==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 24-SEP-98 1GLL . COMPND 2 MOLECULE: GLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.E.BYSTROM,D.W.PETTIGREW,B.P.BRANCHAUD,S.J.REMINGTON . 988 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 762 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 86 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.9 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 3 5 2 2 8 0 2 2 0 0 0 0 1 2 1 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 6 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 PARALLEL BRIDGES PER LADDER . 7 4 4 4 3 2 5 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 . 3 1 2 0 2 2 1 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 2 Y E 0 0 222 0, 0.0 2,-0.6 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0-100.6 67.6 80.5 9.8 2 3 Y K + 0 0 97 1,-0.1 71,-0.2 72,-0.0 70,-0.2 -0.888 360.0 163.4-109.5 105.3 64.6 78.0 9.4 3 4 Y K + 0 0 100 -2,-0.6 19,-0.9 70,-0.1 2,-0.3 0.543 50.5 66.0 -97.7 -12.6 65.5 74.5 8.3 4 5 Y Y E -Ab 21 73A 31 68,-3.7 70,-5.3 17,-0.2 71,-0.4 -0.750 49.8-154.2-129.2 173.4 62.4 72.5 9.1 5 6 Y I E -A 20 0A 0 15,-1.6 15,-1.8 -2,-0.3 2,-0.6 -0.987 18.3-146.1-133.3 132.9 58.9 71.6 8.8 6 7 Y V E -Ab 19 76A 11 69,-2.5 71,-1.4 -2,-0.4 2,-0.2 -0.930 7.5-162.3-115.0 114.4 56.7 70.0 11.4 7 8 Y A E -A 18 0A 0 11,-1.8 11,-2.3 -2,-0.6 2,-0.5 -0.548 8.5-153.9 -82.9 140.7 53.9 67.6 10.5 8 9 Y L E -A 17 0A 11 69,-0.5 71,-3.5 -2,-0.2 2,-0.5 -0.988 8.8-170.2-124.6 128.5 51.2 67.0 13.1 9 10 Y D E -Ac 16 79A 20 7,-4.6 7,-2.1 -2,-0.5 2,-0.5 -0.757 8.4-174.8-132.9 103.3 49.4 63.9 13.1 10 11 Y Q E -Ac 15 80A 1 69,-2.6 71,-0.7 -2,-0.5 2,-0.2 -0.719 23.9-175.8 -89.7 119.3 46.3 63.3 15.2 11 12 Y G - 0 0 9 3,-1.1 -1,-0.0 -2,-0.5 4,-0.0 -0.632 44.0 -98.1-122.3 170.6 45.1 59.6 14.9 12 13 Y T S S+ 0 0 11 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.816 121.5 10.2 -52.8 -31.0 42.5 57.3 15.9 13 14 Y T S S+ 0 0 18 1,-0.3 21,-1.9 23,-0.1 2,-0.3 0.495 127.1 28.7-128.2 -17.6 44.8 56.0 18.8 14 15 Y S E - D 0 33A 17 19,-0.3 -3,-1.1 -5,-0.1 2,-0.3 -0.972 63.5-124.8-155.2 144.6 47.7 58.3 19.2 15 16 Y S E -AD 10 32A 0 17,-3.0 17,-0.8 -2,-0.3 2,-0.3 -0.651 34.8-169.3 -82.9 136.4 48.9 61.8 18.7 16 17 Y R E -AD 9 31A 41 -7,-2.1 -7,-4.6 -2,-0.3 2,-0.3 -0.998 15.0-169.9-131.7 146.1 52.0 62.1 16.5 17 18 Y A E -AD 8 30A 0 13,-1.5 13,-2.1 -2,-0.3 2,-0.4 -0.946 11.5-169.7-124.9 