==== 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 16-APR-09 3H3N . COMPND 2 MOLECULE: GLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS CASSELIFLAVUS; . AUTHOR J.I.YEH,R.D.KETTERING . 1002 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 730 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 14.5 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 . 2 0.2 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 . 2 0.2 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 . 71 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.7 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 7 0 5 5 0 4 0 2 0 0 0 0 0 2 2 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 2 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 PARALLEL BRIDGES PER LADDER . 8 6 4 1 3 0 8 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 . 6 1 1 0 3 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 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 X A 0 0 102 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.0 -4.1 53.8 26.9 2 3 X E - 0 0 145 1,-0.1 2,-1.1 2,-0.0 73,-0.0 -0.549 360.0-144.1 -70.3 122.7 -2.4 52.4 30.0 3 4 X K + 0 0 93 -2,-0.4 71,-0.2 1,-0.1 70,-0.1 -0.761 39.8 149.6 -92.4 97.4 0.6 50.2 29.0 4 5 X N + 0 0 51 -2,-1.1 19,-0.7 69,-0.8 2,-0.3 0.241 53.8 53.4-113.0 13.5 0.7 47.3 31.4 5 6 X Y E -Ab 22 74A 55 68,-1.4 70,-3.7 17,-0.2 71,-0.6 -0.973 56.5-153.7-146.5 158.7 2.1 44.6 29.3 6 7 X V E -Ab 21 76A 0 15,-2.1 15,-2.8 -2,-0.3 2,-0.4 -0.976 15.8-143.2-131.0 145.0 5.1 43.7 27.1 7 8 X M E -Ab 20 77A 0 69,-2.2 71,-2.6 -2,-0.4 2,-0.4 -0.892 8.4-162.6-113.1 143.4 5.2 41.2 24.2 8 9 X A E -Ab 19 78A 0 11,-2.6 11,-2.4 -2,-0.4 2,-0.5 -0.976 2.8-159.9-122.9 134.3 8.1 39.0 23.3 9 10 X I E -Ab 18 79A 1 69,-2.5 71,-2.9 -2,-0.4 2,-0.6 -0.973 4.0-169.9-115.1 125.7 8.4 37.2 19.9 10 11 X D E -Ab 17 80A 34 7,-3.3 7,-1.9 -2,-0.5 2,-1.0 -0.923 2.8-167.0-118.7 103.7 10.7 34.2 19.7 11 12 X Q E -Ab 16 81A 0 69,-2.5 71,-2.2 -2,-0.6 5,-0.2 -0.787 22.8-175.1 -93.0 98.9 11.2 33.1 16.1 12 13 X G - 0 0 12 3,-1.9 70,-0.1 -2,-1.0 -1,-0.0 -0.098 38.1 -93.5 -89.2-173.0 12.9 29.7 16.4 13 14 X T S S+ 0 0 11 1,-0.2 3,-0.1 68,-0.1 22,-0.1 0.905 119.2 8.9 -68.8 -42.4 14.4 27.1 14.1 14 15 X T S S+ 0 0 24 1,-0.2 21,-1.1 20,-0.1 2,-0.3 0.448 133.5 21.7-120.2 -2.4 11.2 25.0 13.7 15 16 X S E - C 0 34A 21 19,-0.2 -3,-1.9 2,-0.0 2,-0.3 -0.982 62.4-134.7-157.7 162.6 8.5 27.1 15.3 16 17 X S E -AC 11 33A 0 17,-2.4 17,-2.3 -2,-0.3 2,-0.3 -0.872 21.6-171.8-118.9 154.0 7.7 30.7 16.3 17 18 X R E -AC 10 32A 57 -7,-1.9 -7,-3.3 -2,-0.3 2,-0.4 -0.998 11.2-163.7-148.8 147.5 6.2 31.8 19.6 18 19 X A E -AC 9 31A 