==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUL-03 1PYX . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.BERTRAND,S.THIEFFINE,A.VULPETTI,C.CRISTIANI,B.VALSASINA, . 681 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31568.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 40 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 9 2 3 1 0 1 3 0 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 6 0 2 2 5 2 1 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 . 2 0 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 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 35 A S 0 0 136 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.4 61.8 13.0 34.1 2 36 A K - 0 0 174 1,-0.0 2,-0.5 2,-0.0 22,-0.4 -0.397 360.0-162.2 -65.0 129.4 59.5 15.7 32.6 3 37 A V - 0 0 81 -2,-0.2 2,-0.5 20,-0.1 20,-0.2 -0.959 2.5-156.0-115.9 131.1 57.7 17.9 35.1 4 38 A T E -A 22 0A 44 18,-2.6 18,-2.0 -2,-0.5 2,-0.5 -0.922 6.0-166.3-109.6 126.3 54.7 19.9 34.0 5 39 A T E +A 21 0A 74 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.951 14.7 167.3-113.6 134.0 53.7 23.0 36.0 6 40 A V E -A 20 0A 25 14,-2.5 14,-3.2 -2,-0.5 2,-0.6 -0.924 35.1-124.4-137.8 161.7 50.4 24.6 35.5 7 41 A V E -A 19 0A 89 -2,-0.3 2,-0.4 12,-0.2 76,-0.3 -0.951 38.4-170.2-110.0 119.6 48.3 27.2 37.2 8 42 A A E -A 18 0A 2 10,-3.6 10,-3.3 -2,-0.6 74,-0.2 -0.878 23.3-127.0-121.9 148.7 44.9 25.8 38.1 9 43 A T E -B 81 0A 30 72,-2.3 72,-1.7 -2,-0.4 6,-0.1 -0.657 38.6-108.2 -84.7 135.5 41.6 27.0 39.4 10 44 A P E -B 80 0A 16 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.306 19.4-127.2 -63.3 149.0 40.2 25.3 42.5 11 45 A G S S+ 0 0 2 68,-2.1 2,-0.2 67,-0.2 69,-0.1 0.951 89.2 3.5 -60.3 -50.9 37.2 23.0 42.1 12 46 A Q S S+ 0 0 78 67,-0.3 -1,-0.1 66,-0.2 57,-0.1 -0.786 107.5 33.4-129.1 172.4 35.2 24.8 44.8 13 47 A G S S+ 0 0 61 -2,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.374 101.2 2.8 83.6-160.4 35.6 27.8 47.1 14 48 A P S S- 0 0 100 0, 0.0 2,-1.9 0, 0.0 -2,-0.1 -0.289 73.2-116.6 -61.3 145.9 37.5 31.0 46.4 15 49 A D + 0 0 95 -6,-0.1 -2,-0.1 2,-0.0 -6,-0.1 -0.561 59.9 147.5 -84.0 74.3 39.0 31.4 42.8 16 50 A R - 0 0 185 -2,-1.9 -8,-0.1 -8,-0.0 -1,-0.0 -0.906 47.6-126.8-114.8 102.7 42.6 31.5 44.0 17 51 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.087 21.6-154.1 -49.2 135.7 44.8 29.9 41.4 18 52 A Q E -A 8 0A 79 -10,-3.3 -10,-3.6 2,-0.0 2,-0.5 -0.855 12.6-129.7-113.3 151.0 47.1 27.1 42.5 19 53 A E E -A 7 0A 149 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.873 29.8-170.6 -99.7 130.4 50.4 26.1 40.9 20 54 A V E -A 6 0A 8 -14,-3.2 -14,-2.5 -2,-0.5 2,-0.5 -0.984 11.3-169.4-129.6 133.2 50.5 22.4 40.3 21 55 A S E +A 5 0A 27 -2,-0.4 21,-3.2 -16,-0.2 22,-0.4 -0.972 15.8 166.2-121.6 127.3 53.4 20.3 39.2 22 56 A Y E -AC 4 41A 24 -18,-2.0 -18,-2.6 -2,-0.5 19,-0.2 -0.949 10.2-178.7-139.8 160.4 53.0 16.7 38.1 23 57 A T E + C 0 40A 16 17,-2.5 17,-3.0 -2,-0.3 -20,-0.1 -0.760 54.1 61.3-141.8-174.4 55.0 13.9 36.4 24 58 A D E - 0 0 83 -22,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.883 65.5-174.2 54.8 46.0 54.6 10.3 35.2 25 59 A T E + 0 0 70 -3,-0.1 2,-0.3 14,-0.1 14,-0.2 -0.535 10.9 161.6 -74.3 129.1 51.7 11.0 32.9 26 60 A K E - C 0 38A 115 12,-1.9 12,-2.5 -2,-0.3 2,-0.2 -0.996 42.2-104.4-149.1 145.0 50.2 8.0 31.3 27 61 A V E + C 0 37A 79 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.497 39.4 163.3 -69.4 131.8 46.9 7.3 29.6 28 62 A I E + 0 0 70 8,-3.4 2,-0.3 1,-0.3 9,-0.2 0.354 61.3 13.4-128.3 1.7 44.4 5.4 31.7 29 63 A G E - C 0 36A 17 7,-1.2 7,-2.4 2,-0.0 -1,-0.3 -0.988 55.3-162.0-170.8 163.1 41.1 5.9 29.9 30 64 A N E - C 0 35A 135 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.905 3.5-172.1-146.6 173.2 39.3 7.2 26.8 31 65 A G E > - C 0 34A 43 3,-1.6 3,-2.0 -2,-0.3 -2,-0.0 -0.949 49.3 -96.2-162.5 155.9 36.0 8.3 25.4 32 66 A S T 3 S+ 0 0 20 -2,-0.3 3,-0.0 1,-0.3 -1,-0.0 0.790 130.3 20.5 -50.5 -24.4 34.8 9.1 22.0 33 67 A F T 3 S+ 0 0 64 20,-0.0 21,-0.4 -3,-0.0 2,-0.3 -0.064 123.1 51.4-137.7 38.4 35.6 12.7 22.9 34 68 A G E < -C 31 0A 17 -3,-2.0 -3,-1.6 19,-0.1 2,-0.3 -0.992 50.3-151.2-164.5 169.6 38.1 12.5 25.8 35 69 A V E -CD 30 52A 44 17,-1.2 17,-3.4 -2,-0.3 2,-0.5 -0.988 13.0-153.8-147.2 136.3 41.3 11.1 27.3 36 70 A V E -CD 29 51A 31 -7,-2.4 -8,-3.4 -2,-0.3 -7,-1.2 -0.960 12.2-167.8-119.1 130.1 42.1 10.5 31.0 37 71 A Y E -CD 27 50A 61 13,-2.8 13,-2.8 -2,-0.5 2,-0.4 -0.766 15.9-139.4-111.4 158.2 45.7 10.5 32.3 38 72 A Q E +CD 26 49A 23 -12,-2.5 -12,-1.9 -2,-0.3 2,-0.3 -0.874 30.3 174.9-108.7 147.4 47.1 9.4 35.5 39 73 A A E - D 0 48A 0 9,-2.0 9,-2.1 -2,-0.4 2,-0.5 -0.984 28.7-127.5-152.1 155.1 49.8 11.7 37.0 40 74 A K E -CD 23 47A 75 -17,-3.0 -17,-2.5 -2,-0.3 2,-0.3 -0.938 25.0-128.7-110.5 123.9 51.8 12.0 40.1 41 75 A L E > -C 22 0A 3 5,-3.3 4,-2.0 -2,-0.5 -19,-0.3 -0.558 15.0-139.5 -69.1 127.9 51.8 15.3 42.0 42 76 A C T 4 S+ 0 0 58 -21,-3.2 -1,-0.1 -2,-0.3 -20,-0.1 0.877 94.2 49.7 -56.1 -44.1 55.4 16.4 42.6 43 77 A D T 4 S+ 0 0 122 -22,-0.4 -1,-0.1 1,-0.2 -21,-0.0 0.990 128.1 13.6 -59.8 -78.2 54.8 17.7 46.2 44 78 A S T 4 S- 0 0 67 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.588 91.4-125.2 -79.3 -12.3 53.0 14.8 47.9 45 79 A G < + 0 0 33 -4,-2.0 -3,-0.1 1,-0.3 2,-0.1 0.573 58.9 152.3 77.2 4.6 53.6 12.0 45.4 46 80 A E - 0 0 83 -5,-0.2 -5,-3.3 -6,-0.1 -1,-0.3 -0.420 43.4-127.3 -68.1 146.1 49.8 11.6 45.3 47 81 A L E +D 40 0A 60 -7,-0.2 49,-0.8 -3,-0.1 2,-0.3 -0.608 30.6 177.4 -91.2 153.0 48.3 10.2 42.0 48 82 A V E -DE 39 95A 0 -9,-2.1 -9,-2.0 -2,-0.2 2,-0.4 -0.927 25.2-124.3-145.3 167.7 45.5 12.1 40.4 49 83 A A E -DE 38 94A 9 45,-2.6 45,-3.2 -2,-0.3 2,-0.5 -0.900 16.9-156.2-115.2 147.2 43.6 11.6 37.2 50 84 A I E -DE 37 93A 3 -13,-2.8 -13,-2.8 -2,-0.4 2,-0.7 -0.954 1.8-159.0-127.7 113.6 43.4 14.3 34.5 51 85 A K E -DE 36 92A 31 41,-2.5 41,-2.7 -2,-0.5 2,-0.6 -0.812 11.9-162.4 -91.8 118.1 40.4 14.2 32.1 52 86 A K E +DE 35 91A 54 -17,-3.4 -17,-1.2 -2,-0.7 2,-0.3 -0.903 15.4 167.7-108.6 119.2 41.3 16.2 29.0 53 87 A V E - E 0 90A 11 37,-2.4 37,-3.0 -2,-0.6 2,-0.2 -0.965 39.9-106.7-131.0 147.2 38.5 17.3 26.7 54 88 A L E - E 0 89A 43 -21,-0.4 2,-0.5 -2,-0.3 35,-0.2 -0.480 39.3-144.2 -68.6 135.6 38.3 19.8 23.8 55 89 A Q - 0 0 23 33,-2.9 33,-0.4 -2,-0.2 2,-0.4 -0.922 10.5-126.7-118.4 124.9 36.5 22.9 24.9 56 90 A D > - 0 0 41 -2,-0.5 3,-2.1 1,-0.2 33,-0.0 -0.446 12.5-153.2 -59.6 113.0 34.2 25.1 22.7 57 91 A K T 3 S+ 0 0 129 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.790 97.3 60.8 -59.2 -22.9 35.7 28.6 23.1 58 92 A R T 3 S+ 0 0 177 2,-0.0 -1,-0.3 -3,-0.0 2,-0.3 0.336 107.0 35.5 -88.4 2.7 32.1 29.4 22.4 59 93 A F S < S- 0 0 125 -3,-2.1 2,-0.3 0, 0.0 0, 0.0 -0.907 78.4-105.6-146.7 172.9 30.4 27.7 25.4 60 94 A K - 0 0 124 -2,-0.3 2,-0.7 -5,-0.0 -4,-0.1 -0.807 45.4-108.2 -98.8 146.6 30.7 26.9 29.1 61 95 A N > - 0 0 18 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.675 24.8-162.1 -82.9 116.2 31.6 23.3 29.9 62 96 A R H > S+ 0 0 95 -2,-0.7 4,-2.4 2,-0.2 5,-0.2 0.873 89.5 54.7 -63.5 -40.5 28.5 21.6 31.4 63 97 A E H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.946 112.4 45.5 -59.3 -46.4 30.5 18.7 32.9 64 98 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.927 111.3 50.9 -62.2 -47.9 32.7 21.2 34.6 65 99 A Q H < S+ 0 0 62 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.865 113.3 46.5 -61.2 -35.7 29.9 23.4 35.9 66 100 A I H >X S+ 0 0 14 -4,-2.4 3,-1.6 1,-0.2 4,-0.6 0.955 110.9 50.3 -71.8 -48.1 28.1 20.3 37.3 67 101 A M H >< S+ 0 0 7 -4,-2.6 3,-1.1 1,-0.3 11,-0.3 0.822 100.9 63.5 -60.8 -31.2 31.2 18.9 39.0 68 102 A R T 3< S+ 0 0 68 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.744 102.8 51.2 -65.6 -20.9 32.0 22.2 40.7 69 103 A K T <4 S+ 0 0 134 -3,-1.6 2,-0.4 -4,-0.5 -1,-0.2 0.573 92.6 95.6 -90.8 -10.9 28.8 21.9 42.6 70 104 A L << + 0 0 11 -3,-1.1 8,-0.3 -4,-0.6 2,-0.3 -0.678 34.7 161.8 -94.3 135.3 29.3 18.4 43.9 71 105 A D + 0 0 120 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.769 26.7 130.0-146.2 93.2 30.7 17.5 47.2 72 106 A H > - 0 0 19 3,-0.4 3,-1.8 -2,-0.3 58,-0.0 -0.993 59.2-128.0-149.2 141.8 29.9 13.9 48.2 73 107 A C T 3 S+ 0 0 46 -2,-0.3 4,-0.1 1,-0.3 244,-0.1 0.641 111.5 51.3 -65.8 -15.3 32.1 11.0 49.5 74 108 A N T 3 S+ 0 0 3 85,-0.1 86,-2.7 2,-0.1 2,-0.4 0.073 97.8 77.5-109.0 24.4 30.7 8.7 46.8 75 109 A I B < S-g 160 0B 5 -3,-1.8 -3,-0.4 84,-0.3 86,-0.2 -0.998 91.5-108.0-133.1 126.8 31.4 11.1 43.9 76 110 A V - 0 0 4 84,-2.5 2,-0.3 -2,-0.4 -6,-0.1 -0.293 41.9-117.9 -56.4 131.8 34.9 11.5 42.5 77 111 A R - 0 0 109 -4,-0.1 18,-1.6 1,-0.1 2,-0.8 -0.556 9.1-140.2 -81.0 130.4 36.3 14.9 43.6 78 112 A L E + F 0 94A 4 -2,-0.3 16,-0.2 -11,-0.3 -67,-0.2 -0.778 23.5 179.4 -83.7 110.5 37.2 17.6 41.1 79 113 A R E - 0 0 33 14,-3.0 -68,-2.1 -2,-0.8 2,-0.3 0.963 60.1 -23.6 -78.2 -53.9 40.5 19.0 42.6 80 114 A Y E -BF 10 93A 31 13,-1.1 13,-3.0 -70,-0.3 2,-0.3 -0.929 54.1-151.4-148.5 170.4 41.3 21.7 40.0 81 115 A F E +BF 9 92A 7 -72,-1.7 -72,-2.3 -2,-0.3 2,-0.3 -0.977 18.6 167.9-146.6 149.6 40.7 22.5 36.4 82 116 A F E - F 0 91A 9 9,-1.6 9,-2.8 -2,-0.3 2,-0.3 -0.976 28.8-114.2-157.3 163.5 42.8 24.4 34.0 83 117 A Y E + F 0 90A 107 -2,-0.3 2,-0.3 -76,-0.3 7,-0.2 -0.784 33.2 163.0-107.9 150.9 43.1 25.1 30.3 84 118 A S E F 0 89A 31 5,-2.0 5,-3.6 -2,-0.3 -78,-0.0 -0.901 360.0 360.0-150.2 176.1 45.8 24.1 27.9 85 119 A S 0 0 125 -2,-0.3 3,-0.2 3,-0.2 -2,-0.0 -0.984 360.0 360.0-160.3 360.0 46.4 23.7 24.1 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 125 A E 0 0 149 0, 0.0 2,-0.4 0, 0.0 -31,-0.1 0.000 360.0 360.0 360.0 119.5 42.3 24.4 19.9 88 126 A V - 0 0 46 -33,-0.4 -33,-2.9 -3,-0.2 2,-0.4 -0.868 360.0-155.9-108.6 136.7 41.8 24.8 23.6 89 127 A Y E -EF 54 84A 78 -5,-3.6 -5,-2.0 -2,-0.4 2,-0.5 -0.876 9.0-143.9-113.5 144.0 41.4 22.0 26.1 90 128 A L E -EF 53 83A 0 -37,-3.0 -37,-2.4 -2,-0.4 2,-0.5 -0.875 18.0-159.0-100.4 131.7 39.8 21.8 29.5 91 129 A N E -EF 52 82A 4 -9,-2.8 -9,-1.6 -2,-0.5 2,-0.7 -0.961 3.8-160.6-117.7 119.7 41.6 19.6 32.0 92 130 A L E -EF 51 81A 0 -41,-2.7 -41,-2.5 -2,-0.5 2,-0.7 -0.873 8.0-153.7-100.7 116.1 39.8 18.2 35.0 93 131 A V E +EF 50 80A 7 -13,-3.0 -14,-3.0 -2,-0.7 -13,-1.1 -0.809 25.2 177.5 -92.0 116.6 42.2 17.1 37.8 94 132 A L E -EF 49 78A 19 -45,-3.2 -45,-2.6 -2,-0.7 -16,-0.2 -0.749 38.2 -88.9-118.5 162.2 40.4 14.4 39.8 95 133 A D E -E 48 0A 29 -18,-1.6 2,-0.4 -2,-0.3 -47,-0.2 -0.450 51.5-116.7 -64.5 145.8 41.2 12.2 42.7 96 134 A Y - 0 0 70 -49,-0.8 -49,-0.1 -2,-0.1 -1,-0.1 -0.718 30.4-171.1 -88.7 133.8 42.7 9.0 41.3 97 135 A V - 0 0 19 -2,-0.4 55,-0.1 1,-0.1 54,-0.1 -0.998 16.7-144.5-127.6 127.0 40.8 5.8 42.0 98 136 A P + 0 0 45 0, 0.0 2,-0.2 0, 0.0 54,-0.2 0.761 69.4 27.4 -57.8 -38.5 42.4 2.5 41.1 99 137 A E E -H 151 0B 41 52,-2.2 52,-3.0 4,-0.0 2,-0.3 -0.741 56.8-139.9-130.2 176.4 39.5 0.4 39.9 100 138 A T E > -H 150 0B 26 50,-0.3 4,-2.3 -2,-0.2 50,-0.2 -0.939 30.3-122.4-130.2 152.0 36.1 0.3 38.3 101 139 A V H > S+ 0 0 2 48,-2.6 4,-2.8 45,-0.8 5,-0.2 0.850 115.8 60.7 -60.5 -29.9 33.1 -1.9 39.1 102 140 A Y H > S+ 0 0 84 44,-1.2 4,-2.8 47,-0.3 -1,-0.2 0.960 105.6 41.6 -60.9 -55.6 33.5 -3.0 35.5 103 141 A R H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.922 115.9 50.3 -59.6 -46.4 37.0 -4.4 35.8 104 142 A V H X S+ 0 0 24 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.960 113.3 45.7 -58.3 -50.2 36.2 -6.0 39.1 105 143 A A H X S+ 0 0 18 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.899 110.7 53.0 -61.8 -39.5 33.1 -7.6 37.7 106 144 A R H X S+ 0 0 95 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.876 107.3 53.0 -64.0 -36.1 35.0 -8.7 34.5 107 145 A H H X S+ 0 0 108 -4,-2.2 4,-0.6 2,-0.2 6,-0.2 0.922 113.3 41.9 -65.2 -44.4 37.7 -10.5 36.6 108 146 A Y H <>S+ 0 0 55 -4,-1.9 5,-2.6 1,-0.2 3,-0.4 0.900 114.2 53.4 -68.8 -39.8 35.1 -12.5 38.6 109 147 A S H ><5S+ 0 0 54 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.885 110.9 43.1 -64.6 -42.1 33.1 -13.2 35.5 110 148 A R H 3<5S+ 0 0 174 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.603 110.3 57.9 -82.4 -6.6 35.9 -14.7 33.5 111 149 A A T 3<5S- 0 0 34 