==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JAN-05 2BHS . COMPND 2 MOLECULE: CYSTEINE SYNTHASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.T.CLAUS,G.E.ZOCHER,T.H.P.MAIER,G.E.SCHULZ . 1165 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 811 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 2.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 64 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 367 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.7 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 1 0 0 0 9 4 0 4 0 4 5 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 0 16 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 PARALLEL BRIDGES PER LADDER . 8 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 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 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 S 0 0 67 0, 0.0 306,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 100.2 72.3 151.1 156.2 2 3 A T >> - 0 0 44 304,-0.1 3,-1.2 1,-0.1 4,-1.1 -0.699 360.0-102.4-165.7 141.4 69.9 150.9 159.3 3 4 A L G >4 S+ 0 0 7 -2,-0.3 3,-1.8 1,-0.3 4,-0.4 0.906 125.3 59.8 -41.7 -42.6 66.4 150.6 158.0 4 5 A E G >4 S+ 0 0 51 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.864 100.2 52.6 -48.8 -48.8 66.2 154.4 159.0 5 6 A Q G <4 S+ 0 0 131 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.632 99.8 63.6 -69.7 -11.6 68.9 155.4 156.6 6 7 A T G << S+ 0 0 17 -3,-1.8 2,-0.3 -4,-1.1 -1,-0.3 0.487 82.3 98.9 -85.2 -6.1 67.2 153.6 153.7 7 8 A I S < S- 0 0 19 -3,-1.7 27,-0.1 -4,-0.4 2,-0.0 -0.671 86.0 -0.7 -78.4 135.8 64.3 156.1 154.1 8 9 A G S S+ 0 0 9 -2,-0.3 145,-0.0 23,-0.1 33,-0.0 -0.277 80.1 98.6 78.7-167.4 64.4 158.8 151.6 9 10 A N + 0 0 134 1,-0.1 -1,-0.1 -2,-0.0 144,-0.0 0.873 62.3 175.5 46.1 45.6 67.0 159.5 148.8 10 11 A T - 0 0 2 1,-0.1 -1,-0.1 19,-0.0 21,-0.1 -0.335 33.5 -90.4 -77.2 156.8 64.6 157.9 146.4 11 12 A P - 0 0 17 0, 0.0 19,-2.1 0, 0.0 2,-0.5 -0.277 26.3-148.0 -64.6 152.4 65.2 157.7 142.7 12 13 A L E -A 29 0A 4 17,-0.2 2,-0.5 148,-0.1 17,-0.2 -0.979 22.7-172.9-120.4 116.2 64.0 160.4 140.3 13 14 A V E -A 28 0A 8 15,-2.6 15,-2.2 -2,-0.5 282,-0.2 -0.937 17.3-133.4-124.2 123.4 63.2 158.8 136.9 14 15 A K E -A 27 0A 64 280,-1.0 2,-0.4 -2,-0.5 13,-0.2 -0.393 24.9-115.4 -71.1 140.8 62.3 160.6 133.7 15 16 A L - 0 0 14 11,-2.5 11,-0.3 1,-0.1 -1,-0.1 -0.652 29.6-174.1 -72.1 131.9 59.3 159.4 131.6 16 17 A Q S S+ 0 0 117 -2,-0.4 -1,-0.1 230,-0.1 231,-0.1 0.708 74.4 15.9-102.1 -22.4 60.7 158.2 128.2 17 18 A R S S+ 0 0 103 229,-0.0 230,-0.1 4,-0.0 2,-0.1 0.746 103.9 76.6-123.3 -42.0 57.5 157.4 