.2 92.3 -11.0 -2.9 3.6 67 67 A A T 34 S+ 0 0 1 -35,-2.6 -34,-0.2 -2,-1.1 -1,-0.2 0.801 94.4 50.3 -46.0 -27.0 -13.2 -2.4 0.5 68 68 A T T 34 S+ 0 0 69 -36,-0.6 -1,-0.3 -3,-0.1 -35,-0.1 0.777 114.8 42.5 -84.3 -25.4 -16.0 -3.8 2.6 69 69 A E T <4 S+ 0 0 109 -3,-1.9 -2,-0.2 -56,-0.0 -1,-0.1 0.955 134.8 11.6 -84.3 -60.0 -15.4 -1.3 5.5 70 70 A E < + 0 0 18 -4,-2.0 -3,-0.2 -58,-0.1 -2,-0.1 0.964 67.6 164.5 -82.2 -66.7 -14.7 1.9 3.6 71 71 A S + 0 0 44 -5,-0.3 4,-0.3 1,-0.1 -4,-0.1 0.731 52.1 100.7 57.4 17.8 -15.8 1.2 0.0 72 72 A D S S+ 0 0 88 2,-0.1 4,-0.5 3,-0.1 -1,-0.1 0.762 84.5 34.6-101.9 -32.2 -15.7 5.0 -0.5 73 73 A L S > S+ 0 0 18 2,-0.1 4,-1.7 3,-0.1 5,-0.1 0.698 115.1 57.4 -94.3 -21.1 -12.4 5.3 -2.3 74 74 A A H >>S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 5,-1.6 0.919 105.6 48.4 -76.0 -42.4 -12.6 2.0 -4.2 75 75 A Q H 45S+ 0 0 160 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.854 112.8 50.4 -66.6 -30.8 -15.9 2.9 -5.9 76 76 A Q H 45S+ 0 0 144 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 113.6 42.7 -73.6 -42.4 -14.5 6.2 -6.9 77 77 A Y H <5S- 0 0 69 -4,-1.7 -2,-0.2 1,-0.0 -1,-0.2 0.762 106.8-129.8 -75.1 -22.2 -11.3 4.7 -8.4 78 78 A G T <5 - 0 0 49 -4,-1.8 -3,-0.2 -5,-0.1 -4,-0.1 0.958 28.7-156.7 74.2 50.3 -13.3 2.0 -10.0 79 79 A V < - 0 0 34 -5,-1.6 3,-0.1 1,-0.1 5,-0.0 -0.004 12.2-135.2 -52.3 167.1 -11.2 -0.9 -8.8 80 80 A R - 0 0 242 1,-0.5 -1,-0.1 3,-0.0 2,-0.1 -0.199 61.4 -61.4-122.4 44.2 -11.3 -4.2 -10.8 81 81 A G S S- 0 0 43 3,-0.1 -1,-0.5 -49,-0.0 -50,-0.1 -0.145 80.8 -29.1 98.7 161.2 -11.6 -6.8 -8.0 82 82 A Y S S+ 0 0 59 -3,-0.1 -50,-0.1 1,-0.1 -44,-0.1 -0.702 104.1 43.8-103.6 158.9 -9.3 -7.7 -5.2 83 83 A P S S+ 0 0 47 0, 0.0 2,-0.5 0, 0.0 -51,-0.2 0.497 70.5 170.5 -80.4 148.7 -6.6 -7.8 -4.3 84 84 A T E -C 31 0A 13 -53,-1.5 -53,-3.5 -2,-0.1 2,-0.3 -0.895 10.1-170.6-125.9 105.0 -5.9 -4.3 -5.7 85 85 A I E +C 30 0A 39 -2,-0.5 14,-0.6 -55,-0.3 2,-0.3 -0.701 6.4 179.7 -94.4 146.1 -2.5 -2.7 -4.8 86 86 A K E -CF 29 98A 29 -57,-2.8 -57,-2.9 -2,-0.3 2,-0.5 -0.999 17.3-147.5-144.6 146.1 -1.7 0.9 -5.6 87 87 A F E -CF 28 97A 8 10,-1.8 10,-1.6 -2,-0.3 2,-0.4 -0.947 12.1-164.0-118.5 125.7 1.3 3.2 -5.0 88 88 A F E -C 27 0A 0 -61,-2.6 -61,-1.8 -2,-0.5 2,-0.7 -0.842 9.1-149.6-107.6 143.3 1.0 6.9 -4.4 89 89 A R E S-C 26 0A 97 -2,-0.4 -63,-0.2 -63,-0.2 -64,-0.2 -0.832 75.1 -42.2-113.7 98.0 3.8 9.5 -4.6 90 90 A N S S- 0 0 86 -65,-3.2 -65,-0.2 -2,-0.7 -68,-0.2 0.902 123.0 -43.0 53.2 40.6 3.4 12.4 -2.3 91 91 A G S S+ 0 0 25 -70,-0.5 -69,-0.1 -67,-0.4 -73,-0.0 0.857 72.6 173.0 71.8 101.2 -0.3 12.5 -3.2 92 92 A D + 0 0 58 2,-0.0 -4,-0.1 