==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-JUN-10 3NG0 . COMPND 2 MOLECULE: GLUTAMINE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR L.SAELICES,D.CASCIO,F.J.FLORENCIO,M.I.MURO-PASTOR . 465 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 29 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 0 2 0 0 0 2 0 0 1 1 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 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 0 PARALLEL BRIDGES PER LADDER . 4 5 2 2 1 1 1 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 . 1 1 3 0 0 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 3 A R 0 0 132 0, 0.0 72,-0.2 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 151.7 9.4 -41.5 53.4 2 4 A T > - 0 0 63 70,-0.2 4,-2.2 69,-0.1 3,-0.4 -0.830 360.0-101.7-118.9 162.6 13.1 -42.5 53.1 3 5 A P H > S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.876 124.6 47.6 -48.2 -42.2 16.5 -41.2 54.5 4 6 A Q H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.847 108.7 52.2 -67.6 -40.6 17.2 -39.6 51.1 5 7 A E H > S+ 0 0 110 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.914 111.0 48.5 -62.8 -41.4 13.7 -38.0 50.8 6 8 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.891 112.6 48.6 -62.7 -44.0 14.2 -36.4 54.3 7 9 A L H X S+ 0 0 44 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.866 112.0 48.4 -66.1 -34.7 17.6 -35.1 53.2 8 10 A K H X S+ 0 0 102 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.868 109.0 55.1 -69.8 -39.3 16.1 -33.7 50.0 9 11 A W H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.945 108.2 47.4 -56.4 -53.7 13.4 -32.1 52.1 10 12 A I H <>S+ 0 0 8 -4,-2.2 5,-1.5 1,-0.2 4,-0.5 0.843 115.7 46.0 -57.3 -39.8 16.0 -30.3 54.3 11 13 A Q H <5S+ 0 0 128 -4,-1.6 3,-0.4 3,-0.2 -2,-0.2 0.923 115.0 44.8 -71.5 -47.7 17.9 -29.1 51.1 12 14 A D H <5S+ 0 0 95 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.871 121.1 37.6 -65.0 -43.4 14.8 -27.9 49.1 13 15 A E T <5S- 0 0 140 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.381 104.4-126.3 -91.3 0.4 13.2 -26.0 52.1 14 16 A N T 5 - 0 0 108 -4,-0.5 2,-0.4 -3,-0.4 -3,-0.2 0.873 37.7-177.7 52.2 45.3 16.5 -24.7 53.6 15 17 A I < - 0 0 3 -5,-1.5 -1,-0.2 -6,-0.2 70,-0.1 -0.627 10.8-173.7 -74.0 121.0 15.8 -26.1 57.0 16 18 A K + 0 0 59 68,-0.7 20,-2.9 -2,-0.4 2,-0.4 0.809 62.6 49.4 -88.2 -35.3 18.7 -25.1 59.3 17 19 A I E -Ab 35 85A 54 67,-0.8 69,-1.9 18,-0.2 2,-0.4 -0.895 59.3-161.8-116.2 139.5 17.8 -27.1 62.5 18 20 A I E -Ab 34 86A 0 16,-3.1 16,-2.6 -2,-0.4 2,-0.7 -0.972 8.9-156.4-115.0 124.1 16.8 -30.8 63.1 19 21 A D E -Ab 33 87A 3 67,-3.2 69,-2.0 -2,-0.4 2,-0.6 -0.891 7.7-162.2-105.0 107.7 15.1 -31.7 66.4 20 22 A L E -Ab 32 88A 0 12,-2.7 12,-1.9 -2,-0.7 2,-0.3 -0.820 8.8-165.7 -96.2 121.9 15.5 -35.4 67.3 21 23 A K E +Ab 31 89A 4 67,-3.2 69,-2.9 -2,-0.6 2,-0.3 -0.866 13.7 164.2-109.4 140.3 13.0 -36.7 69.9 22 24 A F E -A 30 0A 8 8,-2.4 8,-3.4 -2,-0.3 2,-0.2 -0.978 31.6-116.7-154.1 145.9 13.2 -40.0 71.9 23 25 A I E -A 29 0A 3 67,-0.3 6,-0.2 -2,-0.3 83,-0.2 -0.523 21.7-141.1 -83.8 150.0 11.4 -41.4 75.0 24 26 A D - 0 0 2 4,-1.2 33,-0.1 -2,-0.2 -1,-0.1 -0.427 37.2 -90.1 -96.4 177.5 13.1 -42.3 78.3 25 27 A T S S+ 0 0 1 31,-1.1 346,-0.2 1,-0.2 32,-0.1 0.960 123.3 45.8 -57.8 -56.3 12.2 -45.3 80.5 26 28 A P S S- 0 0 11 0, 0.0 -1,-0.2 0, 0.0 342,-0.1 0.837 125.4 -93.4 -58.5 -34.0 9.5 -43.6 82.8 27 29 A G S S+ 0 0 8 1,-0.2 2,-0.5 341,-0.1 -2,-0.1 0.554 77.0 133.7 131.9 18.9 7.8 -42.0 79.8 28 30 A I - 0 0 90 340,-0.1 -4,-1.2 -6,-0.0 -1,-0.2 -0.850 54.5-121.5-100.5 126.7 9.2 -38.4 79.2 29 31 A W E -A 23 0A 40 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.463 30.0-164.3 -68.0 128.3 10.1 -37.2 75.7 30 32 A Q E -A 22 0A 51 -8,-3.4 -8,-2.4 -2,-0.2 2,-0.3 -0.788 7.1-167.6-110.4 155.0 13.8 -36.1 75.5 31 33 A H E -A 21 0A 122 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.992 20.5-172.1-149.3 157.4 15.4 -34.1 72.7 32 34 A C E -A 20 0A 55 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.3 -0.979 19.5-144.0-145.2 132.9 18.5 -32.8 71.0 33 35 A S E -A 19 0A 62 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.806 16.4-170.2-101.8 142.0 18.8 -30.2 68.2 34 36 A F E -A 18 0A 32 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.1 -0.976 28.4-110.8-132.7 145.8 21.4 -30.3 65.4 35 37 A Y E > -A 17 0A 108 -2,-0.3 3,-2.4 -18,-0.2 4,-0.3 -0.495 45.3-106.0 -69.8 141.4 22.5 -28.0 62.6 36 38 A Y G > S+ 0 0 89 -20,-2.9 3,-1.6 1,-0.3 -1,-0.1 0.747 115.5 62.9 -40.3 -43.0 21.4 -29.4 59.2 37 39 A D G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -21,-0.2 -21,-0.0 0.579 90.4 69.4 -64.1 -14.0 24.9 -30.6 58.1 38 40 A Q G < S+ 0 0 112 -3,-2.4 2,-0.5 1,-0.0 -1,-0.3 0.635 86.7 76.0 -78.9 -18.6 25.1 -33.0 61.0 39 41 A L < + 0 0 10 -3,-1.6 2,-0.2 -4,-0.3 -1,-0.0 -0.893 58.9 147.9-103.3 118.3 22.4 -35.3 59.5 40 42 A D >> - 0 0 83 -2,-0.5 3,-1.3 0, 0.0 4,-0.6 -0.724 65.6 -77.9-132.8-178.6 23.6 -37.5 56.6 41 43 A E G >4 S+ 0 0 80 1,-0.2 3,-1.0 -2,-0.2 4,-0.1 0.854 127.5 58.8 -54.0 -39.4 