==== 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 10-NOV-08 3F7Z . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.MOL,D.R.DOUGAN . 680 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 62.2 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 . 107 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 86 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 8 2 1 2 2 0 5 0 0 0 0 0 2 0 0 1 1 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 3 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 . 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 34 A L 0 0 144 0, 0.0 24,-2.0 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -96.1 5.6 30.3 13.7 2 35 A S + 0 0 112 22,-0.2 2,-0.0 23,-0.1 0, 0.0 0.754 360.0 100.3 -87.4 -27.5 8.6 32.5 12.8 3 36 A K - 0 0 148 23,-0.1 2,-0.6 1,-0.1 22,-0.4 -0.323 69.4-137.3 -61.5 138.2 10.3 32.3 16.2 4 37 A V - 0 0 74 20,-0.1 2,-0.5 21,-0.1 20,-0.2 -0.898 15.2-157.0 -99.8 122.3 13.2 29.8 16.4 5 38 A T E -A 23 0A 43 18,-2.8 18,-2.7 -2,-0.6 2,-0.5 -0.892 7.0-169.4-101.7 129.0 13.2 27.6 19.5 6 39 A T E +A 22 0A 74 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.974 13.5 167.9-118.0 123.5 16.5 26.0 20.6 7 40 A V E -A 21 0A 26 14,-2.7 14,-2.7 -2,-0.5 2,-0.8 -0.851 41.2-116.5-127.1 165.3 16.4 23.4 23.3 8 41 A V E -A 20 0A 97 -2,-0.3 76,-0.4 12,-0.2 2,-0.3 -0.903 47.1-179.8-102.9 103.5 18.9 20.9 24.8 9 42 A A E -A 19 0A 0 10,-2.8 10,-3.3 -2,-0.8 74,-0.2 -0.814 25.0-129.9-113.4 145.7 17.2 17.6 23.9 10 43 A T E -B 82 0A 15 72,-3.0 72,-1.9 -2,-0.3 6,-0.1 -0.808 33.8-105.5 -97.2 125.5 18.2 14.0 24.6 11 44 A P E -B 81 0A 19 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.192 26.0-132.2 -44.1 136.7 18.2 11.5 21.8 12 45 A G S S+ 0 0 1 68,-2.6 68,-0.2 67,-0.2 69,-0.1 0.894 95.9 9.0 -63.8 -43.4 15.2 9.1 22.1 13 46 A Q S S+ 0 0 65 67,-0.3 -1,-0.1 66,-0.2 3,-0.1 0.750 111.3 84.8-109.9 -33.2 17.1 5.9 21.5 14 47 A G S S- 0 0 35 1,-0.1 -4,-0.0 3,-0.1 2,-0.0 0.259 94.0 -59.9 -61.9-174.5 20.8 6.8 21.6 15 48 A P - 0 0 105 0, 0.0 2,-2.5 0, 0.0 -1,-0.1 -0.323 68.5 -89.6 -59.2 155.3 23.1 7.2 24.6 16 49 A D S S+ 0 0 90 -6,-0.1 -6,-0.1 -3,-0.1 -4,-0.1 -0.451 81.0 134.1 -72.6 74.4 22.0 9.9 27.0 17 50 A R - 0 0 189 -2,-2.5 -8,-0.1 -6,-0.1 -3,-0.1 -0.851 47.9-141.5-129.2 95.2 24.0 12.7 25.3 18 51 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.149 16.8-165.3 -59.8 145.1 21.9 15.8 24.8 19 52 A Q E -A 9 0A 93 -10,-3.3 -10,-2.8 2,-0.0 2,-0.4 -0.891 28.4-104.3-125.3 159.4 22.1 18.0 21.7 20 53 A E E -A 8 0A 151 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.710 40.8-172.1 -78.5 132.2 21.0 21.4 20.8 