==== 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 09-JUL-04 1TZ7 . COMPND 2 MOLECULE: 4-ALPHA-GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR T.R.M.BARENDS,H.KORF,T.KAPER,M.J.E.C.VAN DER MAAREL,L.DIJKHU . 975 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.2 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 . 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 . 58 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 4 4 4 0 0 2 6 8 0 2 0 0 0 4 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 4 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 PARALLEL BRIDGES PER LADDER . 4 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 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 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 A G 0 0 119 0, 0.0 2,-0.2 0, 0.0 484,-0.0 0.000 360.0 360.0 360.0 133.6 27.4 69.7 83.4 2 -1 A S + 0 0 124 2,-0.0 2,-0.2 0, 0.0 483,-0.0 -0.591 360.0 142.0-133.2 71.7 26.6 67.0 80.8 3 0 A H - 0 0 107 -2,-0.2 2,-1.1 482,-0.1 0, 0.0 -0.668 62.1 -96.6-108.0 162.3 29.8 65.0 80.3 4 1 A M + 0 0 126 -2,-0.2 2,-0.4 2,-0.0 482,-0.1 -0.712 59.9 155.5 -75.7 100.1 30.4 61.3 79.7 5 2 A R + 0 0 43 -2,-1.1 2,-0.3 480,-0.1 430,-0.2 -0.896 12.6 171.8-136.5 104.1 31.3 60.2 83.3 6 3 A L E -a 435 0A 36 428,-3.0 430,-2.3 -2,-0.4 2,-0.3 -0.805 16.2-157.6-117.4 153.5 30.9 56.6 84.3 7 4 A A E +a 436 0A 0 479,-0.5 35,-2.8 -2,-0.3 36,-1.5 -0.924 16.7 169.7-125.2 153.7 31.7 54.5 87.3 8 5 A G E -ab 437 43A 0 428,-2.3 430,-2.6 -2,-0.3 2,-0.4 -0.938 27.7-117.8-152.3 173.9 32.2 50.8 87.7 9 6 A I E -ab 438 44A 0 34,-1.7 36,-2.6 -2,-0.3 2,-0.7 -0.967 16.4-139.5-120.6 137.3 33.3 47.9 89.8 10 7 A L E +ab 439 45A 5 428,-2.1 430,-2.1 -2,-0.4 2,-0.3 -0.869 43.5 145.2 -92.4 112.6 36.1 45.5 89.2 11 8 A L - 0 0 4 34,-2.5 2,-0.1 -2,-0.7 -2,-0.1 -0.891 39.6-138.9-154.0 116.2 34.9 42.0 90.3 12 9 A H > - 0 0 8 -2,-0.3 3,-1.4 34,-0.2 4,-0.4 -0.454 26.8-116.9 -74.9 149.6 35.6 38.6 88.8 13 10 A V G > S+ 0 0 0 1,-0.3 3,-1.5 34,-0.2 -1,-0.1 0.843 112.8 61.5 -54.7 -37.4 32.8 36.1 88.5 14 11 A T G 3 S+ 0 0 1 1,-0.3 9,-1.8 8,-0.1 -1,-0.3 0.792 95.3 62.0 -61.9 -28.8 34.6 33.7 90.9 15 12 A S G < S+ 0 0 2 -3,-1.4 451,-3.0 7,-0.1 -1,-0.3 0.604 77.2 111.5 -78.3 -12.4 34.5 36.3 93.7 16 13 A L S < S- 0 0 0 -3,-1.5 2,-1.4 -4,-0.4 13,-0.1 -0.337 80.2-117.4 -58.2 142.7 30.7 36.3 93.8 17 14 A P + 0 0 13 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.252 54.5 158.3 -83.4 50.6 29.3 34.8 97.0 18 15 A S - 0 0 0 -2,-1.4 3,-0.5 -4,-0.2 75,-0.0 -0.377 48.2-120.6 -75.6 156.4 27.5 31.8 95.3 19 16 A P S S+ 0 0 23 0, 0.0 74,-3.1 0, 0.0 -1,-0.1 0.403 93.8 75.2 -83.3 1.8 26.7 28.8 97.4 20 17 A Y S S- 0 0 3 2,-0.6 87,-0.1 72,-0.2 72,-0.1 -0.122 116.7 -83.3-116.1 36.7 28.6 