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.303 117.2-115.9 -99.2 7.0 37.1 -16.6 36.5 112 150 A K T < 5S+ 0 0 192 -3,-1.0 -3,-0.2 1,-0.2 2,-0.1 0.580 82.5 105.3 69.8 12.4 33.7 -18.2 36.7 113 151 A Q < - 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0 0 102 6,-0.1 6,-0.2 -2,-0.0 5,-0.1 -0.933 36.2 -99.9-138.0 161.4 33.2 -5.6 58.5 309 350 A L > - 0 0 4 4,-3.2 3,-2.3 -2,-0.3 6,-0.1 -0.477 42.4-111.1 -74.8 154.6 34.9 -5.9 55.2 310 351 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.944 119.8 60.6 -53.8 -44.5 36.1 -9.4 54.5 311 352 A N T 3 S- 0 0 84 1,-0.1 -2,-0.1 -157,-0.1 -157,-0.0 0.383 124.4-105.6 -64.5 8.9 39.8 -8.2 54.8 312 353 A G S < S+ 0 0 52 -3,-2.3 -1,-0.1 1,-0.3 0, 0.0 0.191 79.3 126.3 89.8 -18.6 38.9 -7.2 58.4 313 354 A R - 0 0 124 -159,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.179 67.4 -95.7 -70.2 167.7 38.6 -3.4 57.9 314 355 A D - 0 0 118 -6,-0.2 -6,-0.1 1,-0.1 -1,-0.1 -0.402 47.2-101.8 -74.0 158.4 35.7 -1.2 58.9 315 356 A T - 0 0 28 -8,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.354 46.3 -91.2 -76.4 164.3 33.3 -0.4 56.0 316 357 A P - 0 0 18 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.121 64.2 -66.1 -65.4 175.5 33.5 3.0 54.4 317 358 A A + 0 0 55 1,-0.2 -244,-0.0 -3,-0.1 -3,-0.0 -0.466 63.2 162.8 -64.9 134.2 31.4 5.9 55.8 318 359 A L + 0 0 2 -2,-0.2 -1,-0.2 -3,-0.1 -16,-0.0 0.529 63.2 44.2-130.4 -14.9 27.8 4.9 55.1 319 360 A F + 0 0 38 1,-0.1 2,-2.2 18,-0.1 -2,-0.1 0.301 66.7 112.3-120.9 9.3 25.7 7.1 57.4 320 361 A N + 0 0 89 17,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.260 49.6 171.1 -80.1 54.8 27.1 10.6 57.2 321 362 A F - 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0 0 32 0, 0.0 -9,-0.1 0, 0.0 -33,-0.0 -0.283 34.9-148.5 -58.9 142.4 33.5 -0.4 12.2 564 256 B I S S+ 0 0 17 -11,-0.4 -10,-0.0 1,-0.2 -11,-0.0 0.816 90.9 34.2 -83.9 -30.0 33.6 3.2 11.1 565 257 B F S S+ 0 0 3 -36,-0.3 -1,-0.2 -12,-0.1 12,-0.1 -0.466 79.4 163.9-124.6 63.3 31.1 4.6 13.7 566 258 B P + 0 0 43 0, 0.0 10,-0.3 0, 0.0 2,-0.2 -0.155 8.5 134.6 -70.7 169.2 31.5 2.5 16.9 567 259 B G - 0 0 17 1,-0.1 6,-0.1 8,-0.1 -2,-0.0 -0.474 52.2-131.2 150.6 138.3 30.1 3.6 20.2 568 260 B D S S+ 0 0 59 -2,-0.2 -386,-2.6 -387,-0.1 2,-0.3 0.697 94.3 39.4 -82.0 -22.4 28.2 2.3 23.2 569 261 B S S > S- 0 0 4 -388,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.841 86.5-113.6-123.2 164.4 25.8 5.2 23.3 570 262 B G H > S+ 0 0 9 -392,-0.8 4,-2.7 -390,-0.4 5,-0.2 0.914 118.6 57.3 -59.6 -41.6 24.0 7.2 20.6 571 263 B V H > S+ 0 0 32 -393,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.908 105.5 49.2 -55.7 -44.9 26.0 10.2 21.7 572 264 B D H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 111.1 49.6 -63.2 -41.2 29.3 8.3 21.1 573 265 B Q H X S+ 0 0 15 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.913 109.9 51.3 -63.0 -43.0 28.1 7.2 17.7 574 266 B L H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.901 109.2 51.3 -62.6 -39.3 27.2 10.8 16.8 575 267 B V H X S+ 0 0 10 