21 54 A V E -A 7 0A 6 -14,-2.7 -14,-2.7 -2,-0.4 2,-0.4 -0.999 7.3-162.6-132.4 126.4 17.9 21.1 18.6 22 55 A S E +A 6 0A 30 -2,-0.4 21,-2.4 -16,-0.2 22,-0.4 -0.923 13.6 174.4-111.2 133.6 16.4 24.1 16.9 23 56 A Y E +AC 5 42A 20 -18,-2.7 -18,-2.8 -2,-0.4 2,-0.3 -0.967 3.8 178.5-138.2 157.5 12.8 24.0 15.6 24 57 A T E + C 0 41A 15 17,-3.2 17,-3.6 -2,-0.3 -22,-0.2 -0.867 53.1 59.7-148.6 177.9 10.4 26.4 14.0 25 58 A D E S- 0 0 62 -24,-2.0 2,-0.3 -22,-0.4 -23,-0.1 0.830 71.0-175.8 62.3 35.8 6.9 26.9 12.4 26 59 A T E + 0 0 33 -23,-0.4 2,-0.3 -3,-0.1 14,-0.2 -0.483 12.4 158.2 -71.4 121.0 5.5 25.8 15.8 27 60 A K E - C 0 39A 109 12,-2.4 12,-3.2 -2,-0.3 2,-0.3 -0.996 42.5-113.1-139.8 144.1 1.7 25.4 15.9 28 61 A V E + C 0 38A 69 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.591 32.1 172.1 -74.0 138.6 -0.6 23.5 18.2 29 62 A I E + 0 0 74 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.497 68.4 22.3-121.8 -15.3 -2.4 20.6 16.4 30 63 A G E + C 0 37A 11 7,-1.8 7,-3.5 537,-0.1 -1,-0.4 -0.977 52.4 176.0-153.1 145.7 -4.0 18.9 19.3 31 64 A N E + C 0 36A 63 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.751 40.7 103.1-153.1 90.9 -4.9 20.0 22.9 32 65 A G E > S- C 0 35A 8 3,-2.5 3,-0.7 -2,-0.2 489,-0.1 -0.487 86.0 -45.8-144.3-148.6 -6.7 17.4 24.9 33 66 A S T 3 S+ 0 0 101 1,-0.2 3,-0.1 -2,-0.2 488,-0.0 0.821 128.5 61.2 -65.6 -32.1 -6.5 14.8 27.7 34 67 A F T 3 S- 0 0 65 1,-0.3 2,-0.3 20,-0.0 -1,-0.2 0.694 116.6-112.4 -67.5 -22.3 -3.3 13.6 26.0 35 68 A G E < -C 32 0A 17 -3,-0.7 -3,-2.5 19,-0.1 2,-0.5 -0.914 54.1 -35.1 123.4-152.2 -1.7 17.0 26.6 36 69 A V E -CD 31 53A 28 17,-2.0 17,-2.8 -2,-0.3 2,-0.4 -0.937 53.7-162.0-109.6 129.4 -0.7 19.6 24.0 37 70 A V E -CD 30 52A 29 -7,-3.5 -8,-3.3 -2,-0.5 -7,-1.8 -0.948 8.9-168.0-113.4 134.4 0.6 18.3 20.6 38 71 A Y E -CD 28 51A 46 13,-2.0 13,-2.2 -2,-0.4 2,-0.4 -0.841 16.8-142.6-115.9 150.8 2.5 20.7 18.3 39 72 A Q E +CD 27 50A 24 -12,-3.2 -12,-2.4 -2,-0.3 2,-0.3 -0.912 34.2 161.1-104.1 146.3 3.7 20.5 14.7 40 73 A A E - D 0 49A 0 9,-2.0 9,-2.7 -2,-0.4 2,-0.4 -0.950 34.7-123.6-155.2 168.0 7.1 22.1 14.1 41 74 A K E -CD 24 48A 70 -17,-3.6 -17,-3.2 -2,-0.3 2,-0.3 -0.983 26.4-123.3-121.9 129.1 9.9 22.0 11.5 42 75 A L E > -C 23 0A 8 5,-3.3 4,-1.8 -2,-0.4 -19,-0.3 -0.578 18.3-139.7 -71.6 132.2 13.5 21.1 12.4 43 76 A C T 4 S+ 0 0 58 -21,-2.4 -1,-0.1 -2,-0.3 -20,-0.1 0.925 93.7 44.4 -60.3 -49.5 15.8 24.0 11.4 44 77 A D T 4 S+ 0 0 134 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.939 127.4 22.0 -63.0 -54.3 18.7 21.9 10.0 45 78 A S T 4 S- 0 0 77 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.689 92.3-126.3 -93.5 -21.8 16.9 19.2 7.9 46 79 A G < + 0 0 43 -4,-1.8 2,-0.3 1,-0.3 -3,-0.1 0.641 58.5 149.9 80.3 15.9 13.5 20.9 7.2 47 80 A E - 0 0 96 -5,-0.2 -5,-3.3 -6,-0.0 -1,-0.3 -0.627 46.0-125.3 -85.6 138.1 11.8 17.9 8.6 48 81 A L E +D 41 0A 67 -2,-0.3 51,-0.8 -7,-0.2 2,-0.3 -0.578 32.1 179.7 -79.0 143.3 8.4 18.2 10.3 49 82 A V E -DE 40 98A 0 -9,-2.7 -9,-2.0 -2,-0.2 2,-0.4 -0.969 24.5-130.9-137.4 156.2 8.0 16.8 13.8 50 83 A A E -DE 39 97A 12 47,-2.5 47,-3.9 -2,-0.3 2,-0.5 -0.834 19.0-154.1-100.3 147.2 5.2 16.6 16.3 51 84 A I E -DE 38 96A 3 -13,-2.2 -13,-2.0 -2,-0.4 2,-0.5 -0.956 2.9-160.3-125.9 114.9 6.0 17.7 19.9 52 85 A K E -DE 37 95A 9 43,-2.8 43,-3.3 -2,-0.5 2,-0.5 -0.815 7.9-166.4 -95.2 125.3 3.9 16.2 22.7 53 86 A K E +DE 36 94A 49 -17,-2.8 -17,-2.0 -2,-0.5 2,-0.3 -0.956 11.7 170.6-118.1 120.9 4.0 18.2 25.9 54 87 A V E - E 0 93A 21 39,-2.4 39,-3.2 -2,-0.5 2,-0.2 -0.955 37.5-107.6-127.8 146.4 2.8 16.7 29.1 55 88 A L E - E 0 92A 114 -2,-0.3 2,-0.4 37,-0.2 37,-0.3 -0.550 36.6-152.6 -70.7 135.4 3.0 18.0 32.7 56 89 A Q - 0 0 32 35,-2.5 35,-0.3 -2,-0.2 5,-0.1 -0.924 18.7-148.6-117.5 142.0 5.5 16.0 34.8 57 90 A D - 0 0 55 -2,-0.4 2,-3.1 1,-0.1 4,-0.1 0.511 22.6-156.5 -82.4 -9.1 5.5 15.5 38.6 58 91 A K S S+ 0 0 131 2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.016 85.8 73.4 56.9 -32.5 9.4 15.3 38.7 59 92 A R S S+ 0 0 89 -2,-3.1 2,-0.3 2,-0.1 -1,-0.2 0.448 103.1 52.1 -79.7 -1.1 9.2 13.3 42.0 60 93 A F S S- 0 0 165 0, 0.0 -2,-0.4 0, 0.0 2,-0.2 -0.962 87.9-115.0-136.6 148.3 8.1 10.5 39.6 61 94 A K - 0 0 198 -2,-0.3 2,-0.6 -4,-0.1 -4,-0.1 -0.574 34.1-115.2 -78.4 146.1 9.4 8.9 36.4 62 95 A N > - 0 0 25 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 -0.761 20.4-160.4 -82.6 118.7 7.3 9.3 33.2 63 96 A R H > S+ 0 0 122 -2,-0.6 4,-2.7 2,-0.2 5,-0.2 0.926 90.0 56.0 -63.7 -46.9 6.0 5.9 32.1 64 97 A E H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 109.4 47.5 -54.0 -43.2 5.3 7.0 28.6 65 98 A L H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 108.6 54.3 -66.9 -39.6 8.9 8.2 28.2 66 99 A Q H X S+ 0 0 88 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.958 113.1 43.1 -56.8 -51.0 10.2 4.9 29.7 67 100 A I H >X S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.6 0.934 113.9 50.3 -59.2 -49.4 8.2 2.9 27.0 68 101 A M H >< S+ 0 0 9 -4,-2.6 3,-0.8 1,-0.3 11,-0.4 0.822 101.3 61.0 -63.3 -35.7 9.1 5.2 24.1 69 102 A R H 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.704 106.5 50.4 -63.6 -18.6 12.8 5.1 24.9 70 103 A K H << S+ 0 0 89 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.633 93.8 91.0 -90.7 -18.5 12.6 1.3 24.3 71 104 A L << + 0 