137.6 54.5 64.8 15.7 18 19 Y V E -AD 7 29A 3 -11,-2.3 -11,-1.8 -2,-0.3 2,-0.4 -0.997 8.1-156.1-135.1 140.3 57.1 64.6 13.0 19 20 Y V E +AD 6 28A 2 9,-3.0 8,-2.8 -2,-0.4 9,-1.3 -0.937 15.4 178.3-116.5 138.5 60.3 66.7 11.9 20 21 Y M E -AD 5 26A 7 -15,-1.8 -15,-1.6 -2,-0.4 6,-0.2 -0.998 21.5-130.3-146.3 145.4 61.9 66.9 8.6 21 22 Y D E > -A 4 0A 21 4,-1.4 3,-5.1 -2,-0.4 4,-0.4 -0.391 42.6 -97.1 -77.3 160.2 64.7 68.6 6.7 22 23 Y H T 3 S+ 0 0 80 -19,-0.9 -1,-0.1 1,-0.3 -18,-0.1 0.862 126.8 61.6 -53.8 -24.2 64.4 70.2 3.5 23 24 Y D T 3 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.634 122.8-112.4 -79.6 -0.7 65.7 67.1 1.9 24 25 Y A < + 0 0 9 -3,-5.1 2,-0.5 1,-0.2 -2,-0.2 0.979 63.3 151.2 75.3 62.4 62.6 65.7 3.4 25 26 Y N - 0 0 68 -4,-0.4 2,-1.6 412,-0.0 -4,-1.4 -0.976 55.9-106.1-130.6 136.5 64.0 63.5 5.9 26 27 Y I E +D 20 0A 82 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.409 36.2 178.3 -63.1 89.7 62.4 62.5 9.1 27 28 Y I E - 0 0 54 -8,-2.8 2,-0.3 -2,-1.6 -7,-0.2 0.974 62.1 -30.1 -56.4 -52.4 64.4 64.5 11.5 28 29 Y S E -D 19 0A 12 -9,-1.3 -9,-3.0 -3,-0.2 2,-0.3 -0.977 47.6-135.2-166.0 174.1 62.3 63.1 14.3 29 30 Y V E -D 18 0A 44 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.996 5.1-169.6-140.1 135.9 59.2 61.8 15.9 30 31 Y S E -D 17 0A 2 -13,-2.1 -13,-1.5 -2,-0.3 29,-0.1 -0.877 18.8-174.5-118.7 154.3 57.1 62.3 19.1 31 32 Y Q E +D 16 0A 94 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.2 -0.374 13.6 174.8-161.4 93.7 54.3 59.9 20.0 32 33 Y R E -D 15 0A 85 -17,-0.8 -17,-3.0 22,-0.4 2,-0.1 -0.813 19.9-142.4-116.7 125.8 51.7 59.7 22.6 33 34 Y E E -D 14 0A 104 -2,-0.6 2,-0.3 -19,-0.3 -19,-0.3 -0.432 15.8-162.6 -62.4 135.7 48.8 57.2 22.9 34 35 Y F - 0 0 2 -21,-1.9 2,-0.1 -2,-0.1 17,-0.0 -0.924 29.9 -85.5-128.5 150.7 45.3 58.3 24.2 35 36 Y E - 0 0 136 -2,-0.3 2,-1.2 1,-0.1 12,-0.3 -0.290 26.9-137.1 -64.9 129.1 42.4 56.1 25.6 36 37 Y Q - 0 0 30 -2,-0.1 2,-0.7 10,-0.1 10,-0.2 -0.675 22.0-149.6 -81.7 90.5 39.7 54.4 23.4 37 38 Y I B -H 45 0B 38 8,-2.0 8,-3.7 -2,-1.2 3,-0.2 -0.547 17.4-175.7 -74.9 119.4 36.5 55.0 25.1 38 39 Y Y + 0 0 53 -2,-0.7 6,-0.2 6,-0.3 -1,-0.1 -0.770 5.2 176.7-106.2 75.3 33.9 52.2 24.5 39 40 Y P S S- 0 0 58 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.901 74.3 -20.4 -48.2 -42.3 31.0 53.9 26.4 40 41 Y K S > S- 0 0 112 -3,-0.2 3,-3.1 3,-0.0 2,-0.1 -0.965 99.1 -56.8-162.7 159.2 28.9 50.8 25.2 41 42 Y P T 3 S+ 