0 13,-2.1 13,-1.8 -2,-0.3 2,-0.4 -0.998 10.5-175.2-132.6 137.9 4.8 35.0 21.1 19 20 X I E -AC 8 30A 1 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.5 -0.998 15.0-149.5-137.0 136.0 4.2 35.7 24.7 20 21 X I E -AC 7 29A 0 9,-2.6 8,-3.1 -2,-0.4 9,-1.2 -0.916 20.0-169.5-106.8 128.8 2.6 38.6 26.6 21 22 X F E -AC 6 27A 1 -15,-2.8 -15,-2.1 -2,-0.5 6,-0.2 -0.870 11.8-138.5-117.5 150.6 4.0 39.3 30.1 22 23 X D E > -A 5 0A 26 4,-1.8 3,-2.7 -2,-0.3 -17,-0.2 -0.422 45.3 -81.6 -97.6 178.7 2.7 41.6 32.8 23 24 X R T 3 S+ 0 0 100 -19,-0.7 -18,-0.1 1,-0.3 -1,-0.0 0.673 129.8 54.7 -54.1 -20.0 4.8 43.9 35.1 24 25 X N T 3 S- 0 0 129 2,-0.1 -1,-0.3 439,-0.0 3,-0.1 0.402 118.5-108.1 -95.8 2.2 5.5 40.9 37.3 25 26 X G S < S+ 0 0 15 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.631 71.3 145.5 81.8 13.4 6.9 38.8 34.5 26 27 X K - 0 0 138 -4,-0.1 -4,-1.8 1,-0.1 2,-0.4 -0.667 54.1-114.4 -87.3 139.2 3.9 36.5 34.6 27 28 X K E +C 21 0A 82 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.581 35.3 172.3 -75.2 124.9 2.7 35.0 31.3 28 29 X I E + 0 0 48 -8,-3.1 2,-0.3 -2,-0.4 -1,-0.2 0.743 68.3 2.5-101.2 -32.8 -0.8 36.3 30.4 29 30 X G E -C 20 0A 0 -9,-1.2 -9,-2.6 38,-0.1 -1,-0.4 -0.984 63.5-179.9-156.1 145.2 -1.1 34.8 26.9 30 31 X S E +C 19 0A 19 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.995 4.3 179.5-149.1 151.5 1.0 32.6 24.7 31 32 X S E -C 18 0A 31 -13,-1.8 -13,-2.1 -2,-0.3 2,-0.3 -0.988 3.8-172.3-152.9 142.9 0.9 31.0 21.2 32 33 X Q E +C 17 0A 119 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.995 4.8 177.1-139.2 143.8 3.2 28.8 19.2 33 34 X K E -C 16 0A 109 -17,-2.3 -17,-2.4 -2,-0.3 26,-0.1 -0.969 21.4-133.7-151.4 133.9 3.2 27.5 15.6 34 35 X E E -C 15 0A 134 -2,-0.3 -19,-0.2 -19,-0.3 -20,-0.1 -0.359 20.0-161.5 -79.5 161.3 5.5 25.4 13.4 35 36 X F - 0 0 11 -21,-1.1 17,-0.1 -2,-0.1 16,-0.0 -0.969 34.2 -70.7-140.2 155.8 6.5 26.4 9.9 36 37 X P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 12,-0.4 -0.094 36.4-155.4 -51.2 137.3 7.9 24.4 6.9 37 38 X Q - 0 0 44 10,-0.1 2,-0.4 -23,-0.0 10,-0.2 -0.949 11.4-154.6-113.2 133.4 11.5 23.1 6.8 38 39 X Y B -F 46 0B 76 8,-2.5 8,-2.5 -2,-0.4 0, 0.0 -0.921 17.3-178.8-116.7 135.3 13.1 22.5 3.4 39 40 X F + 0 0 138 -2,-0.4 6,-0.1 6,-0.2 5,-0.0 -0.651 9.9 167.7-129.0 74.2 15.9 20.0 2.7 40 41 X P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.760 72.0 9.6 -59.7 -27.0 16.6 20.4 -1.1 41 42 X K S > S- 0 0 125 3,-0.2 3,-3.0 0, 0.0 66,-0.1 -0.987 100.7 -74.0-151.6 153.0 19.9 18.4 -0.9 42 43 X S T 3 S+ 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.269 123.3 13.2 -52.3 122.1 21.6 16.3 1.8 43 44 X G T 3 S+ 0 0 27 1,-0.3 63,-2.3 62,-0.0 