26.1 95.4 21 18 A G S S+ 0 0 0 -3,-0.5 78,-2.9 72,-0.3 2,-0.3 0.243 108.5 37.1 94.3 -12.1 32.3 26.7 96.3 22 19 A I S S- 0 0 0 76,-0.2 -2,-0.6 71,-0.1 -7,-0.1 -0.980 92.4 -84.5-163.9 156.4 32.8 29.5 93.8 23 20 A G + 0 0 0 -9,-1.8 2,-0.2 -2,-0.3 -8,-0.1 -0.394 50.7 179.9 -68.1 148.1 31.1 32.4 92.1 24 21 A D - 0 0 2 -2,-0.1 50,-0.2 -11,-0.0 5,-0.2 -0.795 43.3 -93.5-143.7-177.8 28.8 31.7 89.1 25 22 A L S S+ 0 0 3 48,-1.9 49,-0.1 -2,-0.2 170,-0.1 0.131 93.4 87.1 -90.9 21.1 26.5 33.2 86.5 26 23 A G S >> S- 0 0 3 47,-0.1 3,-1.8 3,-0.1 4,-1.5 0.106 97.9 -30.2-102.8-147.0 23.4 32.6 88.6 27 24 A K H 3> S+ 0 0 129 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.756 131.1 50.6 -43.2 -44.1 21.4 34.4 91.3 28 25 A E H 3> S+ 0 0 21 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.771 106.0 55.3 -75.0 -27.1 24.4 36.2 92.9 29 26 A A H <> S+ 0 0 0 -3,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.901 111.0 45.8 -64.6 -42.7 25.6 37.6 89.6 30 27 A Y H X S+ 0 0 41 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.872 110.2 53.3 -69.0 -38.1 22.1 39.1 89.1 31 28 A R H X S+ 0 0 95 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.855 108.9 50.4 -62.7 -36.0 22.0 40.4 92.7 32 29 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.892 108.8 50.2 -71.0 -41.0 25.3 42.1 92.0 33 30 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.882 108.7 53.6 -61.5 -39.0 24.0 43.7 88.8 34 31 A D H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.869 108.6 49.8 -61.1 -38.4 21.0 44.9 90.8 35 32 A F H X S+ 0 0 9 -4,-1.5 4,-2.2 2,-0.2 6,-0.3 0.911 109.2 51.1 -67.8 -44.8 23.4 46.5 93.2 36 33 A L H X>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-1.6 0.959 113.8 45.2 -50.2 -55.7 25.3 48.2 90.3 37 34 A K H <5S+ 0 0 93 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.914 111.7 50.3 -59.6 -47.8 22.1 49.6 89.0 38 35 A E H <5S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.2 46.7 -61.7 -38.0 20.7 50.8 92.4 39 36 A C H <5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.771 117.7-111.2 -74.2 -28.4 24.0 52.6 93.2 40 37 A G T <5 + 0 0 1 -4,-1.6 448,-1.3 1,-0.3 -33,-0.3 0.521 63.0 152.7 103.3 10.7 24.2 54.2 89.7 41 38 A F < - 0 0 2 -5,-2.2 -1,-0.3 -6,-0.3 -33,-0.2 -0.413 25.5-173.8 -67.6 149.3 27.2 52.3 88.4 42 39 A S + 0 0 5 -35,-2.8 163,-3.0 444,-0.1 2,-0.4 0.399 60.4 62.9-121.1 -4.8 27.4 51.8 84.6 43 40 A L E -bc 8 205A 1 -36,-1.5 -34,-1.7 161,-0.2 2,-0.4 -0.967 48.4-174.7-132.4 141.1 30.4 49.5 84.3 44 41 A W E -bc 9 206A 0 161,-2.1 163,-2.9 -2,-0.4 2,-0.5 -0.976 12.4-161.6-131.4 119.8 31.4 46.0 85.4 45 42 A Q E +bc 10 207A 0 -36,-2.6 -34,-2.5 -2,-0.4 2,-0.3 -0.892 12.4 177.3-104.6 127.2 34.9 44.7 84.8 46 43 A V - 0 0 0 161,-2.4 -34,-0.2 -2,-0.5 3,-0.1 -0.731 27.9-115.1-114.0 