126.2 18 19 A M S S+ 0 0 14 225,-0.1 3,-0.2 228,-0.0 -3,-0.0 -0.330 74.7 37.4 -79.7 159.2 54.4 159.1 127.8 19 20 A G S S- 0 0 35 1,-0.2 244,-0.1 -2,-0.1 245,-0.1 -0.178 95.4 -48.0 90.1 178.8 53.5 162.7 127.5 20 21 A P - 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.627 44.7-141.8 -71.8 -33.5 53.6 165.5 125.0 21 22 A D + 0 0 157 3,-0.3 4,-0.1 -3,-0.2 -2,-0.1 0.996 59.9 125.5 58.4 72.1 57.1 165.7 123.3 22 23 A N S S- 0 0 55 2,-0.3 3,-0.1 248,-0.2 -1,-0.1 -0.072 96.5 -75.6-145.8 31.7 57.2 169.5 123.2 23 24 A G S S+ 0 0 49 1,-0.3 2,-0.2 248,-0.1 248,-0.1 0.062 97.7 125.1 92.4 -23.6 60.4 170.1 125.1 24 25 A S - 0 0 18 242,-0.2 2,-0.4 247,-0.1 -3,-0.3 -0.509 46.4-153.9 -79.7 135.1 58.9 169.4 128.5 25 26 A E E - b 0 273A 53 247,-2.4 249,-2.5 -2,-0.2 2,-0.5 -0.858 2.9-160.9-101.1 141.7 60.5 166.7 130.8 26 27 A V E - b 0 274A 8 -2,-0.4 -11,-2.5 -11,-0.3 2,-0.3 -0.972 11.3-169.1-124.6 113.7 58.4 164.9 133.4 27 28 A W E -Ab 14 275A 39 247,-2.9 249,-3.2 -2,-0.5 2,-0.5 -0.804 11.4-141.8-107.8 148.6 60.3 163.2 136.3 28 29 A L E -Ab 13 276A 1 -15,-2.2 -15,-2.6 -2,-0.3 2,-0.8 -0.914 3.0-149.5-114.9 126.3 59.0 160.7 138.8 29 30 A K E -Ab 12 277A 0 247,-2.7 249,-2.6 -2,-0.5 2,-1.7 -0.845 20.7-145.3 -93.9 106.6 60.0 160.7 142.5 30 31 A L E > + b 0 278A 13 -19,-2.1 3,-1.7 -2,-0.8 249,-0.1 -0.501 30.1 167.2 -82.9 84.6 59.7 157.0 143.4 31 32 A E G > + 0 0 0 247,-2.2 3,-1.6 -2,-1.7 10,-0.2 0.654 66.5 80.9 -75.0 -13.4 58.6 157.1 147.0 32 33 A G G 3 S+ 0 0 4 246,-0.4 -1,-0.3 248,-0.3 249,-0.2 0.586 75.0 76.3 -61.8 -14.7 57.7 153.4 146.7 33 34 A N G < + 0 0 26 -3,-1.7 -1,-0.3 -22,-0.1 -2,-0.2 0.585 69.8 110.4 -74.9 -10.7 61.5 152.8 147.3 34 35 A N S X S- 0 0 0 -3,-1.6 3,-2.5 1,-0.1 -27,-0.1 -0.271 88.6-102.9 -61.5 150.2 61.0 153.5 151.0 35 36 A P T 3 S+ 0 0 15 0, 0.0 508,-0.2 0, 0.0 -1,-0.1 0.835 121.0 37.4 -48.3 -46.2 61.4 150.4 153.2 36 37 A A T 3 S- 0 0 1 2,-0.2 -2,-0.1 506,-0.1 -3,-0.1 0.161 122.3-101.5 -96.5 14.2 57.7 149.9 153.8 37 38 A G S < S+ 0 0 2 -3,-2.5 244,-1.2 -5,-0.2 2,-0.3 0.559 83.6 69.7 89.9 12.0 56.7 150.9 150.3 38 39 A S B > S-F 280 0B 0 242,-0.2 3,-1.4 -7,-0.1 242,-0.2 -0.980 84.5-101.5-152.6 169.6 55.4 154.4 150.4 39 40 A V T >> S+ 0 0 8 240,-2.0 3,-1.4 -2,-0.3 4,-0.6 0.669 107.2 79.5 -58.4 -21.9 56.1 158.1 150.9 40 41 A K H 3> S+ 0 0 38 1,-0.3 4,-2.6 239,-0.2 5,-0.3 0.755 71.6 75.2 -63.1 -27.2 54.7 157.7 154.4 41 42 A D H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.2 -1,-0.3 0.818 93.3 57.8 -53.5 -29.2 57.9 156.2 155.8 42 43 A R H <> S+ 0 0 6 -3,-1.4 4,-2.3 -4,-0.2 -1,-0.2 0.962 110.5 37.4 -67.8 -53.5 59.3 159.8 155.6 43 44 A A H X S+ 0 