==== 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 TRANSFERASE 23-SEP-98 1BWF . 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) . 34754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 743 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 15.6 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 75 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 3.1 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 2 4 2 3 3 5 1 3 1 1 0 0 1 2 1 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 6 0 0 2 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 . 9 5 5 3 4 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 . 5 0 1 1 3 0 2 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 0 201 0, 0.0 2,-0.5 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 -84.0 67.4 80.1 10.3 2 3 Y K + 0 0 108 1,-0.1 71,-0.2 70,-0.1 70,-0.2 -0.909 360.0 152.8-127.8 98.4 64.3 77.8 9.3 3 4 Y K + 0 0 131 69,-1.0 19,-0.7 -2,-0.5 2,-0.3 0.555 53.3 56.0 -97.9 -22.6 65.4 74.4 8.1 4 5 Y Y E -Ab 21 73A 28 68,-4.3 70,-3.7 17,-0.2 2,-0.3 -0.762 50.0-154.3-128.6 175.3 62.4 72.3 9.1 5 6 Y I E -A 20 0A 0 15,-2.0 15,-2.7 -2,-0.3 2,-0.5 -0.986 15.6-145.4-144.1 140.1 58.9 71.4 9.1 6 7 Y V E -Ab 19 76A 7 69,-2.0 71,-2.2 -2,-0.3 2,-0.3 -0.938 5.5-155.5-111.1 127.3 56.7 69.5 11.4 7 8 Y A E -Ab 18 77A 0 11,-2.1 11,-2.1 -2,-0.5 2,-0.4 -0.685 10.4-149.4 -97.5 150.8 53.9 67.3 10.6 8 9 Y L E -Ab 17 78A 5 69,-0.8 71,-2.6 -2,-0.3 2,-0.3 -0.949 10.9-169.8-120.5 142.8 51.2 66.7 13.1 9 10 Y D E -Ab 16 79A 19 7,-2.5 7,-1.4 -2,-0.4 2,-1.0 -0.761 12.1-174.6-140.8 99.0 49.3 63.4 13.2 10 11 Y Q E -Ab 15 80A 2 69,-2.7 71,-1.0 -2,-0.3 5,-0.2 -0.795 25.2-173.4 -91.4 99.7 46.2 62.9 15.3 11 12 Y G - 0 0 13 3,-2.3 70,-0.1 -2,-1.0 -2,-0.0 -0.514 39.4-105.4 -96.7 159.1 45.5 59.1 14.8 12 13 Y T S S+ 0 0 8 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.842 120.1 19.7 -49.9 -36.6 42.7 57.0 15.9 13 14 Y T S S+ 0 0 19 1,-0.2 21,-1.6 23,-0.0 2,-0.3 0.456 128.1 22.0-115.6 -8.1 44.8 55.6 18.6 14 15 Y S B -F 33 0B 16 19,-0.3 -3,-2.3 21,-0.0 19,-0.3 -0.974 62.8-121.5-160.9 151.8 47.7 57.9 19.1 15 16 Y S E -A 10 0A 0 17,-3.0 2,-0.3 -2,-0.3 -5,-0.2 -0.619 36.1-169.1 -88.8 