==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-AUG-06 2I6K . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ZHANG,Z.WEI,W.GONG . 444 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 18.5 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 . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 37 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 4 1 3 0 0 2 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 0 0 0 0 2 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 . 8 2 2 0 2 2 0 0 2 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 0 0 0 2 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 4 A I 0 0 139 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.6 -14.0 20.9 -8.3 2 5 A N > - 0 0 111 1,-0.1 3,-0.6 2,-0.0 2,-0.1 -0.757 360.0-177.9-119.1 106.8 -11.2 22.9 -7.3 3 6 A T G > + 0 0 36 -2,-0.6 3,-0.6 1,-0.2 -1,-0.1 -0.038 54.4 109.4 -95.7 31.3 -7.8 21.6 -6.3 4 7 A N G 3 + 0 0 123 1,-0.2 -1,-0.2 -2,-0.1 4,-0.1 0.744 69.9 58.9 -82.2 -18.4 -6.3 25.0 -5.5 5 8 A H G < S+ 0 0 171 -3,-0.6 -1,-0.2 2,-0.1 2,-0.2 0.543 97.8 87.8 -85.9 -0.8 -6.2 24.6 -1.7 6 9 A L S < S- 0 0 53 -3,-0.6 64,-0.1 1,-0.1 5,-0.1 -0.614 91.1 -82.1-105.4 153.7 -4.0 21.5 -2.2 7 10 A D > - 0 0 58 63,-0.4 4,-1.8 -2,-0.2 5,-0.1 -0.216 34.9-135.7 -57.1 135.5 -0.2 20.9 -2.5 8 11 A K H > S+ 0 0 166 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.849 101.0 48.9 -66.3 -41.7 1.1 21.4 -6.1 9 12 A Q H > S+ 0 0 104 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.890 113.2 49.1 -66.7 -37.8 3.3 18.3 -6.4 10 13 A Q H 4 S+ 0 0 2 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.851 108.9 53.8 -66.5 -35.4 0.4 16.1 -5.1 11 14 A V H >< S+ 0 0 38 -4,-1.8 3,-1.3 1,-0.2 4,-0.2 0.892 102.8 55.8 -69.6 -40.7 -1.9 17.8 -7.6 12 15 A Q H >< S+ 0 0 148 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.849 101.5 58.9 -57.4 -32.7 0.3 17.0 -10.5 13 16 A L G >< S+ 0 0 36 -4,-1.0 3,-1.7 1,-0.3 20,-0.3 0.692 87.1 77.9 -74.5 -14.2 0.2 13.3 -9.5 14 17 A L G < S+ 0 0 13 -3,-1.3 20,-1.8 -4,-0.5 21,-0.3 0.620 82.1 65.7 -68.4 -12.3 -3.6 13.5 -9.9 15 18 A A G < S+ 0 0 73 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.519 75.5 115.7 -86.4 -8.3 -3.2 13.2 -13.7 16 19 A E S < S- 0 0 45 -3,-1.7 17,-2.7 -4,-0.1 2,-0.6 -0.353 70.4-120.7 -63.3 142.5 -1.8 9.7 -13.4 17 20 A X E -A 32 0A 81 15,-0.2 71,-3.2 16,-0.1 15,-0.3 -0.795 29.1-164.1 -93.9 117.4 -3.9 7.0 -15.0 18 21 A C E -AB 31 87A 1 13,-3.2 13,-1.8 -2,-0.6 