0 5 -3,-0.8 8,-0.4 -4,-0.6 2,-0.2 -0.654 32.9 158.9 -99.6 137.4 10.9 1.3 20.9 72 105 A D + 0 0 107 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.716 28.3 132.2-148.4 91.7 12.3 1.4 17.4 73 106 A H > - 0 0 16 3,-0.4 3,-1.4 -2,-0.2 60,-0.0 -0.994 58.5-126.1-145.5 146.8 9.8 0.1 14.8 74 107 A C T 3 S+ 0 0 42 -2,-0.3 4,-0.1 1,-0.3 59,-0.1 0.652 110.4 51.2 -69.1 -15.3 8.6 1.3 11.4 75 108 A N T 3 S+ 0 0 1 87,-0.1 88,-3.4 2,-0.1 2,-0.4 0.169 99.7 74.1-109.8 19.5 4.9 1.1 12.5 76 109 A I B < S-g 163 0B 3 -3,-1.4 -3,-0.4 86,-0.3 88,-0.2 -0.999 91.6-106.7-131.5 130.5 5.3 3.1 15.7 77 110 A V - 0 0 10 86,-2.5 2,-0.2 -2,-0.4 -2,-0.1 -0.314 46.7-125.5 -50.8 123.8 5.8 6.9 15.8 78 111 A R - 0 0 88 -4,-0.1 20,-1.7 -6,-0.1 2,-0.9 -0.559 2.9-130.6 -82.3 142.5 9.5 7.3 16.8 79 112 A L E + F 0 97A 2 -8,-0.4 18,-0.2 -11,-0.4 -67,-0.2 -0.831 30.4 174.2 -85.1 105.3 10.7 9.3 19.7 80 113 A R E - 0 0 33 16,-2.4 -68,-2.6 -2,-0.9 -67,-0.3 0.940 62.5 -15.7 -78.7 -48.3 13.4 11.4 18.1 81 114 A Y E -BF 11 96A 54 15,-1.4 15,-3.2 -70,-0.3 2,-0.3 -0.969 55.0-152.5-147.1 160.9 14.2 13.5 21.2 82 115 A F E +BF 10 95A 11 -72,-1.9 -72,-3.0 -2,-0.3 2,-0.3 -0.973 19.1 164.5-131.8 155.0 12.9 14.5 24.6 83 116 A F E - F 0 94A 6 11,-1.8 11,-3.1 -2,-0.3 2,-0.3 -0.973 28.9-118.8-156.3 166.9 13.4 17.6 26.6 84 117 A Y E - F 0 93A 101 -76,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.803 24.6-175.6-110.1 152.2 12.0 19.5 29.6 85 118 A S E - F 0 92A 36 7,-1.8 7,-2.6 -2,-0.3 2,-0.3 -0.973 15.4-129.9-145.5 155.9 10.6 23.0 29.7 86 119 A S E + F 0 91A 102 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.801 20.1 173.7-115.3 151.4 9.3 25.4 32.4 87 120 A G 0 0 41 3,-2.1 -1,-0.1 -2,-0.3 4,-0.1 0.403 360.0 360.0-111.0-109.1 6.2 27.4 33.0 88 121 A E 0 0 190 3,-0.0 -2,-0.0 -2,-0.0 3,-0.0 1.000 360.0 360.0 62.6 360.0 5.4 29.3 36.3 89 ! 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 90 125 A E 0 0 118 0, 0.0 -3,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -81.6 5.5 24.4 36.1 91 126 A V E - F 0 86A 27 -35,-0.3 -35,-2.5 -5,-0.2 2,-0.3 -0.791 360.0-176.5-100.3 131.0 7.5 21.4 34.7 92 127 A Y E -EF 55 85A 66 -7,-2.6 -7,-1.8 -2,-0.4 2,-0.4 -0.923 19.2-143.5-124.2 146.9 6.8 19.8 31.3 93 128 A L E -EF 54 84A 0 -39,-3.2 -39,-2.4 -2,-0.3 2,-0.5 -0.901 19.1-156.2-105.6 138.7 8.2 16.9 29.4 94 129 A N E -EF 53 83A 5 -11,-3.1 -11,-1.8 -2,-0.4 2,-0.6 -0.967 5.3-160.6-123.9 120.9 8.3 17.3 25.7 95 130 A L E -EF 52 82A 1 -43,-3.3 -43,-2.8 -2,-0.5 2,-0.7 -0.905 8.2-153.5-102.1 116.6 8.4 14.3 23.3 96 131 A V E -EF 51 81A 1 -15,-3.2 -16,-2.4 -2,-0.6 -15,-1.4 -0.823 30.1-179.4 -90.6 115.9 9.7 15.2 