148.0 48.9 61.4 18.8 16 17 Y R E -A 9 0A 37 -7,-1.4 -7,-2.5 -2,-0.2 2,-0.4 -0.995 18.9-163.8-140.6 155.7 52.1 61.9 16.7 17 18 Y A E -AC 8 30A 0 13,-2.1 13,-0.8 -2,-0.3 2,-0.4 -0.994 13.0-172.2-130.6 129.8 54.7 64.5 15.9 18 19 Y V E -AC 7 29A 2 -11,-2.1 -11,-2.1 -2,-0.4 2,-0.4 -0.978 6.0-156.5-127.6 147.3 57.1 64.2 12.9 19 20 Y V E +AC 6 28A 2 9,-2.2 8,-5.5 -2,-0.4 9,-0.8 -0.971 15.8 173.8-125.5 136.5 60.2 66.4 11.9 20 21 Y M E -AC 5 26A 6 -15,-2.7 -15,-2.0 -2,-0.4 6,-0.2 -0.994 20.1-142.5-151.2 150.8 61.8 66.9 8.6 21 22 Y D E > -A 4 0A 24 4,-1.2 3,-4.2 -2,-0.3 4,-0.2 -0.319 48.1 -85.6 -87.4 175.2 64.4 68.7 6.4 22 23 Y H T 3 S+ 0 0 85 -19,-0.7 -18,-0.1 1,-0.3 -1,-0.0 0.738 131.0 54.4 -58.7 -22.3 64.5 69.9 3.0 23 24 Y D T 3 S- 0 0 118 2,-0.1 -1,-0.3 433,-0.0 3,-0.1 0.561 119.2-118.7 -89.9 1.0 65.5 66.6 1.8 24 25 Y A < + 0 0 8 -3,-4.2 2,-0.5 1,-0.3 -2,-0.2 0.901 54.3 164.7 66.8 45.3 62.5 65.5 3.6 25 26 Y N - 0 0 67 -4,-0.2 -4,-1.2 1,-0.0 2,-0.9 -0.762 43.9-121.3 -92.4 138.3 64.4 63.4 5.9 26 27 Y I E -C 20 0A 65 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.734 34.0-177.5 -85.5 113.1 62.4 62.5 8.8 27 28 Y I E - 0 0 64 -8,-5.5 2,-0.3 -2,-0.9 -1,-0.2 0.932 55.3 -8.3 -79.4 -51.9 64.4 63.8 11.6 28 29 Y S E -C 19 0A 17 -9,-0.8 -9,-2.2 -3,-0.2 2,-0.3 -0.995 50.2-151.3-153.8 159.6 62.5 62.8 14.6 29 30 Y V E -C 18 0A 45 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.2 -0.798 8.6-178.5-135.6 99.8 59.3 61.3 15.8 30 31 Y S E +C 17 0A 0 -13,-0.8 -13,-2.1 -2,-0.3 2,-0.1 -0.521 15.4 175.2 -86.6 160.6 57.5 61.9 19.1 31 32 Y Q - 0 0 97 -15,-0.2 2,-0.6 -2,-0.2 -15,-0.2 -0.396 15.2-172.5-170.4 94.0 54.3 59.9 19.7 32 33 Y R - 0 0 104 22,-0.5 -17,-3.0 -2,-0.1 26,-0.1 -0.811 19.7-137.7-105.0 123.5 51.9 59.5 22.7 33 34 Y E B -F 14 0B 100 -2,-0.6 2,-0.3 -19,-0.3 -19,-0.3 -0.274 18.4-155.8 -59.3 143.5 49.0 56.9 22.7 34 35 Y F - 0 0 5 -21,-1.6 2,-0.3 -2,-0.0 17,-0.0 -0.879 23.7 -86.3-130.6 161.0 45.5 57.8 24.1 35 36 Y E - 0 0 120 -2,-0.3 2,-0.5 1,-0.1 12,-0.4 -0.522 28.2-142.9 -76.2 126.8 42.6 55.9 25.5 36 37 Y Q - 0 0 26 -2,-0.3 2,-0.6 10,-0.1 10,-0.2 -0.726 17.4-154.1 -88.8 129.5 39.8 54.2 23.6 37 38 Y I B -G 45 0C 40 8,-2.2 8,-3.2 -2,-0.5 3,-0.2 -0.913 