0 0 52 0, 0.0 3,-0.1 0, 0.0 304,-0.0 -0.234 127.6 16.6 -49.4 116.5 29.2 48.2 22.5 42 43 Y G T 3 S+ 0 0 2 1,-0.4 63,-2.6 302,-0.1 64,-0.4 0.146 109.2 111.5 98.2 -5.9 29.4 49.8 19.1 43 44 Y W < + 0 0 55 -3,-3.1 -1,-0.4 61,-0.2 2,-0.3 -0.749 40.5 173.4-108.2 144.9 30.3 53.0 20.8 44 45 Y V + 0 0 2 -2,-0.3 57,-2.1 -6,-0.2 60,-0.3 -0.878 2.0 165.2-150.8 119.4 33.5 54.9 20.8 45 46 Y E E -HI 37 100B 8 -8,-3.7 -8,-2.0 -2,-0.3 2,-0.3 -0.750 15.2-153.8-131.1 177.4 34.7 58.2 22.1 46 47 Y H E - I 0 99B 0 53,-1.2 53,-2.4 -2,-0.3 -10,-0.1 -0.944 29.5-105.8-136.0 165.2 37.7 60.1 22.8 47 48 Y D > - 0 0 57 -12,-0.3 4,-4.2 -2,-0.3 5,-0.2 -0.792 19.6-155.8-100.4 105.4 38.7 63.0 25.1 48 49 Y P H > S+ 0 0 2 0, 0.0 4,-4.0 0, 0.0 -1,-0.2 0.820 100.5 48.8 -42.0 -35.9 39.1 66.0 23.0 49 50 Y M H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.986 109.2 46.4 -67.9 -69.8 41.3 67.1 25.8 50 51 Y E H > S+ 0 0 68 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.787 117.9 48.1 -46.5 -25.3 43.3 63.9 26.0 51 52 Y I H X S+ 0 0 5 -4,-4.2 4,-2.8 2,-0.2 5,-0.3 0.969 114.6 44.8 -66.4 -71.1 43.4 64.4 22.3 52 53 Y W H X S+ 0 0 52 -4,-4.0 4,-1.5 2,-0.2 3,-0.3 0.835 117.6 42.7 -20.9 -80.7 44.4 67.9 22.7 53 54 Y A H >X S+ 0 0 37 -4,-1.9 3,-2.2 1,-0.3 4,-1.7 0.929 114.3 46.7 -39.8 -77.2 46.9 67.4 25.2 54 55 Y T H 3X S+ 0 0 7 -4,-1.1 4,-0.8 1,-0.3 -22,-0.4 0.771 115.9 49.1 -43.8 -34.0 48.6 64.3 23.9 55 56 Y Q H 3X S+ 0 0 7 -4,-2.8 4,-0.6 -3,-0.3 -1,-0.3 0.744 104.4 59.5 -80.4 -20.7 48.7 66.0 20.5 56 57 Y S H < S+ 0 0 120 -4,-1.7 3,-1.8 2,-0.2 4,-0.3 0.985 92.3 65.4 -58.4 -95.1 53.1 67.2 23.4 58 59 Y T H 3X S+ 0 0 0 -4,-0.8 4,-4.1 1,-0.3 5,-0.3 0.548 105.6 53.0 0.4 -73.7 54.5 65.1 20.8 59 60 Y L H 3X S+ 0 0 32 -4,-0.6 4,-3.6 1,-0.2 -1,-0.3 0.854 108.7 53.0 -28.8 -69.3 55.4 68.4 18.9 60 61 Y V H S+ 0 0 58 -4,-0.3 4,-2.9 -3,-0.2 5,-0.3 0.991 110.0 61.1 -66.8 -47.2 59.3 66.7 22.5 62 63 Y V H < S+ 0 0 1 -4,-4.1 6,-0.3 -5,-0.2 4,-0.2 0.918 113.9 40.5 -45.1 -46.2 59.8 66.2 18.9 63 64 Y L H >X>S+ 0 0 36 -4,-3.6 3,-3.8 -5,-0.3 4,-0.8 0.895 121.4 39.5 -49.6 -94.0 61.3 69.7 19.0 64 65 Y A H ><5S+ 0 0 57 -4,-1.0 3,-1.3 1,-0.3 -3,-0.2 0.670 109.6 60.4 -17.4 -56.9 63.2 69.4 22.3 65 66 Y K T 3<5S+ 0 0 107 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.464 117.3 32.6 -64.2 -1.4 64.3 65.8 21.6 66 67 Y A T <45S- 0 0 36 -3,-3.8 -1,-0.3 -5,-0.3 -2,-0.2 0.172 109.5-123.2-138.6 9.4 66.2 67.0 18.6 67 68 Y