0 4 -4,-0.6 4,-2.9 2,-0.2 5,-0.2 0.825 115.2 55.4 -67.1 -35.4 56.7 161.4 157.9 44 45 A A H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.933 110.9 45.4 -64.5 -44.0 56.5 158.4 160.1 45 46 A L H X S+ 0 0 37 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.969 115.6 46.4 -60.1 -52.9 60.2 158.6 160.7 46 47 A S H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.935 111.6 49.8 -59.9 -49.8 60.2 162.3 161.3 47 48 A M H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.923 116.8 41.5 -57.7 -45.7 57.2 162.3 163.6 48 49 A I H X S+ 0 0 1 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.912 116.2 47.2 -68.5 -44.4 58.7 159.6 165.8 49 50 A V H X S+ 0 0 51 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.861 114.3 46.9 -69.0 -38.2 62.3 160.9 165.8 50 51 A E H X S+ 0 0 30 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.873 110.0 53.3 -73.9 -39.2 61.3 164.4 166.6 51 52 A A H <>S+ 0 0 1 -4,-1.9 5,-1.9 -5,-0.4 6,-0.5 0.893 108.1 51.8 -59.3 -39.1 59.0 163.2 169.4 52 53 A E H ><5S+ 0 0 55 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.869 106.2 53.9 -62.6 -39.3 62.0 161.3 170.8 53 54 A K H 3<5S+ 0 0 149 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 106.7 53.0 -68.1 -28.2 64.1 164.5 170.7 54 55 A R T 3<5S- 0 0 103 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.225 114.9-115.1 -90.5 12.3 61.3 166.2 172.7 55 56 A G T < 5S+ 0 0 56 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.516 81.2 124.3 64.5 8.6 61.3 163.6 175.5 56 57 A E S - 0 0 131 -2,-0.3 3,-3.1 -3,-0.0 25,-0.0 -0.987 47.7 -89.1-133.4 145.2 61.0 156.1 174.7 59 60 A P T 3 S+ 0 0 67 0, 0.0 26,-0.1 0, 0.0 23,-0.0 0.667 121.8 55.2 -22.7 -47.7 61.4 152.7 172.9 60 61 A G T 3 S+ 0 0 49 24,-0.1 25,-0.1 2,-0.0 23,-0.1 0.759 90.2 103.1 -62.7 -20.0 59.0 150.8 175.4 61 62 A D S < S- 0 0 68 -3,-3.1 24,-2.3 1,-0.1 2,-0.4 0.032 70.9-112.2 -72.4 168.9 56.0 153.2 174.9 62 63 A V E -g 85 0C 17 22,-0.2 73,-2.0 24,-0.0 2,-0.3 -0.784 23.8-157.4 -97.4 138.6 52.8 152.9 173.0 63 64 A L E -gh 86 135C 0 22,-2.3 24,-1.8 -2,-0.4 2,-0.4 -0.890 9.2-159.8-110.0 147.5 52.1 155.0 169.9 64 65 A I E +gh 87 136C 0 71,-2.7 73,-1.8 -2,-0.3 74,-0.3 -0.974 17.4 156.6-132.1 140.8 48.5 155.7 168.6 65 66 A E E -g 88 0C 7 22,-1.7 24,-2.1 -2,-0.4 2,-0.7 -0.959 35.4-131.5-161.1 145.5 47.1 156.8 165.3 66 67 A A E +g 89 0C 7 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.902 63.9 98.3 -98.8 115.6 43.8 156.7 163.4 67 68 A T - 0 0 19 22,-1.5 -2,-0.1 -2,-0.7 0, 0.0 -0.918 45.5-162.1 177.2 162.3 44.5 155.5 159.9 68 69 A S + 0 0 15 -2,-0.3 34,-0.1 20,-0.0 22,-0.1 0.258 66.5 61.2-147.8 18.2 44.5 