2,-0.6 -0.520 26.7-101.5 -91.3 162.9 -5.1 4.2 -12.6 19 22 A I E -A 30 0A 0 67,-0.7 30,-1.9 30,-0.3 2,-0.5 -0.756 27.9-148.2 -89.2 119.4 -6.6 0.8 -13.5 20 23 A L E -AC 29 48A 19 9,-2.2 8,-3.5 -2,-0.6 9,-1.5 -0.764 25.9-178.2 -84.8 130.2 -10.3 0.6 -13.3 21 24 A I E -A 27 0A 2 26,-2.2 26,-0.3 -2,-0.5 6,-0.2 -0.846 25.7-121.1-127.3 161.1 -11.4 -3.0 -12.3 22 25 A D > - 0 0 52 4,-2.1 3,-2.0 -2,-0.3 6,-0.1 -0.330 52.9 -82.9 -86.7-178.5 -14.6 -4.9 -11.7 23 26 A E T 3 S+ 0 0 122 1,-0.3 -1,-0.0 2,-0.1 198,-0.0 0.655 131.1 55.0 -64.8 -10.9 -15.2 -6.5 -8.3 24 27 A N T 3 S- 0 0 100 2,-0.1 -1,-0.3 122,-0.0 3,-0.1 0.152 119.8-104.8-107.3 16.8 -13.1 -9.5 -9.4 25 28 A D S < S+ 0 0 2 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.752 72.3 144.3 67.7 25.8 -10.0 -7.5 -10.3 26 29 A N - 0 0 88 -4,-0.0 -4,-2.1 1,-0.0 -1,-0.3 -0.841 57.8-108.0 -89.3 135.5 -10.5 -7.8 -14.0 27 30 A K E +A 21 0A 99 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.401 44.3 165.2 -66.3 133.6 -9.4 -4.6 -15.9 28 31 A I E - 0 0 113 -8,-3.5 2,-0.3 1,-0.3 -7,-0.2 0.501 58.4 -41.3-126.7 -13.2 -12.4 -2.5 -17.2 29 32 A G E -A 20 0A 21 -9,-1.5 -9,-2.2 2,-0.0 -1,-0.3 -0.976 55.4 -91.7 177.1-163.4 -10.8 0.8 -18.1 30 33 A A E +A 19 0A 43 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.995 35.0 171.9-141.4 140.4 -8.4 3.6 -17.1 31 34 A E E -A 18 0A 51 -13,-1.8 -13,-3.2 -2,-0.3 57,-0.1 -0.993 37.3 -92.5-150.0 146.6 -9.2 6.8 -15.1 32 35 A T E > -A 17 0A 33 -2,-0.3 4,-2.4 -15,-0.3 -15,-0.2 -0.304 34.9-117.9 -60.1 144.7 -7.2 9.6 -13.5 33 36 A K H > S+ 0 0 24 -17,-2.7 4,-1.0 -20,-0.3 -18,-0.2 0.867 114.8 56.0 -45.1 -46.2 -6.1 9.3 -9.9 34 37 A K H >4 S+ 0 0 46 -20,-1.8 3,-1.1 1,-0.2 4,-0.4 0.950 109.1 42.6 -56.7 -54.4 -8.2 12.4 -9.1 35 38 A N H >4 S+ 0 0 50 -21,-0.3 3,-0.9 1,-0.3 -1,-0.2 0.858 111.1 57.3 -63.4 -34.6 -11.5 10.9 -10.5 36 39 A C H 3< S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.709 109.5 46.7 -66.0 -22.1 -10.7 7.6 -8.9 37 40 A H T << S+ 0 0 5 -3,-1.1 105,-2.3 -4,-1.0 2,-0.5 0.386 83.0 106.0-108.2 6.6 -10.5 9.3 -5.5 38 41 A L B X> -L 141 0B 11 -3,-0.9 4,-2.2 -4,-0.4 3,-1.0 -0.755 64.5-143.5 -86.2 126.2 -13.6 11.5 -5.6 39 42 A N H 3> S+ 0 0 10 101,-2.6 4,-2.5 -2,-0.5 5,-0.2 0.866 101.7 61.9 -53.3 -39.2 -16.3 10.1 -3.3 40 43 A E H 34 S+ 0 0 111 100,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.866 109.7 40.6 -56.6 -36.9 -18.9 11.3 -5.9 41 44 A N H X4>S+ 0 0 23 -3,-1.0 5,-1.8 -6,-0.2 3,-0.9 0.845 111.3 54.5 -81.6 -36.2 -17.3 8.9 -8.4 42 45 A I H ><5S+ 0 0 9 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.830 103.6 58.1 -64.4 -31.2 -16.8 6.0 -5.9 43 46 A E T 3<5S+ 0 0 169 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.676 99.8 58.7 -71.0 -17.7 -20.6 6.3 -5.2 44 47 A K T < 5S- 0 0 157 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.250 131.7 -95.1 -92.2 10.2 -21.0 5.7 -8.9 45 48 A G T < 5 + 0 0 52 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.374 67.8 160.9 98.6 -2.9 -19.2 2.3 -8.5 46 49 A L < + 0 0 37 -5,-1.8 2,-0.3 -11,-0.1 -1,-0.3 -0.332 9.8 171.9 -63.3 127.3 -15.7 3.4 -9.5 47 50 A L - 0 0 6 -26,-0.3 -26,-2.2 -2,-0.1 2,-0.3 -0.999 8.4-169.1-141.8 129.9 -13.1 1.0 -8.2 48 51 A H E -Cd 20 145A 0 96,-1.9 98,-1.5 -2,-0.3 2,-0.2 -0.835 25.9-101.0-125.7 162.0 -9.3 0.9 -8.9 49 52 A R E + d 0 146A 5 -30,-1.9 -30,-0.3 -2,-0.3 2,-0.3 -0.592 46.2 164.5 -83.0 144.2 -6.3 -1.4 -8.5 50 53 A A E - d 0 147A 0 96,-1.7 98,-2.7 -2,-0.2 2,-0.3 -0.922 23.3-141.4-150.3 166.9 -3.8 -0.7 -5.7 51 54 A F E -Ed 84 148A 0 33,-2.8 33,-1.8 -2,-0.3 2,-0.4 -0.993 1.0-159.2-140.4 150.7 -1.0 -2.1 -3.6 52 55 A S E -Ed 83 149A 0 96,-2.9 98,-3.8 -2,-0.3 2,-0.4 -0.993 12.9-156.8-126.6 124.7 0.3 -2.0 -0.0 53 56 A V E -Ed 82 150A 0 29,-3.2 29,-1.1 -2,-0.4 2,-0.5 -0.806 6.7-168.3-100.6 136.0 3.9 -2.8 0.9 54 57 A F E - d 0 151A 0 96,-2.5 98,-2.3 -2,-0.4 2,-0.6 -0.964 13.1-167.2-120.1 110.2 5.0 -4.0 4.3 55 58 A L E - d 0 152A 0 -2,-0.5 8,-3.0 8,-0.5 2,-0.4 -0.887 4.5-172.0-106.0 120.7 8.8 -3.9 4.6 56 59 A F E -Fd 62 153A 0 96,-2.7 98,-1.9 -2,-0.6 6,-0.2 -0.880 14.7-140.2-106.0 137.9 10.5 -5.7 7.5 57 60 A N > - 0 0 15 4,-2.3 3,-1.6 -2,-0.4 98,-0.2 -0.231 39.4 -89.1 -82.2-174.6 14.3 -5.3 8.1 58 61 A T T 3 S+ 0 0 94 1,-0.3 97,-0.1 2,-0.2 -1,-0.1 0.642 129.0 61.5 -78.1 -11.7 16.5 -8.2 9.2 59 62 A E T 3 S- 0 0 144 2,-0.1 -1,-0.3 113,-0.0 -2,-0.0 0.293 120.8-113.6 -82.7 7.2 15.8 -7.4 12.9 60 63 A N < + 0 0 65 -3,-1.6 2,-0.4 1,-0.2 -2,-0.2 0.779 67.3 148.7 59.5 32.9 12.1 -8.2 11.8 61 64 A K - 0 0 57 111,-0.1 -4,-2.3 109,-0.0 2,-0.4 -0.821 46.4-126.8 -95.8 135.3 11.0 -4.6 12.4 62 65 A L E -FG 56 171A 0 109,-2.2 109,-2.6 -2,-0.4 2,-0.7 -0.656 17.7-131.8 -79.8 129.8 8.2 -3.2 10.3 63 66 A L E - G 0 170A 0 -8,-3.0 -8,-0.5 -2,-0.4 18,-0.4 -0.749 29.2-170.7 -82.1 117.0 9.0 0.1 8.5 64 67 A L E - G 0 169A 0 105,-3.4 105,-2.3 -2,-0.7 2,-0.3 -0.820 5.9-157.2-106.7 150.5 6.1 2.5 9.1 65 68 A Q E -HG 79 168A 2 14,-2.2 14,-2.3 -2,-0.3 