167.3 35.6 41.0 84.9 47 44 A L - 0 0 2 -2,-0.3 -34,-0.2 1,-0.2 162,-0.2 -0.425 61.7 -55.8 -88.1 175.2 38.8 39.0 84.3 48 45 A P - 0 0 3 0, 0.0 -1,-0.2 0, 0.0 162,-0.1 -0.220 41.5-149.0 -54.7 142.4 39.0 36.5 81.4 49 46 A L + 0 0 5 160,-0.2 21,-1.5 17,-0.1 24,-0.1 0.241 53.3 129.6 -98.6 11.0 36.3 33.9 81.3 50 47 A N S S- 0 0 10 10,-0.3 19,-0.2 19,-0.2 20,-0.2 -0.267 71.5 -82.2 -70.2 153.7 38.5 31.2 79.7 51 48 A P - 0 0 8 0, 0.0 13,-0.5 0, 0.0 14,-0.3 -0.271 49.2-156.7 -58.5 135.7 38.8 27.7 81.2 52 49 A T - 0 0 16 11,-0.1 2,-0.3 -3,-0.1 19,-0.1 -0.677 6.0-159.5-111.6 166.8 41.3 27.4 84.1 53 50 A S > > - 0 0 35 9,-0.3 5,-2.5 -2,-0.2 3,-0.6 -0.983 31.7-120.2-144.7 153.9 43.2 24.5 85.6 54 51 A L G > 5S+ 0 0 62 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.864 111.7 63.2 -54.2 -38.8 45.0 23.5 88.8 55 52 A E G 3 5S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.835 104.1 44.7 -60.8 -35.8 48.2 23.1 86.8 56 53 A A G X 5S- 0 0 31 -3,-0.6 3,-1.1 6,-0.1 -1,-0.3 0.124 123.0-100.3 -99.1 19.7 48.3 26.8 85.8 57 54 A G T < 5 - 0 0 2 -3,-1.7 404,-0.2 1,-0.2 -3,-0.2 0.696 66.2 -75.2 69.5 19.9 47.5 28.1 89.4 58 55 A N T 3 - 0 0 3 -21,-1.5 3,-1.9 -2,-0.2 4,-0.1 -0.742 22.6-153.7 -91.9 115.9 35.1 28.3 82.2 71 68 A Y G > S+ 0 0 47 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.703 88.8 68.0 -69.0 -20.5 32.7 25.6 83.2 72 69 A V G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -20,-0.1 -50,-0.1 0.625 92.3 63.0 -72.8 -11.9 33.2 26.1 87.0 73 70 A L G < S+ 0 0 0 -3,-1.9 -48,-1.9 -24,-0.1 -1,-0.3 0.429 79.9 114.7 -88.1 -1.0 31.4 29.5 86.6 74 71 A I S < S- 0 0 2 -3,-1.4 114,-0.1 -50,-0.2 -48,-0.1 -0.498 71.2-125.0 -74.8 137.3 28.2 27.7 85.6 75 72 A D > - 0 0 18 -2,-0.2 3,-1.1 1,-0.1 4,-0.5 -0.748 17.7-162.7 -81.3 112.6 25.2 28.0 87.9 76 73 A P T 3> S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 3,-0.2 0.629 81.0 75.0 -73.7 -14.0 24.2 24.4 88.6 77 74 A E H 3> S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.723 88.7 59.8 -72.2 -21.7 20.7 25.5 89.8 78 75 A E H <> S+ 0 0 47 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.838 100.6 55.2 -69.6 -34.3 19.7 26.1 86.2 79 76 A L H 4>S+ 0 0 5 -4,-0.5 5,-2.6 -3,-0.2 6,-1.1 0.836 107.8 49.6 -64.7 -33.3 20.4 22.4 85.6 80 77 A L H ><5S+ 0 0 41 -4,-1.0 3,-1.1 4,-0.2 -2,-0.2 0.860 109.2 51.6 -70.7 -37.2 18.0 21.6 88.5 81 78 A E H 3<5S+ 0 0 147 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.799 108.4 51.1 -70.4 -29.3 15.3 23.9 86.9 82 79 A E T 3<5S- 0 0 106 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.219 114.9-114.9 -95.1 13.5 15.6 22.2 83.5 83 80 A D T < 5S+ 0 0 128 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.853 83.1 121.5 56.2 39.2 15.2 18.7 85.1 84 81 A L S > - 0 0 118 -2,-0.3 3,-0.9 -3,-0.1 