22.7 -41.0 55.2 42 44 A N G >>>S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 3,-1.2 0.678 91.0 68.3 -66.9 -21.4 24.7 -42.6 58.1 43 45 A S G <45S+ 0 0 6 -3,-1.3 -1,-0.2 1,-0.2 5,-0.2 0.804 95.6 57.6 -66.0 -30.6 22.6 -40.9 60.8 44 46 A F G <<5S+ 0 0 20 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.429 123.9 19.8 -80.1 -3.1 19.7 -43.2 59.7 45 47 A T T <45S+ 0 0 78 -3,-1.2 -2,-0.2 -4,-0.1 -3,-0.1 0.576 134.2 30.5-126.1 -67.6 21.8 -46.4 60.3 46 48 A E T <5S- 0 0 135 -4,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.772 99.6-148.4 -69.1 -30.0 24.8 -45.7 62.7 47 49 A G < - 0 0 14 -5,-1.1 22,-0.2 20,-0.1 -1,-0.1 -0.064 17.2 -72.3 83.5 174.2 22.9 -43.0 64.6 48 50 A I E -D 68 0B 16 20,-1.8 20,-2.4 -5,-0.2 18,-0.0 -0.912 51.3-111.8-110.3 130.1 24.1 -39.8 66.4 49 51 A P E +D 67 0B 90 0, 0.0 2,-0.3 0, 0.0 18,-0.2 -0.168 42.7 151.6 -65.7 157.0 25.9 -39.9 69.8 50 52 A F E -D 66 0B 37 16,-1.2 16,-1.9 14,-0.1 2,-0.8 -0.928 51.4 -80.4-165.1 174.4 24.7 -38.8 73.2 51 53 A D E > -D 65 0B 66 -2,-0.3 3,-0.9 14,-0.2 4,-0.2 -0.817 32.6-175.0 -92.7 106.4 25.1 -39.5 76.9 52 54 A G T 3 S+ 0 0 0 12,-2.0 7,-1.2 -2,-0.8 6,-0.2 0.460 77.9 69.6 -77.6 -3.6 23.0 -42.6 77.8 53 55 A S T 3 S+ 0 0 32 1,-0.2 -1,-0.2 5,-0.2 8,-0.2 0.561 92.2 55.4 -92.0 -10.3 23.9 -42.1 81.5 54 56 A S S < S+ 0 0 94 -3,-0.9 2,-0.5 10,-0.1 -1,-0.2 0.454 88.9 90.6 -98.7 -4.3 21.9 -38.9 82.1 55 57 A I S > S- 0 0 20 -4,-0.2 3,-1.4 -3,-0.1 2,-0.1 -0.829 91.9-105.6 -94.5 126.1 18.7 -40.6 80.8 56 58 A R T 3 S+ 0 0 100 -2,-0.5 -31,-1.1 1,-0.2 -2,-0.1 -0.342 97.9 8.0 -60.1 124.0 16.7 -42.2 83.7 57 59 A G T 3 S+ 0 0 24 1,-0.1 -1,-0.2 -2,-0.1 -4,-0.1 0.603 110.8 91.7 81.5 18.6 16.9 -46.0 83.8 58 60 A W S < S- 0 0 18 -3,-1.4 -5,-0.2 1,-0.3 -1,-0.1 0.221 75.1 -5.0-110.9-131.0 19.6 -46.5 81.2 59 61 A K - 0 0 29 -7,-1.2 -1,-0.3 5,-0.2 2,-0.3 -0.150 59.9-120.2 -67.9 158.6 23.4 -46.7 81.0 60 62 A A > - 0 0 54 3,-0.1 3,-2.4 1,-0.1 -8,-0.1 -0.753 35.2-103.2 -96.4 148.0 25.9 -46.3 84.0 61 63 A I G > S+ 0 0 145 -2,-0.3 3,-1.0 1,-0.3 4,-0.2 0.756 120.5 57.1 -39.7 -40.2 28.6 -43.5 83.8 62 64 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.732 117.7 32.1 -67.0 -27.4 31.4 -46.1 82.9 63 65 A E G < S+ 0 0 119 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 -0.313 84.9 136.2-124.6 47.4 29.4 -47.3 79.8 64 66 A S < + 0 0 25 -3,-1.0 -12,-2.0 -5,-0.1 -5,-0.2 0.868 27.4 102.4 -64.4 -54.4 27.7 -44.0 78.8 65 67 A D E +D 51 0B 112 -14,-0.2 31,-0.3 -4,-0.2 2,-0.2 -0.094 43.8 163.0 -43.9 125.3 27.9 -43.5 75.0 66 68 A M E -D 50 0B 1 -16,-1.9 -16,-1.2 28,-0.1 2,-0.4 -0.803 28.8-122.0-135.7 174.8 24.7 -44.3 73.1 67 69 A C E -DE 49 93B 14 26,-1.7 26,-2.5 -2,-0.2 2,-0.6 -0.993 5.7-146.3-130.9 138.8 23.2 -43.6 69.6 68 70 A M E -DE 48 92B 0 -20,-2.4 -20,-1.8 -2,-0.4 24,-0.2 -0.885 14.8-168.5 -98.8 116.7 20.0 -41.8 68.4 69 71 A V E - E 0 91B 7 22,-3.4 22,-1.7 -2,-0.6 -25,-0.1 -0.857 14.0-146.8-109.7 101.5 18.6 -43.4 65.1 70 72 A P E - E 0 90B 4 0, 0.0 20,-0.3 0, 0.0 -23,-0.1 -0.351 8.8-130.0 -68.9 147.2 15.8 -41.2 63.6 71 73 A D > - 0 0 39 18,-2.8 3,-1.7 1,-0.1 18,-0.4 -0.854 8.5-151.4 -94.3 117.4 12.8 -42.6 61.7 72 74 A P G > S+ 0 0 17 0, 0.0 3,-1.1 0, 0.0 -70,-0.2 0.790 93.5 65.1 -58.8 -29.5 12.3 -40.9 58.3 73 75 A N G 3 S+ 0 0 107 1,-0.2 -71,-0.1 -72,-0.2 15,-0.0 0.587 96.9 57.5 -68.9 -11.8 8.5 -41.6 58.4 74 76 A T G < S+ 0 0 22 -3,-1.7 -1,-0.2 15,-0.2 13,-0.1 0.543 75.9 127.3 -95.5 -11.1 8.2 -39.3 61.5 75 77 A A < + 0 0 2 -3,-1.1 2,-0.3 -4,-0.3 13,-0.2 -0.272 25.3 134.4 -57.6 123.8 9.6 -36.1 59.8 76 78 A T E -C 87 0A 22 11,-1.1 11,-3.4 -2,-0.1 2,-0.4 -0.929 60.5 -87.0-155.0 167.8 7.4 -33.0 60.1 77 79 A I E -C 86 0A 71 -2,-0.3 9,-0.2 125,-0.3 3,-0.0 -0.721 37.6-130.5 -84.1 128.2 8.0 -29.3 60.9 78 80 A D > - 0 0 1 7,-2.5 3,-1.3 -2,-0.4 7,-0.5 -0.724 15.6-157.5 -76.8 111.7 7.8 -28.7 64.7 79 81 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.770 84.6 69.3 -65.5 -21.8 5.3 -25.7 64.8 80 82 A F T 3 S+ 0 0 61 5,-0.1 2,-0.5 -3,-0.0 3,-0.1 0.433 81.2 88.7 -76.6 -1.1 6.6 -24.6 68.3 81 83 A C < - 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0 0 10 -2,-1.9 10,-2.0 70,-0.1 9,-0.3 -0.985 57.3-127.7-148.9 157.2 -14.4 -58.1 84.3 335 337 A Y E +k 344 0C 7 -2,-0.3 59,-1.7 55,-0.2 2,-0.3 -0.711 32.5 154.6-103.7 154.3 -15.6 -57.6 80.7 336 338 A S E -k 345 0C 0 8,-0.9 10,-2.6 -2,-0.3 2,-0.4 -0.948 40.5-107.7-168.9 158.3 -19.0 -56.3 79.6 337 339 A Q E S-k 346 0C 72 -2,-0.3 2,-0.5 8,-0.2 3,-0.1 -0.850 98.2 -7.1-101.6 132.2 -20.7 -54.5 76.7 338 340 A G S S+ 0 0 32 8,-1.3 2,-0.5 -2,-0.4 -1,-0.1 -0.001 97.4 126.8 78.5 -29.5 -21.8 -50.9 77.2 339 341 A N > - 0 0 27 -2,-0.5 3,-0.8 1,-0.1 -1,-0.2 -0.503 39.2-172.3 -67.5 111.1 -20.9 -51.0 80.9 340 342 A R T 3 S+ 0 0 148 -2,-0.5 -1,-0.1 1,-0.2 5,-0.1 0.100 80.5 65.7 -90.8 20.5 -18.5 -48.1 81.8 341 343 A S T 3 S+ 0 0 26 55,-0.2 -9,-0.5 3,-0.1 -10,-0.3 0.438 84.8 90.1-115.1 -8.9 -17.9 -49.5 85.3 342 344 A A S < S- 0 0 6 -3,-0.8 -9,-0.1 -13,-0.1 -7,-0.1 -0.616 80.3-125.8 -89.6 147.7 -16.1 -52.7 84.1 343 345 A S S S+ 0 0 0 -11,-1.7 18,-3.3 -9,-0.3 2,-0.5 0.939 102.7 36.1 -55.5 -52.9 -12.3 -53.0 83.6 344 346 A V E S-kL 335 360C 0 -10,-2.0 -8,-0.9 16,-0.2 2,-0.4 -0.904 77.5-170.1-106.9 125.1 -12.8 -54.3 80.0 345 347 A R E -kL 336 359C 21 14,-2.2 14,-3.3 -2,-0.5 -8,-0.2 -0.948 17.1-149.2-116.4 138.4 -15.6 -52.7 78.0 346 348 A I E -k 337 0C 2 -10,-2.6 -8,-1.3 -2,-0.4 12,-0.2 -0.937 27.3-140.5-102.7 102.4 -16.9 -54.0 74.6 347 349 A P - 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0 0 75 -2,-0.6 2,-0.3 -10,-0.3 -83,-0.2 -0.956 52.4-110.9-155.8 168.7 -12.7 -54.2 69.9 358 360 A L E -I 273 0C 0 -85,-1.8 -85,-1.9 -2,-0.3 2,-0.6 -0.858 21.0-145.1-106.5 145.2 -12.1 -54.3 73.7 359 361 A E E -IL 272 345C 2 -14,-3.3 -14,-2.2 -2,-0.3 2,-0.7 -0.919 4.8-158.0-114.0 103.8 -11.6 -51.2 75.8 360 362 A F E -IL 271 344C 0 -89,-2.1 -89,-2.8 -2,-0.6 -16,-0.2 -0.745 13.4-176.9 -78.7 111.7 -9.1 -51.7 78.7 361 363 A R + 0 0 24 -18,-3.3 -92,-0.2 -2,-0.7 -1,-0.2 0.715 60.2 82.2 -88.2 -22.6 -10.2 -48.9 81.0 362 364 A C S S+ 0 0 0 -19,-0.4 -1,-0.1 -94,-0.1 -92,-0.1 0.793 70.6 94.9 -51.8 -44.3 -7.6 -49.3 83.8 363 365 A P - 0 0 0 0, 0.0 -94,-3.1 0, 0.0 2,-0.3 -0.080 52.6-164.8 -59.4 156.5 -4.7 -47.3 82.2 364 366 A D > - 0 0 0 -51,-1.9 3,-1.2 -96,-0.3 -96,-0.2 -0.861 35.9-101.2-131.7 163.6 -3.9 -43.7 82.7 365 367 A A T 3 S+ 0 0 1 -109,-0.3 -109,-0.1 -98,-0.3 -108,-0.1 0.187 105.3 81.4 -74.3 14.0 -1.6 -41.2 80.8 366 368 A T T 3 S+ 0 0 32 -53,-0.2 -1,-0.2 2,-0.1 -52,-0.1 0.550 77.2 101.5 -89.7 -11.4 1.4 -41.4 83.2 367 369 A S S < S- 0 0 0 -3,-1.2 -54,-0.1 -54,-0.4 -55,-0.1 -0.323 84.5-115.2 -73.2 153.7 2.3 -44.6 81.4 368 370 A N > - 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0 0 118 -4,-0.6 -3,-0.2 -3,-0.2 -4,-0.2 0.018 30.3-159.7-119.0 71.9 -6.4 -70.2 76.0 388 390 A I - 0 0 35 -6,-0.4 -88,-0.4 1,-0.1 -87,-0.2 0.080 11.5-138.5 -32.4 113.9 -7.5 -68.2 79.1 389 391 A D - 0 0 111 1,-0.1 -1,-0.1 -89,-0.1 3,-0.1 -0.686 6.3-152.1 -77.4 118.5 -11.3 -68.1 79.7 390 392 A P - 0 0 23 0, 0.0 -55,-0.2 0, 0.0 2,-0.2 0.563 37.7-126.9 -68.8 -7.7 -12.2 -64.5 80.7 391 393 A G - 0 0 28 -57,-0.1 -91,-0.1 2,-0.0 -57,-0.0 -0.557 46.8 -37.2 90.9-158.9 -15.1 -65.9 82.7 392 394 A E - 0 0 158 -2,-0.2 -57,-0.2 -3,-0.1 -3,-0.0 -0.781 66.9-101.5-103.8 142.8 -18.7 -64.6 82.3 393 395 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 -57,-0.2 -0.285 23.0-140.8 -64.4 149.4 -19.6 -60.9 81.6 394 396 A L - 0 0 75 -59,-1.7 2,-0.7 2,-0.1 -55,-0.1 -0.932 