2,-0.3 0.230 101.5 117.9 95.9 -15.1 23.0 18.7 4.3 44 45 X W < - 0 0 51 -3,-3.0 2,-0.4 61,-0.2 -1,-0.3 -0.706 38.6-177.7 -89.6 137.0 21.0 21.7 3.0 45 46 X V + 0 0 11 -2,-0.3 57,-1.8 57,-0.2 2,-0.3 -0.989 8.3 169.4-136.5 123.7 18.5 23.4 5.3 46 47 X E E -FG 38 101B 21 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.3 -0.949 17.4-159.2-136.1 155.7 16.3 26.3 4.1 47 48 X H E - G 0 100B 0 53,-2.0 53,-3.2 -2,-0.3 2,-0.8 -0.948 26.7-120.4-128.6 150.0 13.3 28.3 5.3 48 49 X N >> - 0 0 45 -12,-0.4 4,-2.0 -2,-0.3 3,-0.5 -0.847 20.9-151.5 -90.9 114.7 10.8 30.4 3.3 49 50 X A H 3> S+ 0 0 1 -2,-0.8 4,-1.9 49,-0.3 -1,-0.2 0.770 95.5 54.0 -58.4 -28.3 11.2 33.9 4.9 50 51 X N H 3> S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.852 107.4 49.8 -75.3 -33.4 7.6 34.7 4.0 51 52 X E H <> S+ 0 0 56 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.851 108.9 52.9 -72.1 -33.1 6.3 31.6 5.8 52 53 X I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.946 108.8 50.3 -64.4 -45.4 8.4 32.6 8.8 53 54 X W H X S+ 0 0 18 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.916 109.9 50.1 -59.0 -43.5 6.7 36.0 8.7 54 55 X N H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.876 107.2 53.5 -64.9 -35.1 3.3 34.4 8.5 55 56 X S H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.859 109.8 49.2 -67.0 -32.6 4.0 32.1 11.5 56 57 X V H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.893 109.4 50.9 -72.4 -40.5 5.0 35.3 13.5 57 58 X Q H X S+ 0 0 53 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.907 110.8 51.7 -61.4 -40.0 1.7 37.0 12.4 58 59 X S H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 111.7 43.0 -64.2 -45.9 -0.1 33.9 13.6 59 60 X V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -41,-0.2 0.820 109.5 56.5 -74.3 -29.2 1.4 33.7 17.0 60 61 X I H X S+ 0 0 6 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.958 113.4 41.9 -63.6 -47.4 1.1 37.4 17.7 61 62 X A H X S+ 0 0 5 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.934 112.9 54.3 -63.2 -45.2 -2.6 37.1 17.0 62 63 X G H X S+ 0 0 17 -4,-2.6 4,-2.4 1,-0.2 -32,-0.2 0.868 107.0 50.7 -56.5 -39.7 -2.8 33.9 19.0 63 64 X A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.899 111.0 47.8 -67.0 -42.3 -1.2 35.5 22.1 64 65 X F H X>S+ 0 0 17 -4,-1.9 4,-2.7 1,-0.2 5,-0.5 0.920 111.6 51.8 -64.8 -41.6 -3.6 38.4 22.0 65 66 X I H <5S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.932 112.5 43.5 -62.0 -44.5 -6.5 35.9 21.6 66 67 X E H <5S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 119.7 43.3 -69.0 -34.6 -5.5 33.8 24.6 67 68 X S H <5S- 0 0 21 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.803 90.6-142.1 -80.7 -32.9 -4.7 36.8 26.8 68 69 X G T <5 + 0 0 66 -4,-2.7 2,-0.2 1,-0.3 -3,-0.1 0.667 53.1 142.3 76.4 15.1 -7.7 39.0 26.0 69 70 X I < - 0 0 28 -5,-0.