4,-0.5 -0.455 30.8-110.5 -88.0 166.2 17.8 16.1 91.0 87 84 A E G >4 S+ 0 0 148 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.809 115.7 59.9 -66.5 -30.8 17.7 18.3 94.1 88 85 A R G 34 S+ 0 0 195 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.670 92.5 67.0 -75.8 -16.7 19.9 16.0 96.1 89 86 A D G <4 S+ 0 0 37 -3,-0.9 -1,-0.2 21,-0.0 -2,-0.2 0.774 84.3 89.7 -70.7 -27.8 22.7 16.4 93.6 90 87 A L << - 0 0 29 -3,-0.8 2,-0.3 -4,-0.5 -70,-0.0 -0.479 60.2-174.1 -71.8 145.3 23.0 20.1 94.7 91 88 A K - 0 0 104 -2,-0.2 2,-0.1 2,-0.0 -3,-0.0 -0.865 14.2-141.1-154.0 102.4 25.4 20.6 97.6 92 89 A R - 0 0 175 -2,-0.3 -72,-0.2 -72,-0.1 -2,-0.0 -0.355 12.2-165.0 -70.5 141.7 25.9 23.9 99.5 93 90 A F - 0 0 40 -74,-3.1 -72,-0.3 -2,-0.1 3,-0.1 -0.965 29.6-104.4-118.3 146.3 29.3 25.1 100.7 94 91 A P - 0 0 112 0, 0.0 2,-0.6 0, 0.0 -73,-0.1 -0.288 47.9 -88.2 -63.2 152.6 29.8 27.9 103.3 95 92 A L S S+ 0 0 85 372,-0.1 2,-0.2 -78,-0.1 3,-0.1 -0.508 80.3 108.2 -69.5 113.1 31.0 31.3 102.0 96 93 A G - 0 0 20 -2,-0.6 3,-0.1 1,-0.2 2,-0.1 -0.671 69.1 -24.4-151.1-147.6 34.8 31.3 101.9 97 94 A E S S- 0 0 74 -2,-0.2 367,-0.2 1,-0.1 -1,-0.2 -0.353 81.9 -79.2 -72.1 156.5 37.7 31.3 99.4 98 95 A A - 0 0 0 365,-2.7 2,-1.3 1,-0.1 -76,-0.2 -0.382 37.6-146.7 -61.6 124.8 37.2 29.8 95.9 99 96 A L > + 0 0 55 -78,-2.9 4,-2.4 1,-0.2 5,-0.3 -0.548 30.6 165.4 -95.6 69.2 37.4 26.0 96.2 100 97 A Y H > S+ 0 0 2 -2,-1.3 4,-2.4 1,-0.2 5,-0.2 0.916 70.1 51.8 -56.0 -54.0 38.9 25.4 92.8 101 98 A E H > S+ 0 0 97 1,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.901 116.5 40.6 -47.8 -48.5 40.0 21.8 93.4 102 99 A V H > S+ 0 0 55 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.831 113.4 51.1 -78.2 -31.8 36.6 20.7 94.6 103 100 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.4 0.809 102.9 59.8 -78.7 -29.5 34.5 22.7 92.0 104 101 A Y H X S+ 0 0 17 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.931 116.8 34.4 -55.2 -46.0 36.4 21.3 89.0 105 102 A E H X S+ 0 0 111 -4,-1.1 4,-1.5 -5,-0.2 -2,-0.2 0.891 121.3 46.6 -77.5 -42.7 35.4 17.8 90.2 106 103 A Y H X S+ 0 0 22 -4,-2.5 4,-2.0 2,-0.2 -3,-0.2 0.914 115.1 43.0 -71.7 -46.2 31.9 18.7 91.5 107 104 A K H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.809 111.9 55.9 -72.7 -29.4 30.7 20.8 88.6 108 105 A K H X S+ 0 0 76 -4,-0.8 4,-1.8 -5,-0.4 -1,-0.2 0.872 108.6 48.4 -64.4 -38.0 32.1 18.3 86.1 109 106 A E H X S+ 0 0 102 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.894 110.8 49.4 -71.3 -40.9 30.0 15.6 87.8 110 107 A L H X S+ 0 0 6 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.864 114.0 46.7 -62.8 -36.8 26.9 17.7 87.7 111 108 A L H X S+ 0 0 3 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.790 109.5 53.0 -79.4 -30.0 27.5 18.5 84.0 112 