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.945 110.7 47.0 -63.2 -47.0 30.6 12.0 17.9 576 268 B E H X S+ 0 0 40 -4,-2.4 4,-0.6 -10,-0.3 -2,-0.2 0.880 113.3 49.5 -61.8 -38.3 32.3 9.4 15.7 577 269 B I H >X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 3,-1.3 0.958 112.8 47.3 -64.8 -47.7 30.0 10.4 12.8 578 270 B I H 3X S+ 0 0 3 -4,-3.0 4,-2.1 1,-0.3 -2,-0.2 0.861 102.6 62.4 -62.7 -35.7 30.8 14.0 13.4 579 271 B K H 3< S+ 0 0 75 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.705 117.8 30.3 -63.4 -17.0 34.6 13.4 13.6 580 272 B V H << S+ 0 0 17 -3,-1.3 22,-2.2 -4,-0.6 -2,-0.2 0.820 130.2 31.7-106.4 -49.6 34.4 12.2 10.0 581 273 B L H < S- 0 0 28 -4,-3.1 20,-0.3 20,-0.2 -3,-0.2 0.677 105.4-125.2 -84.1 -18.6 31.6 14.1 8.4 582 274 B G < - 0 0 3 -4,-2.1 18,-0.2 -5,-0.5 -1,-0.2 -0.141 50.7 -37.3 91.0 164.6 32.0 17.3 10.4 583 275 B T S S- 0 0 39 16,-2.5 18,-0.1 1,-0.1 15,-0.1 -0.340 70.4-109.6 -62.5 137.1 29.3 19.0 12.4 584 276 B P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.401 30.4-120.5 -65.1 141.7 25.9 18.8 10.7 585 277 B T > - 0 0 68 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.431 30.8-106.7 -74.3 163.4 24.7 22.2 9.5 586 278 B R H > S+ 0 0 221 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.920 123.6 53.9 -57.0 -43.9 21.4 23.3 11.1 587 279 B E H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 107.9 50.0 -59.0 -39.0 19.6 22.6 7.8 588 280 B Q H > S+ 0 0 39 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 109.0 51.2 -66.7 -42.8 21.1 19.0 7.8 589 281 B I H < S+ 0 0 48 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.926 110.1 50.1 -59.4 -42.0 20.0 18.5 11.4 590 282 B R H < S+ 0 0 224 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.904 105.4 56.7 -61.8 -42.5 16.5 19.6 10.3 591 283 B E H < 0 0 90 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 360.0 360.0 -57.2 -33.8 16.6 17.2 7.3 592 284 B M < 0 0 22 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.937 360.0 360.0 -80.7 360.0 17.2 14.4 9.8 593 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 594 291 B F 0 0 99 0, 0.0 2,-1.6 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 95.3 22.1 20.4 19.8 595 292 B K + 0 0 136 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.529 360.0 135.2 -87.7 69.8 25.0 20.2 22.3 596 293 B F - 0 0 21 -2,-1.6 -13,-0.0 1,-0.0 -21,-0.0 -0.955 58.4-100.8-128.9 145.4 27.7 19.1 19.9 597 294 B P - 0 0 29 0, 0.0 2,-1.1 0, 0.0 -542,-0.0 -0.120 32.1-123.1 -51.9 142.6 31.3 20.0 19.1 598 295 B Q + 0 0 113 -15,-0.1 2,-0.4 -16,-0.1 -16,-0.0 -0.810 48.6 166.4 -94.0 96.8 31.9 22.3 16.1 599 296 B I - 0 0 43 -2,-1.1 -16,-2.5 -21,-0.0 2,-0.2 -0.912 35.2-125.2-117.9 142.0 34.3 20.1 14.2 600 297 B K - 0 0 197 -2,-0.4 -18,-0.3 -18,-0.2 -2,-0.0 -0.544 42.9 -92.8 -80.7 149.0 35.5 20.4 10.6 601 298 B A - 0 0 60 -20,-0.3 -20,-0.2 -2,-0.2 -21,-0.1 -0.199 38.3-119.4 -57.8 151.5 35.0 17.4 8.3 602 299 B H - 0 0 73 -22,-2.2 5,-0.1 -24,-0.1 -1,-0.1 -0.861 38.2 -97.2 -97.2 128.9 37.9 14.9 8.2 603 300 B P >> - 0 0 79 0, 0.0 3,-2.4 