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.621 52.1-120.9 -89.6 147.2 -5.4 42.0 26.1 70 71 X R > - 0 0 102 -2,-0.2 3,-2.0 1,-0.1 4,-0.1 -0.649 15.9-126.8 -87.6 145.5 -5.8 44.9 23.7 71 72 X P G > S+ 0 0 19 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.850 108.7 65.3 -58.4 -32.8 -2.8 45.8 21.5 72 73 X E G 3 S+ 0 0 71 1,-0.3 164,-0.1 161,-0.1 161,-0.0 0.554 92.6 63.8 -68.1 -5.6 -3.0 49.4 22.7 73 74 X A G < S+ 0 0 15 -3,-2.0 -68,-1.4 -70,-0.1 -69,-0.8 0.363 77.4 107.3 -98.1 2.8 -2.0 48.1 26.2 74 75 X I E < -b 5 0A 1 -3,-1.9 -68,-0.2 -71,-0.2 3,-0.1 -0.734 49.5-168.4 -86.9 124.3 1.4 46.9 25.0 75 76 X A E - 0 0 14 -70,-3.7 2,-0.3 -2,-0.5 -69,-0.2 0.769 66.6 -19.9 -81.2 -29.3 4.3 49.0 26.3 76 77 X G E -b 6 0A 0 -71,-0.6 -69,-2.2 161,-0.1 2,-0.4 -0.978 56.2-123.6-172.8 161.6 6.9 47.5 24.0 77 78 X I E -bd 7 239A 0 161,-2.1 163,-2.0 -2,-0.3 164,-1.1 -0.956 16.2-162.8-120.9 136.7 7.9 44.6 21.9 78 79 X G E -bd 8 241A 0 -71,-2.6 -69,-2.5 -2,-0.4 2,-0.4 -0.933 8.5-158.4-115.4 141.1 11.1 42.4 22.2 79 80 X I E +bd 9 242A 0 162,-2.6 164,-1.6 -2,-0.4 2,-0.3 -0.976 13.2 173.5-124.6 131.2 12.3 40.2 19.4 80 81 X T E +bd 10 243A 0 -71,-2.9 -69,-2.5 -2,-0.4 2,-0.3 -0.964 12.4 179.7-132.0 153.2 14.6 37.2 19.7 81 82 X N E -bd 11 244A 0 162,-1.0 164,-3.1 -2,-0.3 165,-0.3 -0.979 39.7 -83.4-154.3 162.8 15.5 34.7 16.9 82 83 X Q - 0 0 0 -71,-2.2 83,-0.5 -2,-0.3 84,-0.2 -0.450 62.7-126.6 -60.8 132.9 17.4 31.7 15.6 83 84 X R S S+ 0 0 2 1,-0.2 2,-2.8 -2,-0.1 20,-0.4 -0.257 74.6 17.8 -86.0 174.0 20.8 33.1 14.9 84 85 X E S S+ 0 0 2 101,-0.2 -1,-0.2 1,-0.1 17,-0.1 -0.067 79.9 133.6 63.2 -40.3 22.9 33.1 11.7 85 86 X T - 0 0 0 -2,-2.8 80,-0.5 1,-0.1 2,-0.4 -0.146 49.2-141.5 -42.6 129.5 20.0 32.2 9.4 86 87 X T B -H 101 0B 0 15,-2.5 15,-1.7 78,-0.2 2,-0.4 -0.856 24.4-178.2-114.5 133.9 20.2 34.5 6.4 87 88 X V E -I 163 0C 0 76,-2.6 76,-1.9 -2,-0.4 2,-0.4 -0.960 3.9-171.0-123.6 140.3 17.7 36.3 4.3 88 89 X V E +I 162 0C 3 -2,-0.4 9,-2.4 10,-0.3 10,-0.5 -0.999 19.8 168.9-129.0 127.6 18.4 38.5 1.3 89 90 X W E -IJ 161 96C 0 72,-2.5 72,-2.9 -2,-0.4 2,-0.5 -0.922 40.1 -97.0-140.1 165.1 15.5 40.6 -0.1 90 91 X D E > -I 160 0C 14 5,-2.1 4,-2.7 -2,-0.3 5,-0.2 -0.706 27.9-146.6 -82.8 125.0 14.7 43.3 -2.6 91 92 X K T 4 S+ 0 0 98 68,-2.0 -1,-0.1 -2,-0.5 69,-0.1 0.858 94.6 44.8 -60.4 -38.0 14.3 46.7 -0.7 92 93 X T T 4 S+ 0 0 123 67,-0.4 -1,-0.2 1,-0.1 68,-0.1 0.938 126.8 25.7 -74.9 -47.1 11.6 48.0 -3.0 93 94 X T T 4 S- 0 0 87 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.712 