18.7-178.7-112.2 100.8 -20.9 -58.7 84.4 395 397 A D + 0 0 95 -2,-0.6 2,-0.3 -59,-0.1 -59,-0.1 -0.557 47.6 96.8-100.7 62.8 -23.7 -56.5 83.0 396 398 A V - 0 0 93 -2,-0.7 -55,-0.2 1,-0.2 -2,-0.1 -0.896 63.5-136.0-141.7 167.2 -24.5 -54.5 86.3 397 399 A D 0 0 103 1,-0.3 -1,-0.2 -2,-0.3 -3,-0.0 0.780 360.0 360.0 -88.5 -98.9 -23.7 -51.1 88.0 398 400 A I 0 0 180 0, 0.0 -1,-0.3 0, 0.0 -57,-0.0 -0.794 360.0 360.0-133.9 360.0 -22.9 -51.5 91.8 399 ! 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 0.0 400 407 A E > 0 0 219 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -58.1 -20.9 -60.0 96.7 401 408 A L T 3 + 0 0 96 1,-0.2 3,-0.1 2,-0.2 0, 0.0 0.451 360.0 67.2 -80.3 -3.5 -18.4 -57.4 95.2 402 409 A A T 3 S+ 0 0 95 1,-0.2 -1,-0.2 4,-0.0 4,-0.1 0.527 83.1 72.7 -91.3 -12.6 -15.7 -59.7 96.7 403 410 A K S < S+ 0 0 190 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.785 87.9 72.8 -70.8 -31.8 -16.6 -62.5 94.3 404 411 A I S S- 0 0 25 -4,-0.3 -70,-0.1 -3,-0.1 -71,-0.0 -0.722 94.1-112.5 -88.1 128.3 -15.0 -60.5 91.4 405 412 A P - 0 0 87 0, 0.0 -72,-2.3 0, 0.0 2,-0.3 -0.337 36.0-141.3 -62.4 143.6 -11.1 -60.3 91.4 406 413 A S B -T 332 0H 69 -74,-0.2 -74,-0.2 -4,-0.1 3,-0.1 -0.750 8.2-113.5-110.7 156.6 -9.7 -56.8 92.1 407 414 A T - 0 0 11 -76,-1.9 -1,-0.1 -2,-0.3 -76,-0.0 -0.396 52.9 -78.5 -73.4 158.4 -6.8 -54.6 90.7 408 415 A P - 0 0 15 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 -0.226 32.0-144.1 -59.4 150.5 -3.8 -53.7 93.0 409 416 A G S S+ 0 0 64 -3,-0.1 2,-0.3 -85,-0.0 3,-0.1 0.406 76.9 25.0 -95.9 -2.8 -4.5 -50.9 95.5 410 417 A S S > S- 0 0 39 1,-0.1 4,-1.6 -91,-0.0 5,-0.1 -0.945 80.9-106.0-152.9 169.0 -1.0 -49.4 95.3 411 418 A L H > S+ 0 0 3 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.928 119.3 51.5 -66.7 -44.7 2.1 -49.1 93.1 412 419 A E H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 107.7 54.2 -58.9 -39.6 4.2 -51.6 95.2 413 420 A A H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 110.0 46.1 -61.5 -42.6 1.3 -54.1 94.9 414 421 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -103,-0.4 0.871 112.9 50.3 -67.4 -37.1 1.4 -53.8 91.1 415 422 A L H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.813 109.6 51.5 -68.3 -31.8 5.2 -54.1 91.3 416 423 A E H X S+ 0 0 106 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.915 108.6 51.0 -67.7 -45.2 4.7 -57.3 93.5 417 424 A A H X S+ 0 0 17 -4,-2.2 4,-1.8 1,-0.2 -109,-0.3 0.708 108.0 53.2 -64.8 -26.9 2.3 -58.7 90.8 418 425 A L H < S+ 0 0 0 -4,-1.1 -1,-0.2 -111,-0.2 -2,-0.2 0.862 107.1 50.6 -76.9 -39.0 4.9 -58.0 88.1 419 426 A E H < S+ 0 0 106 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.880 117.1 41.0 -65.2 -37.8 7.6 -60.0 90.1 420 427 A K H < S+ 0 0 172 -4,-1.8 2,-0.4 1,-0.2 -2,-0.2 0.881 126.7 32.6 -76.1 -40.1 5.2 -62.9 90.4 421 428 A D S < S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.774 74.8 111.2-126.4 84.6 3.8 -62.7 86.8 422 429 A H >> + 0 0 36 -2,-0.4 4,-2.4 -3,-0.3 3,-1.4 0.400 47.8 95.6-131.4 0.3 6.3 -61.5 84.2 423 430 A E H 3> S+ 0 0 132 1,-0.3 4,-1.2 2,-0.2 5,-0.4 0.789 78.6 63.2 -63.9 -30.6 6.8 -64.7 82.0 424 431 A F H 34 S+ 0 0 8 1,-0.2 -1,-0.3 3,-0.1 -42,-0.1 0.662 115.9 32.6 -67.4 -17.5 4.2 -63.5 79.5 425 432 A L H <>>S+ 0 0 0 -3,-1.4 6,-1.4 3,-0.1 4,-0.6 0.823 126.9 35.9 -99.6 -55.7 6.5 -60.5 78.8 426 433 A T H ><5S+ 0 0 14 -4,-2.4 3,-1.4 2,-0.2 -3,-0.2 0.931 109.9 57.5 -69.5 -56.6 10.1 -61.9 79.3 427 434 A G T 3<5S+ 0 0 54 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.697 104.5 58.0 -50.9 -24.9 9.7 -65.5 77.9 428 435 A T T 345S- 0 0 38 -5,-0.4 -1,-0.3 3,-0.1 -2,-0.2 0.852 109.3-125.7 -71.1 -42.9 8.6 -63.8 74.7 429 436 A G T <<5S+ 0 0 44 -3,-1.4 -3,-0.1 -4,-0.6 -2,-0.1 0.061 85.1 105.6 109.5 -17.1 11.9 -61.8 74.4 430 437 A V S - 0 0 24 -330,-0.4 4,-2.3 -2,-0.4 5,-0.2 -0.687 18.3-122.2 -89.7 150.5 14.2 -58.6 79.1 433 440 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.803 116.7 59.9 -60.8 -23.0 14.3 -59.8 82.8 434 441 A D H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.950 106.8 43.2 -65.0 -50.9 17.0 -57.1 83.2 435 442 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 112.1 52.8 -61.3 -50.2 14.5 -54.4 82.2 436 443 A V H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.875 112.7 45.7 -55.3 -40.5 11.6 -55.8 84.3 437 444 A E H X S+ 0 0 127 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.886 113.0 48.8 -69.4 -43.8 14.0 -55.8 87.4 438 445 A S H X S+ 0 0 15 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.819 108.7 55.8 -66.8 -32.9 15.3 -52.2 86.8 439 446 A W H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.938 110.4 43.2 -62.0 -51.5 11.7 -51.1 86.3 440 447 A I H X S+ 0 0 22 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.919 116.4 48.5 -61.0 -47.3 10.7 -52.4 89.8 441 448 A E H X S+ 0 0 123 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.925 111.9 47.5 -61.3 -48.3 13.9 -51.0 91.4 442 449 A Y H X S+ 0 0 35 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.891 115.0 47.1 -59.1 -45.6 13.5 -47.5 89.8 443 450 A K H X>S+ 0 0 6 -4,-2.2 5,-2.6 2,-0.2 4,-1.3 0.843 115.5 44.6 -66.5 -37.3 9.8 -47.3 90.9 444 451 A L H <>S+ 0 0 49 -4,-2.2 5,-3.1 3,-0.2 -2,-0.2 0.930 119.9 39.4 -72.2 -47.7 10.5 -48.5 94.5 445 452 A D H <5S+ 0 0 83 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.776 127.0 32.5 -73.3 -33.7 13.6 -46.3 95.0 446 453 A N H <5S+ 0 0 96 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.2 0.580 136.6 9.1-103.2 -13.3 12.3 -43.1 93.3 447 454 A E T X5S+ 0 0 40 -4,-1.3 4,-1.8 -5,-0.2 -3,-0.2 0.638 123.9 44.6-130.9 -58.7 8.5 -43.2 93.9 448 455 A V H >> S+ 0 0 34 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.891 112.2 50.3 -54.4 -38.7 10.2 -41.4 98.8 451 458 A M H >< S+ 0 0 89 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.856 104.1 56.0 -64.5 -41.8 6.3 -41.3 99.2 452 459 A R H 3< S+ 0 0 153 -4,-1.6 -1,-0.2 -3,-0.3 -3,-0.1 0.728 107.5 52.9 -60.8 -26.6 6.3 -43.5 102.4 453 460 A L H << S+ 0 0 135 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.733 92.6 84.7 -80.7 -31.7 8.7 -41.0 104.0 454 461 A R S << S- 0 0 112 -4,-0.8 -309,-0.0 -3,-0.5 -306,-0.0 -0.702 77.2-125.8 -87.1 119.8 6.6 -37.8 103.4 455 462 A P - 0 0 77 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.327 24.4-134.8 -61.4 136.5 3.8 -36.6 105.8 456 463 A H > - 0 0 97 1,-0.1 3,-1.8 -308,-0.0 4,-0.4 -0.763 11.8-127.7 -90.2 137.4 0.5 -36.1 104.0 457 464 A P T >> S+ 0 0 70 0, 0.0 3,-1.5 0, 0.0 4,-1.0 0.804 109.4 61.5 -55.3 -32.5 -1.4 -32.8 104.9 458 465 A Y H 3> S+ 0 0 139 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.684 90.4 69.9 -68.3 -17.5 -4.6 -34.9 105.6 459 466 A E H <> S+ 0 0 89 -3,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.721 98.0 50.2 -71.3 -19.9 -2.6 -36.6 108.4 460 467 A F H <> S+ 0 0 125 -3,-1.5 4,-2.2 -4,-0.4 5,-0.3 0.875 107.1 53.7 -80.1 -40.1 -2.8 -33.2 110.2 461 468 A S H < S+ 0 0 89 -4,-1.0 -2,-0.2 1,-0.2 4,-0.2 0.891 122.3 29.8 -59.5 -41.3 -6.6 -33.1 109.6 462 469 A L H < S+ 0 0 84 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.811 134.6 24.4 -88.1 -36.9 -6.9 -36.6 111.2 463 470 A Y H < S+ 0 0 139 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.588 79.4 100.4-115.9 -7.9 -4.0 -36.6 113.7 464 471 A Y S < S+ 0 0 190 -4,-2.2 2,-0.5 -5,-0.1 -3,-0.1 0.891 92.7 49.0 -46.2 -46.1 -2.8 -33.1 114.9 465 472 A D 0 0 131 -5,-0.3 -1,-0.0 -4,-0.2 0, 0.0 -0.818 360.0 360.0 -92.0 124.8 -4.9 -33.7 118.1 466 473 A C 0 0 159 -2,-0.5 -3,-0.1 0, 0.0 -4,-0.0 -0.929 360.0 360.0-169.5 360.0 -4.0 -37.2 119.5