D T <<5 + 0 0 146 -3,-1.3 -3,-0.2 -4,-0.8 -4,-0.1 0.612 57.5 151.2 56.6 19.7 67.0 70.4 20.0 68 69 Y I < - 0 0 15 -5,-0.7 2,-0.4 -6,-0.3 -1,-0.2 -0.301 34.5-139.7 -72.4 160.5 65.3 72.3 17.2 69 70 Y S >> - 0 0 42 -3,-0.1 3,-3.6 -6,-0.1 4,-0.8 -0.962 24.5-109.3-130.5 144.7 63.9 75.7 17.9 70 71 Y S G >4 S+ 0 0 14 159,-0.4 3,-0.8 -2,-0.4 -1,-0.1 0.786 116.8 63.8 -28.4 -43.5 60.7 77.4 16.9 71 72 Y D G 34 S+ 0 0 84 1,-0.2 -1,-0.3 158,-0.1 3,-0.0 0.301 99.4 51.3 -71.4 3.5 63.0 79.7 14.8 72 73 Y Q G <4 S+ 0 0 52 -3,-3.6 -68,-3.7 -70,-0.2 2,-0.4 0.552 92.6 78.2-118.1 -16.1 64.2 76.9 12.5 73 74 Y I E << -b 4 0A 5 -3,-0.8 -68,-0.3 -4,-0.8 3,-0.1 -0.814 63.2-153.9-102.1 143.8 61.1 75.4 11.4 74 75 Y A E - 0 0 13 -70,-5.3 2,-0.2 -2,-0.4 -69,-0.2 0.958 58.1 -36.9 -72.6 -66.8 59.0 76.9 8.8 75 76 Y A E - 0 0 0 -71,-0.4 -69,-2.5 158,-0.2 2,-0.5 -0.785 55.5 -90.3-149.3-164.7 55.5 75.8 9.4 76 77 Y I E -be 6 235A 6 158,-0.8 160,-1.5 -2,-0.2 161,-0.8 -0.971 18.5-160.4-134.5 122.6 53.1 73.1 10.4 77 78 Y G - 0 0 0 -71,-1.4 -69,-0.5 -2,-0.5 2,-0.3 -0.531 16.9-152.1 -85.9 155.3 51.3 70.5 8.5 78 79 Y I + 0 0 2 -2,-0.2 161,-0.7 159,-0.2 2,-0.4 -0.950 17.3 171.2-139.5 119.9 48.2 68.9 10.1 79 80 Y T E +cf 9 239A 0 -71,-3.5 -69,-2.6 -2,-0.3 2,-0.3 -0.975 11.3 172.7-127.8 147.1 46.6 65.4 9.6 80 81 Y N E -cf 10 240A 0 159,-1.1 161,-4.4 -2,-0.4 162,-0.3 -0.925 39.8 -88.0-149.0 167.2 43.9 63.6 11.4 81 82 Y Q - 0 0 2 -71,-0.7 84,-0.2 -2,-0.3 83,-0.2 -0.430 53.6-131.7 -69.1 141.9 41.5 60.8 11.9 82 83 Y R S S+ 0 0 5 -2,-0.2 -1,-0.1 1,-0.1 -71,-0.0 0.588 73.9 29.5 -99.0 -5.0 38.5 61.7 9.9 83 84 Y E S S+ 0 0 2 52,-0.1 53,-0.2 2,-0.1 -1,-0.1 0.928 74.6 123.4-115.5 -20.5 35.2 61.5 11.0 84 85 Y T - 0 0 3 1,-0.1 80,-0.8 15,-0.1 2,-0.4 0.186 49.5-142.5 -34.3 127.7 35.3 62.2 14.6 85 86 Y T E -JK 100 163B 3 15,-2.0 15,-1.9 78,-0.2 2,-0.3 -0.879 17.7-176.4-111.0 140.6 33.3 65.0 15.8 86 87 Y I E - K 0 162B 6 76,-3.4 76,-3.4 -2,-0.4 2,-0.3 -0.959 5.9-179.5-136.2 153.0 33.6 67.7 18.3 87 88 Y V E + K 0 161B 9 10,-0.5 9,-2.2 -2,-0.3 10,-0.4 -0.954 14.9 178.2-155.5 126.4 31.7 70.5 19.7 88 89 Y W E -LK 95 160B 0 72,-1.7 72,-2.2 -2,-0.3 2,-0.2 -0.960 38.0-104.4-141.0 157.4 32.6 73.0 22.4 89 90 Y E E > - K 0 159B 29 5,-4.8 4,-1.0 -2,-0.4 5,-0.3 -0.410 35.3-163.4 -59.9 123.9 31.9 75.9 24.4 90 91 Y K T >4 S+ 0 0 60 68,-1.2 3,-0.6 -2,-0.2 -1,-0.2 0.917 81.6 47.1 -86.4 -76.0 33.8 78.7 23.0 91 92 Y E T 34 S+ 0 0 