==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-MAY-08 3D7E . COMPND 2 MOLECULE: GLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS CASSELIFLAVUS; . AUTHOR J.I.YEH,A.VAHEDI-FARIDI . 990 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 741 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 15.1 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 . 3 0.3 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 . 79 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.9 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 2 4 2 4 6 0 4 0 2 0 0 0 0 0 2 2 0 0 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 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 2 3 2 6 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 . 4 2 2 1 3 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 5 O N 0 0 124 0, 0.0 19,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -10.0 58.8 45.2 2.7 2 6 O Y E -Ab 19 71A 49 68,-1.7 70,-4.2 17,-0.2 71,-0.6 -0.929 360.0-145.1-143.5 165.1 59.9 42.2 0.5 3 7 O V E -Ab 18 73A 0 15,-2.1 15,-3.1 -2,-0.3 2,-0.5 -0.983 19.5-145.3-130.6 131.2 62.6 40.8 -1.7 4 8 O M E -Ab 17 74A 0 69,-2.2 71,-2.9 -2,-0.4 2,-0.4 -0.904 10.0-161.5 -96.3 133.4 61.8 38.7 -4.7 5 9 O A E -Ab 16 75A 0 11,-3.2 11,-2.6 -2,-0.5 2,-0.6 -0.948 2.8-158.0-110.0 137.6 64.1 35.8 -5.8 6 10 O I E -Ab 15 76A 0 69,-2.9 71,-3.0 -2,-0.4 2,-0.6 -0.970 5.9-170.6-112.3 123.7 64.0 34.2 -9.2 7 11 O D E -Ab 14 77A 9 7,-3.5 7,-2.5 -2,-0.6 2,-1.0 -0.938 3.5-166.4-117.2 105.3 65.4 30.8 -9.4 8 12 O Q E -Ab 13 78A 0 69,-2.9 71,-2.8 -2,-0.6 5,-0.2 -0.808 21.9-172.0-102.5 97.1 65.7 29.7 -13.1 9 13 O G - 0 0 12 3,-2.2 70,-0.1 -2,-1.0 68,-0.0 -0.070 36.8-100.2 -90.5-176.0 66.3 26.0 -12.7 10 14 O T S S+ 0 0 13 1,-0.2 3,-0.1 68,-0.1 -1,-0.1 0.841 119.4 14.2 -77.6 -36.1 67.2 23.2 -15.2 11 15 O T S S+ 0 0 35 1,-0.3 21,-1.4 20,-0.1 2,-0.3 0.543 133.8 18.6-114.5 -14.7 63.6 21.9 -15.6 12 16 O S E - C 0 31A 12 19,-0.2 -3,-2.2 2,-0.0 2,-0.4 -0.987 61.2-133.9-152.4 163.5 61.6 24.7 -14.0 13 17 O S E -AC 8 30A 0 17,-2.6 17,-2.5 -2,-0.3 2,-0.3 -0.932 21.6-174.1-117.7 150.3 61.6 28.3 -12.9 14 18 O R E -AC 7 29A 77 -7,-2.5 -7,-3.5 -2,-0.4 2,-0.4 -0.990 14.9-160.2-141.1 150.8 60.4 29.7 -9.7 15 19 O A E -AC 6 28A 0 13,-2.2 13,-1.7 -2,-0.3 2,-0.4 -0.983 15.2-171.6-125.4 140.8 59.9 33.1 -8.2 16 20 O I E -AC 5 27A 7 -11,-2.6 -11,-3.2 -2,-0.4 2,-0.6 -0.985 13.9-149.4-137.3 131.4 59.7 33.5 -4.3 17 21 O I E -AC 4 26A 0 9,-3.0 8,-3.3 -2,-0.4 9,-1.5 -0.949 19.9-170.0-105.5 121.8 58.7 36.6 -2.3 18 22 O F E -AC 3 24A 0 -15,-3.1 -15,-2.1 -2,-0.6 6,-0.2 -0.876 10.0-142.4-113.2 145.2 60.4 36.7 1.0 