109 A E H X S+ 0 0 32 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.889 112.7 45.4 -67.1 -40.4 28.2 14.8 83.2 113 110 A K H X S+ 0 0 100 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.859 112.0 51.3 -71.1 -37.3 24.9 13.9 84.8 114 111 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.860 105.0 56.4 -68.3 -36.5 23.0 16.7 83.1 115 112 A F H >< S+ 0 0 30 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.816 104.2 54.2 -66.0 -31.8 24.4 15.6 79.7 116 113 A K H 3< S+ 0 0 161 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.901 108.5 47.8 -67.1 -42.5 22.9 12.1 80.2 117 114 A N T 3< S+ 0 0 78 -4,-1.4 2,-0.3 -33,-0.3 -1,-0.2 0.019 95.1 116.0 -87.7 28.6 19.4 13.5 80.9 118 115 A F < + 0 0 28 -3,-0.9 3,-0.1 1,-0.1 -3,-0.0 -0.848 26.4 155.2-127.5 159.8 19.7 15.7 77.8 119 116 A R + 0 0 184 -2,-0.3 2,-1.3 0, 0.0 3,-0.2 0.410 44.1 89.8-170.3 -51.1 17.7 15.6 74.9 120 117 A R >> + 0 0 119 1,-0.2 3,-0.8 2,-0.1 4,-0.6 -0.573 40.2 155.8 -94.2 71.2 17.4 18.7 72.8 121 118 A F H 3> + 0 0 83 -2,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.658 62.8 71.7 -76.6 -17.0 20.4 18.2 70.6 122 119 A E H 3> S+ 0 0 142 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.845 95.5 53.1 -63.9 -35.1 18.9 20.4 67.8 123 120 A L H <> S+ 0 0 73 -3,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.776 105.6 54.9 -70.4 -27.0 19.6 23.4 70.0 124 121 A L H X S+ 0 0 0 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.815 103.8 55.0 -71.1 -32.3 23.2 22.2 70.3 125 122 A E H X S+ 0 0 71 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.860 107.2 48.3 -73.3 -36.5 23.5 22.1 66.5 126 123 A D H X S+ 0 0 115 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.871 111.5 51.6 -67.6 -38.3 22.5 25.8 66.1 127 124 A F H X S+ 0 0 3 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.909 107.3 52.6 -63.2 -43.3 25.0 26.7 68.8 128 125 A L H < S+ 0 0 3 -4,-2.0 8,-0.2 1,-0.2 -1,-0.2 0.866 108.2 50.8 -62.4 -38.8 27.8 24.8 67.0 129 126 A K H >< S+ 0 0 142 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.929 108.5 51.4 -64.8 -46.5 27.0 26.7 63.7 130 127 A E H 3< S+ 0 0 86 -4,-2.0 3,-0.2 1,-0.3 -2,-0.2 0.874 122.7 31.5 -56.1 -39.6 27.2 30.1 65.5 131 128 A H T >X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 3,-1.6 -0.006 80.2 126.5-111.3 27.1 30.6 29.2 67.1 132 129 A S H <> + 0 0 50 -3,-1.4 4,-0.5 1,-0.3 5,-0.3 0.782 62.5 68.7 -57.2 -31.0 31.9 27.0 64.2 133 130 A Y H 34 S+ 0 0 65 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.725 124.2 3.2 -66.7 -23.3 35.1 29.1 63.9 134 131 A W H <> S+ 0 0 12 -3,-1.6 4,-1.9 3,-0.1 -2,-0.2 0.616 119.2 67.1-128.5 -30.1 36.4 27.9 67.4 135 132 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.828 94.7 55.7 -80.1 -34.6 34.1 25.3 69.0 136 133 