0, 0.0 4,-0.9 -0.194 29.3-139.8 -45.3 110.5 39.3 14.5 4.6 604 301 B W H >> S+ 0 0 47 1,-0.3 4,-1.1 2,-0.2 3,-1.0 0.842 103.0 59.6 -45.3 -36.0 37.6 11.4 3.4 605 302 B T H 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.836 104.1 48.3 -63.8 -32.2 40.9 10.5 1.8 606 303 B K H <4 S+ 0 0 161 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.532 99.4 69.4 -86.2 -5.8 42.6 10.5 5.2 607 304 B V H << S+ 0 0 28 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.880 99.6 52.3 -75.3 -39.9 39.9 8.4 6.8 608 305 B F S < S- 0 0 11 -4,-1.1 -48,-0.1 1,-0.1 3,-0.1 -0.505 99.4 -88.8 -96.9 164.8 41.0 5.3 4.8 609 306 B R > - 0 0 129 -50,-0.2 3,-1.3 -2,-0.2 2,-0.2 -0.203 52.3 -94.0 -64.9 159.8 44.4 3.7 4.4 610 307 B P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.594 115.4 39.8 -75.4 145.8 46.6 4.9 1.7 611 308 B R T 3 S+ 0 0 233 1,-0.4 -2,-0.1 -2,-0.2 0, 0.0 0.048 78.8 137.3 101.7 -21.8 46.1 2.7 -1.4 612 309 B T < - 0 0 24 -3,-1.3 -1,-0.4 -7,-0.1 5,-0.1 -0.385 69.4 -98.9 -55.9 125.1 42.3 2.5 -0.8 613 310 B P > - 0 0 31 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.212 23.1-135.4 -52.8 131.0 40.7 3.0 -4.3 614 311 B P H > S+ 0 0 91 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.869 106.1 55.7 -53.6 -42.0 39.6 6.6 -4.9 615 312 B E H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.875 104.7 52.9 -62.3 -36.5 36.3 5.3 -6.3 616 313 B A H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.957 111.2 46.2 -63.0 -48.0 35.7 3.3 -3.1 617 314 B I H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.906 111.8 51.4 -60.8 -42.7 36.2 6.5 -1.1 618 315 B A H X S+ 0 0 40 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.910 108.0 52.0 -61.8 -43.2 34.0 8.5 -3.4 619 316 B L H >X S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.8 0.943 108.5 52.3 -57.7 -49.4 31.2 5.9 -3.1 620 317 B C H >X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.3 3,-1.5 0.915 104.9 54.5 -51.6 -49.1 31.4 6.1 0.7 621 318 B S H 3< S+ 0 0 30 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.751 108.9 49.0 -60.6 -24.8 31.0 9.8 0.7 622 319 B R H << S+ 0 0 95 -4,-1.1 10,-1.9 -3,-1.0 -1,-0.3 0.539 116.2 42.8 -92.2 -7.7 27.8 9.6 -1.4 623 320 B L H << S+ 0 0 0 -3,-1.5 2,-1.8 -4,-0.8 -2,-0.2 0.836 107.1 57.4 -98.7 -51.9 26.4 6.9 0.9 624 321 B L S < S+ 0 0 2 -4,-3.1 2,-0.4 -5,-0.2 -1,-0.2 -0.521 75.9 141.5 -85.7 72.3 27.3 8.3 4.3 625 322 B E - 0 0 56 -2,-1.8 6,-0.1 -3,-0.2 -3,-0.1 -0.909 53.4-137.0-114.0 140.1 25.5 11.7 3.9 626 323 B Y S S+ 0 0 8 -2,-0.4 -92,-0.2 -45,-0.1 -1,-0.1 0.942 90.8 73.6 -59.2 -51.1 23.7 13.5 6.7 627 324 B T S >> S- 0 0 13 1,-0.2 3,-1.5 -3,-0.1 4,-0.6 -0.550 76.0-150.4 -72.1 112.8 20.8 14.5 4.5 628 325 B P G >4 S+ 0 0 16 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.867 95.1 51.7 -49.8 -44.1 18.8 11.3 3.8 629 326 B T G 34 S+ 0 0 125 1,-0.2 -2,-0.1 -38,-0.1 -3,-0.0 0.652 102.0 61.8 -72.1 -15.2 17.6 12.5 0.4 630 327 B A G <4 S+ 0 0 38 -3,-1.5 -1,-0.2 -5,-0.1 3,-0.1 0.621 82.4 99.4 -84.8 -14.1 21.2 13.3 -0.7 631 328 B R