19 23 O D E > -A 2 0A 27 4,-2.3 3,-2.2 -2,-0.3 -17,-0.2 -0.276 42.5 -80.1 -91.3-174.8 59.7 39.1 3.9 20 24 O R T 3 S+ 0 0 119 -19,-0.5 -18,-0.1 1,-0.3 -1,-0.0 0.754 129.2 56.2 -59.7 -23.1 62.3 40.8 6.5 21 25 O N T 3 S- 0 0 109 2,-0.1 -1,-0.3 438,-0.0 3,-0.1 0.414 119.3-109.0 -88.0 2.0 62.4 37.6 8.5 22 26 O G S < S+ 0 0 8 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.728 72.3 140.6 79.4 15.4 63.4 35.5 5.6 23 27 O K - 0 0 109 1,-0.0 -4,-2.3 2,-0.0 2,-0.4 -0.777 58.1-109.2-101.2 150.7 60.1 33.8 5.3 24 28 O K E +C 18 0A 115 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.500 39.5 165.4 -74.5 117.9 58.2 32.8 2.2 25 29 O I E + 0 0 53 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.688 67.6 5.9-109.1 -22.1 55.2 34.9 1.7 26 30 O G E +C 17 0A 9 -9,-1.5 -9,-3.0 39,-0.0 -1,-0.4 -0.986 63.8 166.6-157.8 152.9 54.5 34.1 -2.0 27 31 O S E -C 16 0A 48 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.980 11.3-172.7-165.8 158.7 55.7 31.8 -4.7 28 32 O S E -C 15 0A 36 -13,-1.7 -13,-2.2 -2,-0.3 2,-0.3 -0.928 8.2-162.4-154.5 147.5 55.0 30.3 -8.2 29 33 O Q E -C 14 0A 102 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.964 6.4-178.3-138.3 140.6 56.7 27.6 -10.2 30 34 O K E -C 13 0A 104 -17,-2.5 -17,-2.6 -2,-0.3 26,-0.1 -0.955 17.7-141.6-145.3 125.2 56.5 26.7 -13.9 31 35 O E E -C 12 0A 136 -2,-0.3 -19,-0.2 -19,-0.3 -20,-0.1 -0.378 20.2-162.6 -72.1 157.8 58.1 23.9 -16.0 32 36 O F - 0 0 17 -21,-1.4 2,-0.1 -2,-0.1 17,-0.1 -0.925 31.6 -71.4-141.6 166.8 59.4 24.7 -19.4 33 37 O P - 0 0 58 0, 0.0 12,-0.5 0, 0.0 2,-0.4 -0.342 34.9-156.4 -71.0 141.0 60.3 22.5 -22.4 34 38 O Q E -F 44 0B 38 10,-0.1 2,-0.4 -2,-0.1 10,-0.2 -0.854 11.5-156.7-107.2 135.5 63.4 20.3 -22.5 35 39 O Y E -F 43 0B 77 8,-1.9 8,-3.1 -2,-0.4 3,-0.1 -0.993 17.8-179.7-125.7 134.1 64.7 19.3 -26.0 36 40 O F + 0 0 94 -2,-0.4 6,-0.1 6,-0.2 3,-0.1 -0.805 8.5 170.2-126.9 79.8 66.9 16.3 -26.8 37 41 O P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.873 74.2 6.5 -68.5 -29.6 67.5 16.6 -30.6 38 42 O K S > S- 0 0 131 3,-0.1 3,-2.4 -3,-0.1 2,-0.1 -0.894 100.7 -76.9-144.0 158.5 70.2 13.8 -30.5 39 43 O S T 3 S+ 0 0 88 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.418 122.0 20.9 -55.0 124.9 71.4 11.4 -27.8 40 44 O G T 3 S+ 0 0 26 1,-0.3 63,-2.9 -2,-0.1 2,-0.5 0.255 101.0 113.9 96.9 -12.0 73.6 13.4 -25.4 41 45 O W < + 0 0 53 -3,-2.4 2,-0.4 61,-0.2 -1,-0.3 -0.803 39.7 179.2 -97.5 143.1 72.2 16.7 -26.5 42 46 O V + 0 0 0 -2,-0.5 57,-2.1 57,-0.2 60,-0.4 -0.986 9.7 168.3-134.8 121.3 70.2 18.9 -24.1 43 47 O E E -FG 35 98B 20 -8,-3.1 -8,-1.9 -2,-0.4 2,-0.3 -0.947 17.8-163.2-130.3 155.5 68.7 22.2 -25.2 44 