185 1,-0.3 -1,-0.1 67,-0.2 68,-0.0 0.775 128.7 32.7 -17.9 -69.5 34.0 81.5 25.5 92 93 Y T T 34 S- 0 0 80 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.811 104.2-138.9 -59.9 -37.9 35.0 78.7 27.9 93 94 Y G << + 0 0 13 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.663 55.6 135.1 83.9 19.0 36.8 76.7 25.1 94 95 Y K - 0 0 98 -5,-0.3 -5,-4.8 -4,-0.0 -1,-0.3 -0.822 56.6-118.5-116.1 143.6 35.3 73.5 26.4 95 96 Y P B -L 88 0B 24 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.391 7.7-158.4 -70.8 142.7 33.7 70.4 24.9 96 97 Y I S S+ 0 0 37 -9,-2.2 2,-0.2 1,-0.3 -8,-0.1 0.316 80.7 15.4-106.5 7.7 30.3 69.6 25.9 97 98 Y Y S S- 0 0 72 -10,-0.4 -10,-0.5 50,-0.0 -1,-0.3 -0.828 86.6 -95.4-179.1 136.1 30.8 66.0 24.9 98 99 Y N - 0 0 55 -2,-0.2 2,-0.3 1,-0.2 -51,-0.2 0.073 57.8 -80.4 -46.8 164.9 33.6 63.6 24.1 99 100 Y A E -I 46 0B 4 -53,-2.4 -53,-1.2 -13,-0.1 2,-0.6 -0.517 37.8-140.7 -75.7 132.8 34.6 63.0 20.6 100 101 Y I E -IJ 45 85B 1 -15,-1.9 -15,-2.0 -2,-0.3 2,-0.4 -0.790 23.1-135.2 -99.3 126.0 32.5 60.7 18.6 101 102 Y V > - 0 0 0 -57,-2.1 3,-3.2 -2,-0.6 -57,-0.1 -0.632 15.0-122.9 -85.3 140.6 34.6 58.7 16.5 102 103 Y W T 3 S+ 0 0 6 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.775 114.6 59.4 -42.4 -34.5 34.0 57.9 13.0 103 104 Y Q T 3 S+ 0 0 0 -59,-0.1 2,-0.4 200,-0.1 -1,-0.3 0.750 82.8 105.8 -72.0 -25.4 34.1 54.3 14.0 104 105 Y C < - 0 0 0 -3,-3.2 3,-0.4 -60,-0.3 -61,-0.2 -0.430 52.3-164.4 -66.0 124.2 31.2 54.7 16.5 105 106 Y R > + 0 0 10 -63,-2.6 3,-0.8 -2,-0.4 -62,-0.2 0.134 54.1 114.0 -89.3 17.2 27.9 53.3 15.4 106 107 Y R T 3 S+ 0 0 18 -64,-0.4 3,-0.3 1,-0.3 2,-0.2 0.801 71.2 59.0 -65.8 -24.0 25.6 55.1 18.0 107 108 Y T T 3> + 0 0 1 -3,-0.4 4,-1.0 1,-0.2 -1,-0.3 -0.182 66.5 112.7 -97.8 39.9 23.7 57.2 15.2 108 109 Y A H <> S+ 0 0 11 -3,-0.8 4,-2.6 -2,-0.2 -1,-0.2 0.949 70.2 58.9 -75.0 -50.4 22.3 54.3 13.2 109 110 Y E H >> S+ 0 0 147 -3,-0.3 4,-2.2 1,-0.3 3,-0.5 0.941 107.6 47.8 -32.4 -73.0 18.6 55.0 14.1 110 111 Y I H 3> S+ 0 0 22 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.885 107.3 54.8 -35.5 -56.6 18.9 58.4 12.7 111 112 Y C H 3X S+ 0 0 8 -4,-1.0 4,-3.0 1,-0.2 -1,-0.3 0.961 104.1 54.9 -48.0 -48.1 20.4 57.0 9.7 112 113 Y E H X S+ 0 0 78 -4,-2.2 3,-1.2 2,-0.2 4,-1.1 0.993 108.0 49.2 -55.1 -72.7 15.3 57.8 9.4 114 115 Y L H ><>S+ 0 0 15 -4,-2.1 5,-1.5 1,-0.3 3,-0.9 0.830 106.9 60.1 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