19.1-175.7-115.5 123.3 36.5 54.3 25.0 38 39 Y Y - 0 0 60 -2,-0.6 6,-0.2 6,-0.2 -2,-0.0 -0.791 2.9-179.4-109.8 81.3 33.7 52.0 24.5 39 40 Y P S S- 0 0 58 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.845 78.8 -18.0 -50.2 -30.0 30.9 53.6 26.4 40 41 Y K S > S- 0 0 110 3,-0.2 3,-3.0 -3,-0.2 822,-0.0 -0.972 97.8 -59.8-172.6 152.9 29.0 50.6 25.2 41 42 Y P T 3 S+ 0 0 58 0, 0.0 3,-0.1 0, 0.0 304,-0.1 -0.178 125.9 17.8 -46.8 119.0 29.3 47.9 22.5 42 43 Y G T 3 S+ 0 0 5 1,-0.4 63,-2.4 302,-0.3 2,-0.4 0.397 108.4 107.4 92.4 2.7 29.4 49.4 19.1 43 44 Y W < + 0 0 58 -3,-3.0 -1,-0.4 61,-0.2 2,-0.3 -0.902 44.1 179.8-112.7 142.3 30.2 52.7 20.7 44 45 Y V + 0 0 3 -2,-0.4 57,-1.9 -6,-0.2 2,-0.3 -0.973 5.6 166.6-144.3 124.8 33.6 54.4 20.5 45 46 Y E E -GH 37 100C 8 -8,-3.2 -8,-2.2 -2,-0.3 2,-0.3 -0.914 16.2-153.8-136.0 165.9 34.7 57.7 22.0 46 47 Y H E - H 0 99C 0 53,-1.6 53,-1.3 -2,-0.3 -10,-0.1 -0.886 29.4-106.7-127.3 164.2 37.8 59.7 22.7 47 48 Y D > - 0 0 51 -12,-0.4 4,-3.7 -2,-0.3 5,-0.1 -0.796 23.9-155.8 -96.9 107.5 38.8 62.3 25.2 48 49 Y P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.867 96.4 43.6 -42.8 -49.7 39.0 65.5 23.2 49 50 Y M H > S+ 0 0 79 2,-0.2 4,-4.8 1,-0.2 5,-0.3 0.979 111.5 51.6 -63.0 -56.2 41.4 66.9 25.7 50 51 Y E H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 113.5 48.8 -48.6 -32.9 43.3 63.7 26.0 51 52 Y I H X S+ 0 0 4 -4,-3.7 4,-1.4 2,-0.2 -2,-0.2 0.993 115.1 42.8 -61.4 -67.8 43.4 64.1 22.2 52 53 Y W H >X S+ 0 0 45 -4,-3.5 4,-2.2 1,-0.2 3,-1.0 0.862 116.8 46.5 -32.3 -67.6 44.5 67.5 22.5 53 54 Y A H >X S+ 0 0 30 -4,-4.8 4,-1.5 1,-0.3 3,-0.7 0.950 110.9 48.8 -49.4 -65.1 46.9 67.0 25.2 54 55 Y T H 3X S+ 0 0 13 -4,-1.9 4,-0.9 -5,-0.3 -22,-0.5 0.675 112.2 53.2 -56.0 -13.9 48.6 64.0 23.8 55 56 Y Q H S+ 0 0 118 -4,-1.5 4,-1.1 2,-0.2 5,-0.5 0.977 99.4 59.8 -79.5 -55.6 53.4 66.8 23.7 58 59 Y T H X5S+ 0 0 0 -4,-0.9 4,-4.1 1,-0.2 5,-0.2 0.884 103.8 60.1 -32.3 -55.2 54.5 64.9 20.6 59 60 Y L H X5S+ 0 0 38 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.831 115.8 29.9 -28.9 -73.0 55.0 68.5 19.4 60 61 Y V H X5S+ 0 0 73 -4,-1.1 4,-1.7 -3,-0.4 5,-0.6 0.998 113.5 58.8 -50.6 -81.0 57.5 69.3 22.1 61 62 Y E H X5S+ 0 0 80 -4,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.838 112.9 45.0 -23.6 -55.1 59.0 65.9 22.7 62 63 Y V H ><X>S+ 0 0 24 -4,-2.3 3,-2.7 1,-0.3 5,-1.7 0.925 118.2 51.0 -28.4 -73.9 61.3 69.6 19.0 64 65 Y A H ><5S+ 0 0 61 -4,-1.7 3,-0.7 1,-0.3 -1,-0.3 0.796 105.6 52.3 -40.0 -47.9 62.9 69.1 22.3 65 66 Y K T <<5S+ 0 0 101 -4,-2.6 -1,-0.3 -3,-0.6 -2,-0.2 0.330 111.7 48.5 -84.2 19.0 64.7 65.8 21.5 66 67 Y A T <45S- 0 0 24 -3,-2.7 -1,-0.2 -4,-0.4 -2,-0.2 0.449 105.4-122.6-125.5 -9.5 66.3 67.4 18.4 67 68 Y D T <<5 + 0 0 141 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.817 64.4 149.5 67.7 28.3 67.5 70.5 20.0 68 69 Y I < - 0 0 21 -5,-1.7 2,-0.4 -6,-0.2 -1,-0.3 -0.674 33.3-148.1 -92.4 152.1 65.4 72.1 17.4 69 70 Y S >> - 0 0 49 -2,-0.3 3,-3.8 -3,-0.1 4,-0.8 -0.950 31.4-100.3-129.0 151.7 63.8 75.4 18.1 70 71 Y S T 34 S+ 0 0 14 159,-0.4 3,-0.2 -2,-0.4 159,-0.1 0.662 119.4 58.4 -27.9 -32.2 60.7 77.3 17.1 71 72 Y D T 34 S+ 0 0 79 1,-0.2 -1,-0.3 158,-0.1 -67,-0.0 0.724 92.9 57.7 -80.5 -29.4 62.9 79.1 14.7 72 73 Y Q T <4 S+ 0 0 38 -3,-3.8 -68,-4.3 -70,-0.2 -69,-1.0 0.666 94.9 82.4 -85.8 -1.2 64.4 76.5 12.4 73 74 Y I E < -b 4 0A 6 -4,-0.8 -68,-0.2 -71,-0.2 3,-0.1 -0.796 56.6-169.7-106.3 133.3 61.0 75.4 11.5 74 75 Y A E - 0 0 7 -70,-3.7 2,-0.2 -2,-0.5 -1,-0.2 0.984 62.1 -5.1 -72.3 -72.3 59.0 77.0 8.8 75 76 Y A E - 0 0 0 -71,-0.3 -69,-2.0 158,-0.2 2,-0.5 -0.645 51.5-121.9-125.7 180.0 55.6 75.5 9.1 76 77 Y I E -bd 6 235A 10 158,-1.4 160,-0.9 -2,-0.2 161,-0.9 -0.991 22.1-162.9-125.9 115.6 53.2 73.1 10.6 77 78 Y G E -b 7 0A 0 -71,-2.2 -69,-0.8 -2,-0.5 2,-0.4 -0.603 13.8-146.9 -90.5 155.6 51.3 70.6 8.5 78 79 Y I E +b 8 0A 4 361,-0.4 161,-1.6 -2,-0.2 2,-0.3 -0.825 21.7 167.2-141.1 112.6 48.2 68.8 9.9 79 80 Y T E +be 9 239A 1 -71,-2.6 -69,-2.7 -2,-0.4 2,-0.3 -0.864 13.5 172.2-115.4 150.3 46.6 65.4 9.5 80 81 Y N E -be 10 240A 1 159,-1.5 161,-3.3 -2,-0.3 2,-0.2 -0.898 40.7 -78.4-148.0 176.1 44.0 63.7 11.5 81 82 Y Q - 0 0 1 -71,-1.0 83,-0.5 -2,-0.3 84,-0.2 -0.510 54.2-130.7 -76.2 134.5 41.6 60.9 11.9 82 83 Y R S S+ 0 0 4 -2,-0.2 -1,-0.1 1,-0.1 105,-0.1 0.581 75.4 23.6 -83.6 -12.4 38.8 61.5 9.7 83 84 Y E S S+ 0 0 1 52,-0.1 53,-0.3 2,-0.1 -1,-0.1 0.897 76.2 