48 O H E -FG 34 97B 0 53,-1.8 53,-3.1 -2,-0.3 2,-0.7 -0.947 28.1-119.4-123.2 159.0 66.3 24.8 -23.9 45 49 O N >> - 0 0 42 -12,-0.5 4,-2.8 -2,-0.3 3,-0.6 -0.864 19.9-150.6 -94.1 117.9 64.6 27.6 -25.8 46 50 O A H 3> S+ 0 0 0 -2,-0.7 4,-3.1 49,-0.3 -1,-0.2 0.844 95.7 55.7 -62.2 -29.7 65.8 30.8 -24.1 47 51 O N H 3> S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.871 107.5 47.7 -67.0 -40.7 62.5 32.6 -25.0 48 52 O E H <> S+ 0 0 57 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.898 112.0 51.4 -68.1 -37.7 60.5 29.8 -23.3 49 53 O I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.962 110.0 48.8 -54.4 -53.3 62.8 30.2 -20.3 50 54 O W H X S+ 0 0 20 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.936 111.5 48.2 -56.9 -49.1 62.2 33.9 -20.3 51 55 O N H X S+ 0 0 81 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.920 109.0 55.2 -57.3 -38.9 58.2 33.4 -20.5 52 56 O S H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.938 109.8 46.8 -60.2 -41.6 58.5 30.8 -17.6 53 57 O V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.926 111.8 49.2 -67.2 -48.3 60.2 33.5 -15.6 54 58 O Q H X S+ 0 0 42 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.906 110.9 53.1 -52.0 -45.2 57.6 36.1 -16.6 55 59 O S H X S+ 0 0 46 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.862 110.2 43.7 -58.3 -47.4 54.9 33.7 -15.6 56 60 O V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -41,-0.2 0.811 111.4 54.1 -76.0 -27.2 56.2 32.9 -12.1 57 61 O I H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.953 114.6 41.5 -62.1 -54.4 56.9 36.6 -11.3 58 62 O A H X S+ 0 0 26 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.929 114.7 53.5 -62.5 -41.1 53.4 37.4 -12.2 59 63 O G H X S+ 0 0 12 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.884 106.3 49.6 -58.2 -42.2 52.2 34.3 -10.4 60 64 O A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 6,-0.4 0.918 115.4 44.4 -71.6 -33.0 53.9 35.1 -7.1 61 65 O F H X S+ 0 0 7 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.914 115.0 49.2 -67.7 -51.6 52.4 38.6 -7.2 62 66 O I H < S+ 0 0 99 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.928 116.7 40.5 -56.3 -53.2 48.9 37.3 -8.2 63 67 O E H < S+ 0 0 158 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.818 121.7 41.2 -69.7 -30.0 48.8 34.6 -5.5 64 68 O S H < S- 0 0 34 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.789 96.6-132.4 -89.6 -28.2 50.4 36.7 -2.7 65 69 O G < + 0 0 47 -4,-2.7 -3,-0.1 1,-0.4 -4,-0.1 0.311 63.5 133.7 89.5 -6.4 48.5 40.0 -3.4 66 70 O I - 0 0 23 -6,-0.4 -1,-0.4 -5,-0.3 -2,-0.2 -0.464 44.4-148.1 -81.1 144.5 51.8 41.8 -3.2 67 71 O R > - 0 