A R H X S+ 0 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B I E -m 497 0E 0 -430,-2.6 -428,-2.3 -2,-0.5 2,-0.2 -0.882 22.3-127.3-100.5 126.9 35.4 52.9 8.4 927 436 B Q E >> -m 498 0E 3 -2,-0.5 4,-1.5 -430,-0.2 3,-1.4 -0.557 23.6-125.2 -66.9 136.6 36.9 49.6 9.5 928 437 B M H 3> S+ 0 0 0 -430,-2.2 4,-2.0 1,-0.3 5,-0.2 0.858 109.2 60.4 -56.1 -38.5 34.4 47.9 11.7 929 438 B Q H 34>S+ 0 0 5 -431,-0.3 5,-2.7 1,-0.2 -1,-0.3 0.821 104.6 50.1 -59.0 -32.9 37.0 47.4 14.5 930 439 B D H X45S+ 0 0 2 -3,-1.4 3,-0.8 3,-0.2 -1,-0.2 0.865 107.1 53.0 -73.6 -38.9 37.4 51.3 14.6 931 440 B L H 3<5S+ 0 0 6 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 113.5 44.6 -59.3 -36.4 33.6 51.8 14.9 932 441 B L T 3<5S- 0 0 7 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.429 111.5-124.5 -91.3 -0.8 33.7 49.4 17.8 933 442 B N T < 5 + 0 0 39 -3,-0.8 2,-0.3 -5,-0.2 -3,-0.2 0.926 51.7 164.1 59.8 49.6 36.9 51.1 19.3 934 443 B L < - 0 0 28 -5,-2.7 -53,-0.6 1,-0.1 -52,-0.6 -0.687 24.6-140.7-104.3 154.5 38.9 47.8 19.4 935 444 B G > - 0 0 9 -2,-0.3 3,-1.9 -54,-0.2 -53,-0.1 0.096 48.1 -55.7 -98.9-154.7 42.6 47.4 19.9 936 445 B N G > S+ 0 0 48 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.740 123.1 70.5 -62.0 -25.7 45.5 45.2 18.5 937 446 B E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -59,-0.0 -3,-0.0 0.729 96.5 53.2 -63.5 -22.2 43.6 42.1 19.6 938 447 B A G < S+ 0 0 1 -3,-1.9 -1,-0.3 14,-0.1 2,-0.2 0.208 76.1 135.5-100.9 14.3 41.0 42.7 16.8 939 448 B R < - 0 0 58 -3,-1.6 12,-0.2 1,-0.1 13,-0.2 -0.463 43.8-155.8 -64.1 128.6 43.6 43.0 14.0 940 449 B M + 0 0 6 -63,-0.5 10,-3.3 1,-0.2 11,-0.5 0.951 69.7 7.2 -73.9 -51.1 42.4 41.1 10.9 941 450 B N - 0 0 15 -66,-1.8 -1,-0.2 -64,-0.3 7,-0.0 -0.996 50.7-158.4-140.2 141.0 45.8 40.4 9.2 942 451 B Y > - 0 0 94 -2,-0.3 3,-1.4 3,-0.2 -65,-0.1 -0.917 31.0-133.6-115.5 99.9 49.5 40.9 10.0 943 452 B P T 3 S+ 0 0 53 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.213 88.8 27.6 -56.4 141.4 51.4 40.9 6.7 944 453 B G T 3 S+ 0 0 73 1,-0.2 -203,-0.1 2,-0.0 0, 0.0 -0.283 98.0 99.4 98.4 -45.5 54.5 38.8 6.7 945 454 B R < - 0 0 147 -3,-1.4 -1,-0.2 1,-0.1 -3,-0.2 -0.628 61.0-156.8 -78.0 129.0 53.1 36.4 9.3 946 455 B P + 0 0 88 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.838 67.1 36.9 -76.0 -34.7 51.8 33.2 7.7 947 456 B F S S+ 0 0 139 1,-0.1 3,-0.1 -401,-0.0 -5,-0.1 -0.810 90.1 47.8-128.0 157.2 49.3 32.1 10.4 948 457 B G S S+ 0 0 60 1,-0.3 3,-0.4 -2,-0.3 -1,-0.1 0.308 82.5 122.3 101.9 -5.5 46.8 33.5 13.0 949 458 B N + 0 0 12 -404,-0.2 -1,-0.3 1,-0.2 -8,-0.2 -0.380 51.9 29.5 -95.2 163.6 45.1 35.8 10.5 950 459 B W S S+ 0 0 7 -10,-3.3 -1,-0.2 -75,-0.2 -9,-0.1 0.668 85.3 110.6 72.7 19.9 41.6 36.4 9.2 951 460 B R + 0 0 52 -11,-0.5 -365,-2.6 -3,-0.4 -11,-0.1 0.632 36.1 117.6-101.6 -18.2 40.0 35.2 12.5 952 461 B W + 0 0 6 -12,-0.2 2,-0.3 -13,-0.2 -367,-0.1 -0.266 37.9 176.6 -62.6 134.8 38.5 38.3 14.0 953 462 B R - 0 0 1 -443,-0.1 2,-0.2 -448,-0.0 -449,-0.2 -0.976 37.9 -99.3-132.1 150.6 34.8 38.4 14.5 954 463 B I + 0 0 0 -451,-2.9 -370,-0.1 -2,-0.3 3,-0.0 -0.496 38.5 172.4 -58.1 130.8 32.2 40.7 16.0 955 464 B K + 0 0 101 -2,-0.2 2,-0.2 -372,-0.1 -1,-0.1 0.433 55.3 61.9-119.3 -8.3 31.4 39.5 19.5 956 465 B E S S- 0 0 79 0, 0.0 2,-1.3 0, 0.0 3,-0.1 -0.667 96.1 -87.6-119.3 168.6 29.3 42.4 20.7 957 466 B D > - 0 0 81 -2,-0.2 3,-1.2 1,-0.2 4,-0.2 -0.655 42.5-179.0 -77.8 94.4 26.0 44.2 19.8 958 467 B Y G > + 0 0 3 -2,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.607 68.1 77.7 -73.3 -13.1 27.3 46.6 17.2 959 468 B T G > S+ 0 0 40 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.643 76.1 75.3 -75.7 -13.7 23.9 48.2 16.6 960 469 B Q G < S+ 0 0 144 -3,-1.2 3,-0.5 1,-0.3 4,-0.3 0.750 88.3 62.2 -62.1 -23.5 24.2 50.2 19.9 961 470 B K G <> S+ 0 0 70 -3,-1.3 4,-2.3 1,-0.2 5,-0.3 0.434 78.4 96.4 -78.6 1.4 26.6 52.4 17.9 962 471 B K H <> S+ 0 0 47 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.860 79.9 46.0 -71.5 -39.6 23.8 53.4 15.5 963 472 B E H > S+ 0 0 118 -3,-0.5 4,-1.6 -4,-0.2 -1,-0.2 0.878 114.8 48.9 -70.5 -37.5 22.7 56.7 17.0 964 473 B F H > S+ 0 0 73 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.957 117.6 37.9 -66.0 -51.9 26.3 57.9 17.4 965 474 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.874 112.7 57.1 -73.3 -37.5 27.5 57.1 13.9 966 475 B K H X S+ 0 0 56 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.913 107.0 50.2 -56.8 -45.4 24.2 58.1 12.2 967 476 B K H X S+ 0 0 147 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.916 110.6 49.8 -57.6 -45.4 24.5 61.6 13.7 968 477 B L H X S+ 0 0 3 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.909 107.2 52.8 -63.6 -45.2 28.1 61.8 12.4 969 478 B L H <>S+ 0 0 0 -4,-2.6 5,-3.5 1,-0.2 6,-0.9 0.895 112.5 46.3 -58.2 -40.7 27.3 60.8 8.9 970 479 B G H ><5S+ 0 0 33 -4,-1.8 3,-1.0 4,-0.2 -1,-0.2 0.871 108.2 55.2 -70.3 -39.1 24.6 63.5 8.8 971 480 B I H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.6 39.9 -60.5 -38.3 26.8 66.2 10.3 972 481 B Y T 3<5S- 0 0 43 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.218 117.0-110.3-103.9 15.1 29.4 65.6 7.5 973 482 B G T < 5S+ 0 0 47 -3,-1.0 -3,-0.2 -5,-0.1 -480,-0.1 0.802 88.4 111.1 70.4 32.3 26.9 65.2 4.7 974 483 B R < + 0 0 2 -5,-3.5 2,-0.5 -6,-0.2 -479,-0.5 0.232 43.8 109.8-119.3 9.5 27.4 61.5 4.1 975 484 B E 0 0 92 -6,-0.9 -446,-0.1 1,-0.2 -447,-0.1 -0.774 360.0 360.0 -87.3 126.8 24.1 60.2 5.4 976 485 B V 0 0 125 -448,-1.5 -1,-0.2 -2,-0.5 -447,-0.1 0.568 360.0 360.0-126.1 360.0 21.7 59.0 2.7