91.6-137.8 -89.3 -23.0 9.3 44.9 -3.3 94 95 X G < + 0 0 5 -4,-2.7 -3,-0.1 1,-0.3 82,-0.0 0.653 55.2 141.0 73.9 14.2 10.3 43.4 0.0 95 96 X Q - 0 0 104 -5,-0.2 -5,-2.1 1,-0.0 -1,-0.3 -0.785 56.1-119.9 -94.0 127.5 10.4 40.0 -1.7 96 97 X P B -J 89 0C 24 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.325 15.4-133.8 -59.8 147.9 13.2 37.6 -0.7 97 98 X I S S- 0 0 41 -9,-2.4 2,-0.3 1,-0.1 -8,-0.1 0.636 80.4 -27.6 -78.9 -12.4 15.4 36.6 -3.7 98 99 X A S S- 0 0 35 -10,-0.5 -10,-0.3 50,-0.1 -49,-0.3 -0.939 97.2 -41.7-177.7-175.7 15.2 33.0 -2.6 99 100 X N - 0 0 49 -2,-0.3 -51,-0.2 -51,-0.1 2,-0.2 -0.259 63.8-105.6 -63.8 154.6 14.7 30.8 0.5 100 101 X A E -G 47 0B 0 -53,-3.2 -53,-2.0 -13,-0.1 2,-0.6 -0.544 31.4-125.2 -77.0 150.0 16.5 31.9 3.7 101 102 X I E -GH 46 86B 0 -15,-1.7 -15,-2.5 -55,-0.2 -55,-0.2 -0.898 26.9-134.8-101.4 119.9 19.5 29.6 4.5 102 103 X V > - 0 0 0 -57,-1.8 3,-1.7 -2,-0.6 -57,-0.2 -0.320 18.8-114.0 -73.9 153.4 19.3 28.2 8.0 103 104 X W T 3 S+ 0 0 10 -20,-0.4 -1,-0.1 1,-0.3 -19,-0.1 0.805 116.9 60.7 -55.2 -28.0 22.1 28.1 10.5 104 105 X Q T 3 S+ 0 0 31 -91,-0.0 -1,-0.3 2,-0.0 -58,-0.1 0.702 82.6 108.2 -72.8 -21.8 21.9 24.3 10.2 105 106 X S < - 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0 0 3 -2,-0.3 4,-1.8 -78,-0.2 3,-0.2 -0.299 59.3 -84.1 -80.0-179.7 19.4 37.8 9.9 165 166 X I H > S+ 0 0 0 -80,-0.5 4,-2.4 -83,-0.5 5,-0.2 0.844 128.3 57.7 -60.8 -37.0 15.9 37.0 11.2 166 167 X D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 109.4 46.0 -57.7 -47.9 15.7 39.8 13.7 167 168 X S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 13,-0.2 0.874 111.1 52.9 -62.5 -39.9 16.4 42.4 10.9 168 169 X W H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.912 109.7 48.2 -63.3 -42.9 13.8 40.7 8.7 169 170 X L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.893 111.9 47.7 -67.1 -40.9 11.1 40.9 11.3 170 171 X V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 8,-0.3 0.871 109.3 54.7 -68.1 -35.2 11.7 44.5 12.2 171 172 X W H <>S+ 0 0 21 -4,-2.0 5,-2.9 -5,-0.2 6,-0.3 0.943 112.2 44.2 -62.7 -44.1 11.7 45.3 8.4 172 173 X K H ><5S+ 0 0 24 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.918 112.4 51.0 -65.2 -44.8 8.3 43.7 8.2 173 174 X L H 3<5S+ 0 0 3 -4,-2.7 55,-2.3 1,-0.3 -1,-0.2 0.813 118.2 38.2 -63.9 -31.1 6.9 45.3 11.4 174 175 X T T ><5S- 0 0 2 -4,-2.1 3,-1.5 53,-0.2 -1,-0.3 0.252 109.8-125.2-102.0 10.4 7.9 48.8 10.2 175 176 X D T < 5S- 0 0 60 -3,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.900 76.0 -40.8 43.1 54.8 7.0 47.9 6.6 176 177 X G T 3 -k 218 0D 0 -2,-0.3 4,-2.5 35,-0.2 37,-0.2 -0.542 32.3-102.7 -95.7 166.7 21.5 44.3 17.3 183 184 X Y H > S+ 