0 136 -3,-0.1 3,-1.9 -2,-0.1 4,-0.2 -0.820 25.4-103.6-109.1 161.7 52.6 44.3 -5.9 68 72 O P G > S+ 0 0 18 0, 0.0 3,-1.6 0, 0.0 163,-0.1 0.734 113.4 66.0 -46.4 -32.6 56.0 45.4 -7.6 69 73 O E G 3 S+ 0 0 157 1,-0.3 164,-0.0 163,-0.1 -3,-0.0 0.758 97.0 58.4 -76.0 -16.1 56.2 48.7 -5.7 70 74 O A G < S+ 0 0 36 -3,-1.9 -68,-1.7 -69,-0.1 2,-0.6 0.387 83.1 101.8 -83.9 3.9 56.6 46.7 -2.4 71 75 O I E < -b 2 0A 12 -3,-1.6 -68,-0.2 1,-0.2 3,-0.1 -0.772 51.9-167.1 -99.1 125.5 59.7 44.9 -3.6 72 76 O A E - 0 0 31 -70,-4.2 2,-0.3 -2,-0.6 -69,-0.2 0.790 69.5 -24.7 -76.5 -33.1 63.1 46.2 -2.3 73 77 O G E -b 3 0A 0 -71,-0.6 -69,-2.2 161,-0.1 2,-0.4 -0.955 56.9-122.1-166.8 166.0 65.2 44.2 -4.7 74 78 O I E -bd 4 236A 0 161,-2.0 163,-2.5 -2,-0.3 164,-1.0 -0.947 17.1-158.0-118.7 128.1 65.3 41.1 -6.9 75 79 O G E -bd 5 238A 0 -71,-2.9 -69,-2.9 -2,-0.4 2,-0.4 -0.891 10.4-155.8 -98.8 151.3 67.8 38.3 -6.6 76 80 O I E +bd 6 239A 0 162,-1.8 164,-1.5 -2,-0.4 2,-0.3 -0.965 15.7 171.0-128.7 132.5 68.4 36.1 -9.6 77 81 O T E +bd 7 240A 0 -71,-3.0 -69,-2.9 -2,-0.4 2,-0.3 -0.941 10.4 173.1-144.8 161.2 69.8 32.6 -9.6 78 82 O N E -bd 8 241A 0 162,-0.6 164,-2.7 -2,-0.3 165,-0.3 -0.998 42.9 -77.6-168.6 143.4 70.1 30.0 -12.3 79 83 O Q - 0 0 0 -71,-2.8 83,-0.5 -2,-0.3 84,-0.2 -0.325 62.1-129.2 -47.8 132.4 71.2 26.7 -13.7 80 84 O R S S+ 0 0 3 1,-0.1 2,-2.7 81,-0.1 20,-0.4 -0.442 75.4 20.4 -90.6 171.6 74.9 27.4 -14.5 81 85 O E S S+ 0 0 2 101,-0.2 -1,-0.1 1,-0.2 17,-0.1 -0.213 80.9 133.2 66.9 -40.9 77.0 26.9 -17.7 82 86 O T - 0 0 0 -2,-2.7 80,-0.6 1,-0.1 2,-0.5 -0.082 50.2-142.0 -43.8 130.9 73.8 26.8 -19.8 83 87 O T E -HI 98 161B 0 15,-2.5 15,-2.0 78,-0.2 2,-0.4 -0.899 22.5-174.7-122.3 128.3 74.6 29.1 -22.8 84 88 O V E - I 0 160B 0 76,-2.9 76,-2.3 -2,-0.5 2,-0.4 -0.912 2.5-171.4-116.0 137.7 72.5 31.6 -24.7 85 89 O V E + I 0 159B 3 -2,-0.4 9,-2.4 10,-0.3 10,-0.6 -0.994 18.8 170.5-123.7 130.5 73.7 33.5 -27.8 86 90 O W E -JI 93 158B 0 72,-2.1 72,-3.2 -2,-0.4 2,-0.5 -0.958 40.2-102.8-140.8 150.9 71.3 36.3 -29.0 87 91 O D E > - I 0 157B 17 5,-3.3 4,-2.3 -2,-0.3 70,-0.2 -0.594 29.8-142.3 -72.2 125.6 71.2 39.2 -31.5 88 92 O K T 4 S+ 0 0 109 68,-2.7 -1,-0.1 -2,-0.5 69,-0.1 0.840 94.5 43.9 -62.8 -27.4 71.7 42.4 -29.5 89 93 O T T 4 S+ 0 0 123 67,-0.4 -1,-0.2 1,-0.1 68,-0.1 0.897 124.5 28.3 -93.0 -40.1 69.2 44.4 -31.6 90 94 O T T 4 S- 0 0 84 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.668 95.0-137.0 -90.9 -16.5 66.3 42.1 -32.0 91 95 O G < + 0 0 3 -4,-2.3 -3,-0.1 1,-0.3 82,-0.0 0.567 56.0 138.8 68.4 14.0 67.0 40.3 -28.7 92 96 O Q - 0 0 90 -5,-0.2 -5,-3.3 1,-0.1 -1,-0.3 -0.761 57.9-117.8 -91.3 131.8 66.4 37.0 -30.3 93 97 O P B -J 86 0B 24 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.374 18.4-133.5 -54.8 145.2 68.6 33.9 -29.5 94 98 O I S S- 0 0 38 -9,-2.4 2,-0.2 1,-0.1 -8,-0.1 0.666 82.0 -20.7 -79.0 -11.3 70.3 32.7 -32.7 95 99 O A S S- 0 0 38 -10,-0.6 -10,-0.3 50,-0.1 -49,-0.3 -0.928 99.2 -44.0-173.0-176.7 69.3 29.2 -31.7 96 100 O N - 0 0 42 -2,-0.2 -51,-0.3 -51,-0.1 2,-0.1 -0.299 64.7-105.0 -59.1 144.9 68.2 27.0 -28.6 97 101 O A E -G 44 0B 1 -53,-3.1 -53,-1.8 -13,-0.1 2,-0.5 -0.484 32.6-127.2 -61.0 150.4 70.2 27.6 -25.4 98 102 O I E -GH 43 83B 0 -15,-2.0 -15,-2.5 -55,-0.2 -55,-0.2 -0.946 25.8-132.5-109.4 122.8 72.6 24.7 -24.9 99 103 O V > - 0 0 0 -57,-2.1 3,-1.2 -2,-0.5 -57,-0.2 -0.254 18.0-117.4 -72.8 147.5 72.2 23.2 -21.3 100 104 O W T 3 S+ 0 0 8 -20,-0.4 -1,-0.1 1,-0.2 -19,-0.1 0.792 118.1 62.7 -51.8 -25.7 75.0 22.4 -18.9 101 105 O Q T 3 S+ 0 0 14 -91,-0.1 -1,-0.2 2,-0.0 -58,-0.1 0.771 84.4 94.2 -67.9 -29.1 73.6 18.9 -19.3 102 106 O S < - 0 0 0 -3,-1.2 -61,-0.2 -60,-0.4 3,-0.1 -0.291 49.0-171.2 -64.6 150.6 74.3 18.7 -23.0 103 107 O R > + 0 0 21 -63,-2.9 3,-2.4 1,-0.1 -62,-0.2 0.072 52.0 118.6-125.3 20.4 77.5 17.1 -24.5 104 108 O Q T 3 S+ 0 0 7 -64,-0.4 4,-0.1 1,-0.3 -63,-0.1 0.827 76.6 49.3 -51.6 -36.3 76.9 18.2 -28.0 105 109 O S T >> S+ 0 0 0 1,-0.2 3,-1.6 26,-0.2 4,-1.6 0.340 76.0 113.1 -87.0 7.4 80.0 20.3 -28.0 106 110 O S H <> + 0 0 40 -3,-2.4 4,-2.9 1,-0.3 5,-0.2 0.863 69.8 61.1 -49.8 -39.3 82.2 17.4 -26.7 107 111 O P H 3> S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.863 104.8 49.6 -55.8 -35.1 84.2 17.1 -30.0 108 112 O I H <> S+ 0 0 37 -3,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.927 112.1 45.2 -71.4 -40.2 85.4 20.7 -29.4 109 113 O A H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.913 111.4 55.3 -63.4 -44.2 86.5 19.9 -25.8 110 114 O D H X S+ 0 0 61 -4,-2.9 4,-3.0 1,-0.2 3,-0.2 0.948 108.5 48.0 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630 138 X S H >> S+ 0 0 0 51,-1.2 4,-1.8 1,-0.2 3,-1.0 0.839 98.0 78.6 -77.1 -36.3 74.8 -33.1 -9.7 631 139 X A H 3> S+ 0 0 1 51,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.850 99.3 38.9 -42.2 -49.8 78.0 -34.2 -7.7 632 140 X T H 3> S+ 0 0 1 -3,-0.4 4,-2.2 -6,-0.3 -1,-0.3 0.733 111.4 59.5 -78.9 -22.6 78.1 -31.2 -5.2 633 141 X K H X S- 0 0 45 -4,-2.8 3,-1.7 -5,-0.2 4,-0.5 -0.846 86.3-115.2 -96.7 124.2 70.2 -33.5 5.8 642 150 X E T 34 S+ 0 0 186 -2,-0.6 -2,-0.1 1,-0.3 -3,-0.1 -0.334 91.1 1.2 -67.7 131.2 70.5 -35.1 9.2 643 151 X G T 3> S+ 0 0 28 -5,-0.1 4,-2.2 1,-0.1 -1,-0.3 0.224 96.9 111.7 87.2 -18.6 71.2 -38.8 9.2 644 152 X A H <> S+ 0 0 2 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 