122.5-119.6 -20.2 35.3 61.4 10.9 84 85 Y T - 0 0 1 1,-0.1 80,-0.7 15,-0.1 2,-0.3 0.095 50.2-139.7 -32.4 130.0 35.3 62.0 14.5 85 86 Y T E -IJ 100 163C 2 15,-1.6 15,-1.6 78,-0.2 2,-0.4 -0.848 16.8-172.5-111.6 135.0 33.2 64.9 15.8 86 87 Y I E - J 0 162C 2 76,-2.3 76,-3.4 -2,-0.3 2,-0.4 -0.965 4.9-177.6-130.0 146.1 33.7 67.5 18.4 87 88 Y V E + J 0 161C 3 10,-0.6 9,-2.7 -2,-0.4 2,-0.3 -0.950 16.2 176.0-142.7 117.9 31.6 70.1 19.9 88 89 Y W E -KJ 95 160C 0 72,-2.0 72,-3.1 -2,-0.4 2,-0.2 -0.884 38.3-103.6-130.9 164.2 32.6 72.6 22.4 89 90 Y E E > -KJ 94 159C 38 5,-3.2 5,-0.9 -2,-0.3 4,-0.5 -0.491 35.1-160.8 -67.5 134.1 31.8 75.5 24.5 90 91 Y K T 5S+ 0 0 83 68,-1.3 -1,-0.1 3,-0.2 69,-0.1 0.806 83.6 46.6 -96.8 -40.6 33.6 78.6 22.9 91 92 Y E T 5S+ 0 0 167 67,-0.4 68,-0.0 1,-0.2 -2,-0.0 0.996 130.0 30.8 -58.3 -54.7 33.8 81.2 25.4 92 93 Y T T 5S- 0 0 76 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.714 100.0-137.3 -71.0 -30.3 35.0 78.5 27.6 93 94 Y G T 5 + 0 0 11 -4,-0.5 -3,-0.2 1,-0.2 -1,-0.0 0.879 55.2 133.1 70.9 39.9 36.8 76.3 25.0 94 95 Y K E < -K 89 0C 99 -5,-0.9 -5,-3.2 -46,-0.0 -1,-0.2 -0.948 59.8-110.0-139.0 133.8 35.5 73.0 26.4 95 96 Y P E -K 88 0C 20 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.123 12.7-159.5 -50.1 138.9 33.9 69.9 25.0 96 97 Y I S S+ 0 0 27 -9,-2.7 2,-0.2 1,-0.4 -8,-0.1 0.164 81.4 7.9-103.6 11.9 30.3 69.5 25.8 97 98 Y Y S S- 0 0 70 -10,-0.3 -10,-0.6 50,-0.0 -1,-0.4 -0.710 90.7 -85.5 170.8 140.1 30.7 65.8 25.0 98 99 Y N - 0 0 51 -2,-0.2 -51,-0.2 1,-0.2 -13,-0.1 -0.023 57.4 -87.6 -51.3 147.3 33.4 63.3 24.2 99 100 Y A E -H 46 0C 2 -53,-1.3 -53,-1.6 1,-0.1 2,-0.7 -0.344 36.7-139.1 -60.8 136.7 34.6 62.9 20.6 100 101 Y I E -HI 45 85C 0 -15,-1.6 -15,-1.6 -55,-0.2 -55,-0.2 -0.860 22.2-135.4-101.3 122.9 32.6 60.5 18.7 101 102 Y V > - 0 0 0 -57,-1.9 3,-0.8 -2,-0.7 -57,-0.2 -0.379 14.6-116.8 -78.1 153.5 34.8 58.4 16.6 102 103 Y W T 3 S+ 0 0 6 1,-0.3 -1,-0.1 -2,-0.1 201,-0.0 0.891 114.6 54.0 -52.6 -43.9 34.2 57.6 13.1 103 104 Y Q T 3 S+ 0 0 0 200,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.825 83.4 113.4 -65.7 -25.9 34.0 53.9 13.8 104 105 Y C < - 0 0 0 -3,-0.8 3,-0.4 -60,-0.2 -61,-0.2 -0.181 49.9-165.6 -51.7 124.3 