0 0 50 35,-1.4 4,-2.1 1,-0.2 107,-0.2 0.854 117.4 53.8 -53.3 -43.1 25.1 43.6 18.4 184 185 X S H > S+ 0 0 0 58,-0.2 4,-0.6 2,-0.2 106,-0.3 0.942 112.9 40.5 -63.8 -47.8 24.5 40.0 19.4 185 186 X N H >4 S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.892 113.8 55.2 -67.8 -38.3 23.0 39.0 16.0 186 187 X A H ><>S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 5,-0.5 0.878 101.7 57.6 -62.7 -36.3 25.6 41.0 14.1 187 188 X S H 3<5S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.728 100.2 58.8 -68.2 -19.2 28.5 39.3 15.9 188 189 X R T <<5S+ 0 0 0 -3,-0.9 -51,-1.0 -4,-0.6 -1,-0.3 0.457 88.6 75.3 -87.9 -1.6 27.2 35.9 14.6 189 190 X T T < 5S- 0 0 0 -3,-1.5 -51,-2.5 -4,-0.3 -1,-0.2 0.738 91.1-135.5 -81.8 -22.8 27.5 36.9 10.9 190 191 X M T 5S+ 0 0 1 -3,-0.5 -3,-0.1 -4,-0.4 -62,-0.1 0.679 92.2 86.6 71.1 20.1 31.3 36.7 10.7 191 192 X L S > -L 198 0E 7 5,-3.0 5,-1.3 -2,-0.5 4,-1.2 -0.743 16.5-166.5 -82.7 112.6 34.3 43.3 13.9 194 195 X I T 45S+ 0 0 0 -67,-2.0 -1,-0.1 -2,-0.8 -66,-0.1 0.469 82.9 50.0 -80.3 -3.4 33.4 42.7 17.5 195 196 X H T 45S+ 0 0 100 -68,-0.5 -1,-0.2 3,-0.1 -67,-0.1 0.771 120.9 30.6-101.6 -36.8 36.3 44.7 18.9 196 197 X K T 45S- 0 0 140 -69,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.583 103.2-132.3 -94.2 -14.5 35.9 47.9 16.8 197 198 X L T <5 + 0 0 51 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.975 66.3 104.1 59.0 61.0 32.1 47.4 16.7 198 199 X E E - 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0 0 4 -9,-2.6 4,-2.3 1,-0.2 3,-0.3 -0.755 21.1-164.4 -89.8 112.0 -44.8 34.4 20.6 703 202 O Q H > S+ 0 0 106 -2,-0.8 4,-3.0 1,-0.2 5,-0.3 0.852 87.6 58.4 -60.0 -39.5 -45.9 35.5 24.1 704 203 O E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 110.9 42.1 -60.0 -41.0 -48.1 32.5 24.6 705 204 O I H > S+ 0 0 2 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.914 113.6 52.4 -72.3 -41.6 -45.1 30.2 24.1 706 205 O L H <>S+ 0 0 2 -4,-2.3 5,-2.7 1,-0.2 4,-0.4 0.912 112.4 45.5 -58.9 -43.6 -42.9 32.4 26.3 707 206 O D H ><5S+ 0 0 111 -4,-3.0 3,-0.8 3,-0.2 -1,-0.2 0.898 109.1 56.4 -66.8 -40.0 -45.5 32.3 29.1 708 207 O L H 3<5S+ 0 0 64 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.882 117.2 34.2 -59.1 -39.2 -45.9 28.6 28.7 709 208 O L T 3<5S- 0 0 12 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.364 108.5-123.5 -97.7 4.4 -42.2 28.1 29.2 710 209 O N T < 5 + 0 0 86 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.924 54.8 157.0 52.4 50.3 -41.9 30.9 31.7 711 210 O I < - 0 0 6 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.928 42.3-125.1-109.7 114.5 -39.2 32.6 29.6 712 211 O P > - 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