2,-0.5 -0.874 11.8-142.1-119.8 155.8 5.6 5.9 7.5 66 69 A Q E -HG 78 167A 31 101,-3.1 100,-2.9 -2,-0.3 101,-1.1 -0.993 30.9-122.7-113.2 123.0 3.6 8.9 8.4 67 70 A R E - G 0 165A 17 10,-2.6 9,-1.2 -2,-0.5 98,-0.3 -0.353 30.4-112.1 -63.7 136.5 1.9 10.5 5.4 68 71 A S > - 0 0 6 96,-1.9 8,-0.8 7,-0.2 3,-0.8 -0.150 24.0-110.5 -60.5 165.4 2.9 14.2 5.0 69 72 A D T 3 S+ 0 0 105 6,-0.2 -62,-0.1 1,-0.2 -1,-0.1 0.594 114.6 71.2 -71.8 -10.8 0.4 17.0 5.5 70 73 A A T 3 S+ 0 0 22 93,-0.2 -63,-0.4 -64,-0.1 -1,-0.2 0.713 70.8 107.7 -74.9 -25.9 0.6 17.4 1.7 71 74 A K < - 0 0 10 -3,-0.8 93,-0.0 1,-0.1 -4,-0.0 -0.324 63.9-146.4 -61.1 137.2 -1.2 14.2 0.9 72 75 A I S S+ 0 0 18 2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.833 86.3 47.1 -76.3 -36.5 -4.8 14.8 -0.4 73 76 A T S S- 0 0 14 1,-0.2 -1,-0.1 64,-0.1 69,-0.1 -0.903 129.0 -11.3-104.7 136.7 -6.1 11.6 1.2 74 77 A F S > S- 0 0 17 -2,-0.4 3,-1.3 1,-0.1 -7,-0.2 0.802 77.5-171.1 48.6 48.5 -5.4 10.8 4.8 75 78 A P T 3 + 0 0 50 0, 0.0 -6,-0.2 0, 0.0 -7,-0.2 -0.373 68.4 21.8 -65.9 149.8 -2.6 13.3 5.5 76 79 A G T 3 S+ 0 0 13 -9,-1.2 113,-0.4 -8,-0.8 2,-0.3 0.418 94.0 138.0 78.7 -1.6 -0.7 13.0 8.8 77 80 A C < - 0 0 4 -3,-1.3 -10,-2.6 -9,-0.3 113,-0.3 -0.578 52.9-129.7 -88.3 137.4 -1.7 9.3 9.1 78 81 A F E +Hi 66 190A 24 111,-3.3 113,-1.8 -2,-0.3 2,-0.3 -0.603 44.0 149.6 -78.8 144.5 0.5 6.5 10.2 79 82 A T E -H 65 0A 2 -14,-2.3 -14,-2.2 -2,-0.2 4,-0.0 -0.943 44.6 -61.7-166.7 168.5 0.5 3.5 7.9 80 83 A N S S- 0 0 0 -2,-0.3 -15,-0.3 -16,-0.2 -26,-0.2 -0.014 70.8 -74.5 -62.8 175.7 2.5 0.6 6.4 81 84 A T S S- 0 0 0 -18,-0.4 2,-0.3 -28,-0.2 -27,-0.2 0.767 101.5 -19.8 -42.4 -53.3 5.7 1.1 4.4 82 85 A C E -E 53 0A 0 -29,-1.1 -29,-3.2 -17,-0.1 2,-0.3 -0.932 56.2-172.6-167.5 127.7 4.3 2.3 1.1 83 86 A C E +E 52 0A 20 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.974 23.6 121.8-124.7 148.6 1.0 2.3 -0.8 84 87 A S E -E 51 0A 7 -33,-1.8 -33,-2.8 -2,-0.3 21,-0.1 -0.890 49.3 -80.0-167.6-153.4 0.0 3.4 -4.3 85 88 A H - 0 0 10 -35,-0.3 2,-0.2 -2,-0.3 -35,-0.2 -0.965 32.2-116.9-129.1 136.8 -1.6 2.3 -7.6 86 89 A P - 0 0 0 0, 0.0 -67,-0.7 0, 0.0 -37,-0.2 -0.583 45.1-118.1 -64.5 138.4 -0.2 0.3 -10.6 87 90 A L B -B 18 0A 24 -2,-0.2 2,-2.2 13,-0.2 -69,-0.2 -0.471 16.7-110.2 -84.7 153.4 -0.4 2.7 -13.5 88 91 A S S S+ 0 0 32 -71,-3.2 -1,-0.1 -2,-0.1 -70,-0.1 -0.390 82.6 109.7 -77.9 62.0 -2.4 2.2 -16.6 89 92 A N S > S- 0 0 25 -2,-2.2 4,-1.6 160,-0.1 3,-0.4 -0.896 84.0-104.3-128.1 162.7 0.7 1.6 -18.8 90 93 A P T 4 S+ 0 0 33 0, 0.0 4,-0.4 0, 0.0 177,-0.1 0.760 118.4 55.7 -60.9 -24.4 2.0 -1.7 -20.4 91 94 A A T 4 S+ 0 0 0 1,-0.2 3,-0.3 2,-0.1 12,-0.2 0.929 119.0 30.6 -67.2 -44.5 4.7 -2.0 -17.8 92 95 A E T 4 S+ 0 0 3 -3,-0.4 -1,-0.2 1,-0.2 12,-0.1 0.435 108.7 65.7-104.0 1.2 2.3 -2.0 -14.9 93 96 A L S < S+ 0 0 44 -4,-1.6 -1,-0.2 7,-0.1 -2,-0.1 0.588 72.8 125.0 -87.7 -13.2 -0.8 -3.5 -16.4 94 97 A E - 0 0 24 -4,-0.4 6,-2.6 -3,-0.3 7,-0.4 -0.243 36.9-179.0 -56.1 120.7 1.2 -6.7 -16.7 95 98 A E > + 0 0 97 4,-0.2 3,-1.9 3,-0.2 2,-0.3 0.596 42.6 113.8-101.5 -13.6 -0.7 -9.5 -15.0 96 99 A S G > S- 0 0 68 1,-0.3 3,-1.8 2,-0.1 4,-0.1 -0.476 106.1 -13.5 -57.7 116.8 1.6 -12.4 -15.5 97 100 A D G 3 S- 0 0 139 -2,-0.3 -1,-0.3 1,-0.3 30,-0.1 0.722 115.4 -77.9 57.9 27.4 2.7 -13.2 -11.9 98 101 A A G <> S+ 0 0 13 -3,-1.9 4,-1.8 1,-0.1 3,-0.5 0.825 87.9 151.7 52.3 33.5 1.3 -9.9 -10.7 99 102 A L H <> + 0 0 38 -3,-1.8 4,-2.1 1,-0.2 5,-0.2 0.839 60.3 60.9 -64.4 -34.7 4.4 -8.4 -12.2 100 103 A G H > S+ 0 0 1 -6,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.853 107.5 43.3 -62.9 -38.1 2.8 -5.1 -13.0 101 104 A V H > S+ 0 0 5 -3,-0.5 4,-2.4 -7,-0.4 -1,-0.2 0.905 112.3 52.7 -73.4 -41.7 2.0 -4.4 -9.3 102 105 A R H X S+ 0 0 36 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.802 110.3 49.0 -63.0 -32.8 5.4 -5.5 -8.1 103 106 A R H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.831 109.9 51.9 -70.6 -37.5 7.0 -3.1 -10.6 104 107 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.879 109.3 50.0 -63.3 -45.1 4.7 -0.4 -9.3 105 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.902 110.0 49.7 -58.1 -49.0 5.8 -1.1 -5.7 106 109 A Q H X S+ 0 0 37 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.922 112.1 49.4 -59.3 -46.2 9.5 -0.9 -6.7 107 110 A R H X S+ 0 0 57 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.926 114.7 43.0 -58.6 -48.0 8.8 2.4 -8.5 108 111 A R H X>S+ 0 0 10 -4,-2.6 4,-3.7 2,-0.2 5,-0.5 0.815 106.7 59.9 -72.8 -31.1 7.0 3.9 -5.5 109 112 A L H X5S+ 0 0 1 -4,-2.8 6,-1.5 1,-0.2 4,-1.4 0.890 111.4 43.3 -60.1 -36.4 9.4 2.6 -2.9 110 113 A K H X5S+ 0 0 98 -4,-1.5 4,-1.1 4,-0.2 -2,-0.2 0.916 117.7 44.1 -73.4 -45.3 12.0 4.6 -4.8 111 114 A A H <5S+ 0 0 47 -4,-2.2 50,-0.2 2,-0.2 -2,-0.2 0.931 124.1 32.7 -69.3 -46.2 9.8 7.7 -5.3 112 115 A E H <5S+ 0 0 3 -4,-3.7 49,-2.7 1,-0.1 52,-0.2 0.961 135.7 20.0 -75.2 -48.3 8.4 7.8 -1.7 113 116 A L H <> - 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