0.858 70.1 57.6 -62.8 -36.5 71.3 -39.1 5.4 645 153 X Q H X S+ 0 0 31 -4,-0.5 4,-3.3 -7,-0.4 -1,-0.2 0.931 110.1 44.5 -58.5 -44.4 75.0 -39.9 5.1 646 154 X E H > S+ 0 0 127 2,-0.2 4,-2.5 1,-0.2 6,-0.2 0.917 113.5 50.6 -66.0 -47.6 74.6 -42.9 7.4 647 155 X K H <>S+ 0 0 89 -4,-2.2 5,-2.3 2,-0.2 6,-0.5 0.948 113.2 45.4 -52.7 -42.5 71.5 -44.0 5.5 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203 X E H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.948 110.2 47.3 -66.0 -33.8 87.8 -42.1 -7.3 696 204 X I H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.936 110.5 53.0 -71.6 -36.7 85.4 -39.2 -7.6 697 205 X L H <>S+ 0 0 1 -4,-2.4 5,-3.0 2,-0.2 -1,-0.2 0.916 111.5 46.3 -62.9 -37.8 82.8 -41.1 -5.4 698 206 X D H ><5S+ 0 0 104 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.943 109.3 54.5 -69.4 -40.4 85.5 -41.6 -2.7 699 207 X L H 3<5S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.884 117.3 35.2 -61.4 -36.6 86.6 -38.1 -2.9 700 208 X L T 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.301 108.2-125.4 -95.8 3.9 83.1 -36.9 -2.3 701 209 X N T < 5 + 0 0 87 -3,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.849 57.5 150.3 52.7 47.0 82.3 -39.8 0.1 702 210 X I < - 0 0 5 -5,-3.0 2,-0.2 -6,-0.2 -1,-0.2 -0.918 44.8-128.9-110.2 119.9 79.3 -40.8 -1.9 703 211 X P > - 0 0 25 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.534 5.7-134.6 -75.9 135.5 78.5 -44.4 -1.7 704 212 X S G > S+ 0 0 67 1,-0.3 3,-1.7 -2,-0.2 -55,-0.1 0.635 98.9 76.2 -54.6 -24.2 78.0 -46.3 -5.0 705 213 X S G 3 S+ 0 0 56 1,-0.3 -1,-0.3 -57,-0.1 -56,-0.1 0.683 88.1 61.5 -58.6 -25.6 74.9 -48.1 -3.5 706 214 X M G < S+ 0 0 0 -3,-2.2 -51,-2.2 -52,-0.1 -1,-0.3 0.703 89.5 98.0 -69.1 -14.7 73.0 -44.8 -4.1 707 215 X L < - 0 0 20 -3,-1.7 -51,-0.1 -4,-0.2 -35,-0.1 -0.528 66.2-132.2 -99.7 142.9 73.6 -44.9 -7.7 708 216 X P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -35,-0.3 -0.185 33.3 -95.1 -70.0 168.8 71.4 -46.1 -10.6 709 217 X E E -g 673 0K 124 -37,-1.8 -35,-1.9 1,-0.0 2,-0.4 -0.646 38.1-133.8 -77.6 143.7 72.3 -48.4 -13.4 710 218 X V E +g 674 0K 26 -2,-0.3 -35,-0.2 -37,-0.2 2,-0.2 -0.827 33.5 166.8-108.9 128.7 73.4 -46.5 -16.5 711 219 X K E -g 675 0K 56 -37,-2.1 -35,-1.7 -2,-0.4 75,-0.1 -0.721 37.7 -76.3-132.7 174.4 71.9 -47.7 -19.8 712 220 X S - 0 0 18 -37,-0.2 3,-0.2 -2,-0.2 -1,-0.2 -0.031 41.4-111.5 -70.6 176.0 71.6 -46.5 -23.4 713 221 X N S S+ 0 0 0 73,-2.8 22,-1.7 1,-0.2 2,-0.3 0.474 105.6 43.3 -90.6 -5.4 69.1 -43.8 -24.5 714 222 X S E S+A 734 0H 18 72,-0.6 2,-0.3 20,-0.2 74,-0.3 -0.738 85.0 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