19.8 97 132 A L E -EF 50 79A 20 -47,-3.9 -47,-2.5 -2,-0.7 -18,-0.2 -0.759 35.6 -84.0-122.1 157.5 8.1 12.7 17.5 98 133 A D E -E 49 0A 9 -20,-1.7 2,-0.4 -2,-0.3 -49,-0.2 -0.356 49.6-128.7 -47.2 130.6 7.9 11.6 13.9 99 134 A Y - 0 0 71 -51,-0.8 -51,-0.1 -50,-0.1 -1,-0.1 -0.766 27.4-176.7 -89.2 135.8 5.3 13.7 12.2 100 135 A V - 0 0 18 -2,-0.4 55,-0.1 1,-0.1 54,-0.1 -0.991 17.3-148.3-134.1 125.7 2.5 11.8 10.3 101 136 A P + 0 0 58 0, 0.0 2,-0.2 0, 0.0 54,-0.2 0.737 67.5 36.2 -70.9 -29.4 -0.1 13.8 8.4 102 137 A E E -H 154 0B 35 52,-2.4 52,-2.4 4,-0.0 2,-0.3 -0.659 59.8-142.2-122.6 170.8 -3.3 11.7 8.6 103 138 A T E > -H 153 0B 27 50,-0.3 4,-2.4 -2,-0.2 50,-0.2 -0.966 24.0-127.4-130.8 155.5 -5.3 9.4 10.8 104 139 A V H > S+ 0 0 2 48,-2.4 4,-3.4 45,-0.8 5,-0.3 0.890 113.0 57.6 -62.9 -40.1 -7.4 6.2 10.2 105 140 A Y H > S+ 0 0 68 44,-1.5 4,-2.1 47,-0.3 -1,-0.2 0.950 109.2 43.3 -51.0 -54.9 -10.2 7.9 12.0 106 141 A R H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 116.3 47.9 -60.4 -45.3 -10.2 10.9 9.6 107 142 A V H X S+ 0 0 18 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.932 112.1 47.5 -65.6 -47.4 -9.8 8.6 6.5 108 143 A A H X S+ 0 0 17 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.876 112.2 52.6 -59.3 -35.8 -12.6 6.2 7.6 109 144 A R H X S+ 0 0 81 -4,-2.1 4,-3.0 -5,-0.3 5,-0.2 0.864 105.0 53.1 -72.3 -38.1 -14.8 9.2 8.3 110 145 A H H X S+ 0 0 74 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.954 112.9 44.8 -59.3 -49.0 -14.2 10.7 4.8 111 146 A Y H <>S+ 0 0 73 -4,-2.0 5,-3.2 2,-0.2 4,-0.2 0.932 115.2 47.4 -60.1 -48.7 -15.3 7.4 3.2 112 147 A S H ><5S+ 0 0 52 -4,-2.6 3,-1.9 3,-0.2 -2,-0.2 0.941 111.6 49.5 -57.7 -52.4 -18.3 7.1 5.5 113 148 A R H 3<5S+ 0 0 162 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.854 113.5 47.7 -55.4 -38.3 -19.4 10.7 5.0 114 149 A A T 3<5S- 0 0 65 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.410 117.0-116.6 -82.8 0.2 -19.1 10.1 1.2 115 150 A K T < 5S+ 0 0 194 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.910 76.4 119.3 61.8 44.8 -21.0 6.8 1.5 116 151 A Q < - 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0 0 11 0, 0.0 3,-3.1 0, 0.0 4,-0.2 -0.467 27.3-104.6 -75.8 147.4 -44.3 36.3 42.7 682 380 B P G > S+ 0 0 102 0, 0.0 3,-1.7 0, 0.0 -2,-0.0 0.781 118.8 59.6 -37.8 -46.4 -47.1 37.8 45.0 683 381 B H G 3 S+ 0 0 98 1,-0.3 -36,-0.0 -37,-0.2 -3,-0.0 0.518 103.7 54.7 -64.3 -4.2 -49.3 34.6 44.6 684 382 B A G < 0 0 37 -3,-3.1 -1,-0.3 -38,-0.1 -22,-0.0 0.294 360.0 360.0-115.5 7.4 -46.5 32.6 46.2 685 383 B R < 0 0 182 -3,-1.7 -2,-0.1 -4,-0.2 -23,-0.0 0.681 360.0 360.0-101.7 360.0 -45.8 34.4 49.4