31.4 54.5 16.4 105 106 Y R > + 0 0 8 -63,-2.4 3,-1.2 1,-0.2 -62,-0.2 0.246 53.2 112.1 -95.9 15.5 28.0 53.1 15.4 106 107 Y R T 3 + 0 0 18 -64,-0.3 3,-0.5 1,-0.2 4,-0.2 0.781 68.7 66.1 -61.7 -24.9 25.6 54.8 17.9 107 108 Y T T 3> + 0 0 1 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.116 65.8 110.8 -82.3 17.1 23.8 56.9 15.1 108 109 Y A H <> + 0 0 14 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.957 69.7 54.7 -57.4 -54.2 22.3 54.0 13.5 109 110 Y E H >> S+ 0 0 143 -3,-0.5 4,-1.7 1,-0.2 3,-1.3 0.958 113.1 45.0 -42.2 -64.1 18.6 54.7 14.4 110 111 Y I H 3> S+ 0 0 23 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.916 105.0 58.9 -34.4 -69.0 18.9 58.1 12.9 111 112 Y C H 3X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.3 -1,-0.3 0.857 103.1 55.6 -38.1 -41.5 20.5 56.9 10.0 112 113 Y E H < S+ 0 0 90 -4,-1.7 3,-0.7 -3,-0.4 -2,-0.2 0.975 107.3 51.7 -49.7 -58.3 15.1 57.7 9.5 114 115 Y L H ><>S+ 0 0 11 -4,-2.0 3,-1.5 1,-0.2 5,-1.1 0.900 103.4 61.7 -41.9 -54.1 17.1 59.4 6.9 115 116 Y K H ><5S+ 0 0 82 -4,-2.3 3,-1.0 1,-0.3 2,-0.4 0.847 102.4 47.7 -41.2 -52.9 16.9 56.2 4.8 116 117 Y R T <<5S+ 0 0 155 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.1 -0.101 96.7 70.1 -94.1 46.0 13.1 56.2 4.4 117 118 Y D T < 5S- 0 0 100 -3,-1.5 -1,-0.2 -2,-0.4 -2,-0.2 -0.022 113.7-110.7-133.3 14.3 12.8 59.9 3.5 118 119 Y G T < 5S+ 0 0 64 -3,-1.0 3,-0.5 1,-0.1 4,-0.4 0.702 76.1 136.6 60.0 28.0 14.4 59.0 0.1 119 120 Y L >< + 0 0 11 -5,-1.1 4,-2.0 1,-0.2 5,-0.3 0.640 35.4 97.6 -80.3 -10.9 17.6 60.9 0.9 120 121 Y E H > S+ 0 0 68 -5,-0.4 4,-3.6 1,-0.2 5,-0.3 0.905 86.0 45.4 -45.7 -51.5 20.0 58.3 -0.3 121 122 Y D H > S+ 0 0 100 -3,-0.5 4,-3.8 1,-0.2 5,-0.3 0.939 108.3 52.5 -63.9 -45.1 20.5 60.1 -3.7 122 123 Y Y H >>S+ 0 0 63 -4,-0.4 4,-2.8 2,-0.2 5,-0.5 0.887 116.8 41.5 -54.6 -39.4 20.9 63.5 -2.5 123 124 Y I H X>S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-1.8 0.950 117.1 46.9 -69.1 -52.2 23.6 62.3 -0.2 124 125 Y R H <5S+ 0 0 50 -4,-3.6 -2,-0.2 -5,-0.3 -3,-0.2 0.851 121.2 41.1 -57.9 -32.7 25.0 60.1 -2.7 125 126 Y S H <5S+ 0 0 48 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.785 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