0, 0.0 -2,-0.0 0.812 3.9 177.7-106.6 -50.3 -0.9 12.1 -6.9 93 93 A T S S+ 0 0 98 1,-0.2 -5,-0.0 2,-0.0 -75,-0.0 0.933 72.4 54.2 44.6 56.8 -4.7 11.8 -7.4 94 94 A A S S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.078 118.3 6.2-175.3 -55.0 -4.4 11.6 -11.2 95 95 A S S S+ 0 0 98 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.458 70.3 174.6-149.7 72.5 -2.0 8.9 -12.4 96 96 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 -8,-0.2 -0.175 31.5-109.5 -72.3 170.7 -0.8 6.6 -9.6 97 97 A K E -F 87 0A 100 -10,-1.6 -10,-1.8 0, 0.0 2,-0.4 -0.529 23.6-132.8 -98.5 169.6 1.3 3.5 -10.4 98 98 A E E -F 86 0A 117 -12,-0.2 2,-0.5 -2,-0.2 -12,-0.2 -0.953 18.1-117.0-124.7 143.3 0.3 -0.2 -10.0 99 99 A Y - 0 0 18 -14,-0.6 -14,-0.2 -2,-0.4 9,-0.0 -0.638 19.7-168.7 -79.4 122.4 2.2 -3.0 -8.3 100 100 A T + 0 0 123 -2,-0.5 -1,-0.1 7,-0.1 2,-0.1 0.138 66.5 70.4 -95.5 22.1 3.1 -5.7 -10.9 101 101 A A + 0 0 37 6,-0.1 7,-0.0 7,-0.0 -2,-0.0 -0.265 40.9 159.6-116.5-154.3 4.1 -8.2 -8.2 102 102 A G + 0 0 51 2,-0.2 3,-0.1 -2,-0.1 -61,-0.0 0.528 46.9 93.8 133.0 63.9 2.3 -10.2 -5.5 103 103 A R S S- 0 0 191 1,-0.4 2,-0.3 -61,-0.1 -57,-0.1 0.483 87.8 -24.4-143.5 -42.5 4.3 -13.2 -4.1 104 104 A E S >> S- 0 0 68 -59,-0.1 4,-1.0 1,-0.1 3,-0.5 -0.981 73.3 -77.4-166.2 174.5 6.2 -12.2 -1.0 105 105 A A H >> S+ 0 0 16 -2,-0.3 4,-2.3 1,-0.2 3,-1.2 0.895 122.9 63.7 -52.2 -39.7 7.9 -9.3 1.0 106 106 A D H 3> S+ 0 0 95 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.951 98.1 53.9 -51.6 -49.5 10.8 -9.4 -1.5 107 107 A D H <> S+ 0 0 46 -3,-0.5 4,-1.1 1,-0.2 -1,-0.3 0.804 109.3 51.4 -56.7 -25.3 8.4 -8.4 -4.3 108 108 A I H X S+ 0 0 10 -4,-1.4 4,-1.5 1,-0.2 3,-1.4 0.865 104.3 58.9 -73.6 -33.7 10.4 -0.1 -3.5 113 113 A K H 3< S+ 0 0 90 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 90.6 70.5 -64.1 -33.0 14.2 -0.4 -4.1 114 114 A K T 3< S+ 0 0 184 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.764 108.5 36.8 -56.5 -20.2 13.7 0.9 -7.6 115 115 A R T <4 S+ 0 0 115 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.721 137.0 15.7-103.1 -27.3 13.0 4.3 -6.0 116 116 A T S < S+ 0 0 48 -4,-1.5 -3,-0.2 -58,-0.0 -2,-0.1 0.764 77.2 158.2-109.7 -71.1 15.5 4.1 -3.1 117 117 A G - 0 0 28 -5,-0.2 -3,-0.0 1,-0.1 -7,-0.0 0.195 58.3 -88.9 61.1 164.8 18.1 1.4 -3.5 118 118 A P + 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.970 48.3 172.3 -74.6 -57.4 21.5 1.6 -1.7 119 119 A A 0 0 94 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.839 360.0 360.0 51.7 30.5 23.5 3.6 -4.2 120 120 A A 0 0 160 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.994 360.0 360.0 -65.4 360.0 26.2 3.8 -1.6