S << S- 0 0 12 -3,-1.0 -8,-0.2 -4,-0.6 -9,-0.1 -0.393 85.4 -99.3 -71.7 151.7 22.4 9.7 -0.4 632 329 B L - 0 0 17 -10,-1.9 -1,-0.1 -13,-0.2 -2,-0.1 -0.273 34.8-117.8 -62.9 155.6 22.6 7.6 -3.5 633 330 B T > - 0 0 51 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.546 31.5-108.2 -85.8 162.7 19.7 5.2 -4.2 634 331 B P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.922 120.9 52.3 -61.0 -36.3 20.8 1.6 -4.2 635 332 B L H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.916 109.2 49.2 -64.5 -41.6 20.3 1.4 -8.0 636 333 B E H 4 S+ 0 0 73 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.873 108.3 55.0 -64.1 -33.5 22.5 4.5 -8.4 637 334 B A H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 6,-0.2 0.938 102.5 55.4 -65.7 -44.3 25.0 2.9 -6.2 638 335 B C H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 108.0 51.0 -55.2 -30.7 25.1 -0.2 -8.4 639 336 B A T 3< S+ 0 0 17 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.491 84.1 121.0 -87.4 -4.4 26.0 2.1 -11.3 640 337 B H S X S- 0 0 35 -3,-1.9 3,-1.7 -4,-0.4 4,-0.1 -0.174 75.8-116.3 -59.9 151.1 28.8 3.9 -9.5 641 338 B S G > S+ 0 0 57 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.766 108.0 76.7 -62.4 -24.0 32.3 3.7 -11.1 642 339 B F G 3 S+ 0 0 3 -27,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.818 97.6 48.3 -55.2 -28.8 33.6 1.7 -8.1 643 340 B F G X> S+ 0 0 0 -3,-1.7 3,-1.1 -6,-0.2 4,-0.7 0.382 77.7 105.4 -94.8 6.1 31.8 -1.2 -9.6 644 341 B D G X4 S+ 0 0 83 -3,-2.2 3,-1.1 1,-0.3 4,-0.2 0.844 73.8 61.4 -54.1 -37.5 33.2 -0.8 -13.2 645 342 B E G >4 S+ 0 0 83 -3,-0.4 3,-1.8 -4,-0.3 -1,-0.3 0.868 96.5 59.1 -59.3 -35.9 35.5 -3.7 -12.8 646 343 B L G <4 S+ 0 0 2 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.796 103.6 53.6 -64.0 -24.2 32.6 -6.1 -12.2 647 344 B R G << S+ 0 0 23 -3,-1.1 -1,-0.3 -4,-0.7 37,-0.2 0.382 81.5 116.6 -89.9 4.3 31.3 -5.0 -15.7 648 345 B D X - 0 0 70 -3,-1.8 3,-2.1 -4,-0.2 -3,-0.0 -0.628 68.9-134.9 -78.5 126.5 34.6 -5.9 -17.3 649 346 B P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.755 103.9 46.6 -48.8 -29.7 34.2 -8.8 -19.9 650 347 B N T 3 S+ 0 0 127 -5,-0.1 -4,-0.1 2,-0.0 -3,-0.0 0.394 78.0 124.9-101.3 5.2 37.3 -10.4 -18.5 651 348 B V < + 0 0 17 -3,-2.1 8,-0.4 -6,-0.2 2,-0.3 -0.345 33.1 173.8 -64.8 146.1 36.8 -10.2 -14.7 652 349 B K - 0 0 102 6,-0.2 6,-0.2 -2,-0.0 5,-0.1 -0.965 35.2 -98.0-147.2 157.4 37.0 -13.6 -12.9 653 350 B L > - 0 0 7 4,-2.7 3,-1.9 -2,-0.3 6,-0.1 -0.351 37.8-110.6 -74.0 160.1 37.0 -14.6 -9.3 654 351 B P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -190,-0.0 0.806 119.7 60.2 -62.1 -27.0 40.3 -15.3 -7.6 655 352 B N T 3 S- 0 0 76 -155,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.457 122.7-108.2 -80.7 5.4 39.5 -19.0 -7.5 656 353 B G S < S+ 0 0 53 -3,-1.9 -1,-0.1 1,-0.3 0, 0.0 0.287 78.8 126.7 90.8 -13.0 39.3 -18.9 -11.3 657 354 B R - 0 0 130 -157,-0.2 -4,-2.7 1,-0.1 -1,-0.3 -0.206 66.9 -97.2 -73.4 166.6 35.5 -19.2 -11.5 658 355 B D - 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