152.4 157.7 69 70 A G S > S- 0 0 20 138,-0.1 4,-1.8 33,-0.0 5,-0.1 0.081 112.9 -32.9-115.6-132.3 46.6 153.0 154.6 70 71 A N H > S+ 0 0 25 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.821 132.2 60.5 -63.7 -30.7 50.2 153.7 154.0 71 72 A T H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.919 105.1 47.9 -65.7 -41.1 50.4 155.7 157.2 72 73 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 114.3 45.5 -64.9 -43.3 49.5 152.7 159.3 73 74 A I H X S+ 0 0 9 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.931 114.3 49.7 -63.7 -45.6 52.0 150.6 157.5 74 75 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.940 114.4 43.2 -61.4 -49.9 54.7 153.2 157.8 75 76 A L H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.872 112.8 52.7 -63.2 -37.6 54.1 153.8 161.5 76 77 A A H X S+ 0 0 1 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.934 111.6 46.8 -67.8 -42.4 53.9 150.1 162.2 77 78 A M H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.952 113.9 45.9 -59.5 -53.4 57.2 149.6 160.5 78 79 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.920 112.9 52.4 -62.0 -39.8 58.9 152.4 162.3 79 80 A A H X>S+ 0 0 3 -4,-3.0 5,-2.4 -5,-0.2 4,-1.1 0.916 111.3 45.9 -56.8 -46.2 57.3 151.1 165.5 80 81 A A H <5S+ 0 0 8 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.919 115.2 49.0 -62.6 -39.3 58.8 147.7 164.8 81 82 A L H <5S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.896 119.5 32.5 -68.9 -46.2 62.1 149.2 163.9 82 83 A K H <5S- 0 0 40 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.415 116.9-105.3 -97.6 -4.6 62.7 151.5 166.9 83 84 A G T <5 + 0 0 29 -4,-1.1 2,-0.2 -5,-0.3 -3,-0.2 0.846 67.8 140.8 89.8 39.5 60.9 149.2 169.3 84 85 A Y < - 0 0 14 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.629 53.3-117.4-104.6 165.4 57.5 150.9 170.0 85 86 A R E -g 62 0C 150 -24,-2.3 -22,-2.3 -2,-0.2 2,-0.3 -0.903 32.9-152.5-103.4 106.2 54.0 149.4 170.4 86 87 A M E -g 63 0C 6 -2,-0.7 22,-2.4 -24,-0.2 2,-0.4 -0.579 12.5-170.8 -82.2 140.5 51.8 150.6 167.6 87 88 A K E -gi 64 108C 42 -24,-1.8 -22,-1.7 -2,-0.3 2,-0.4 -0.987 7.6-172.4-129.7 118.1 48.1 150.9 168.0 88 89 A L E -gi 65 109C 0 20,-2.4 22,-2.6 -2,-0.4 2,-0.4 -0.950 6.9-155.9-118.7 131.6 46.2 151.7 164.9 89 90 A L E +gi 66 110C 1 -24,-2.1 -22,-1.5 -2,-0.4 22,-0.2 -0.885 24.9 147.0-110.9 136.2 42.5 152.5 164.9 90 91 A M E - i 0 111C 2 20,-1.7 22,-1.8 -2,-0.4 2,-0.1 -0.985 49.3 -79.3-159.3 163.6 40.2 152.1 161.9 91 92 A P E - i 0 112C 9 0, 0.0 2,-2.5 0, 0.0 22,-0.2 -0.462 44.7-114.2 -70.5 144.4 36.6 151.2 160.8 92 93 A D S S+ 0 0 87 20,-2.0 22,-0.2 1,-0.2 19,-0.1 -0.313 96.7 89.2 -77.9 55.5 35.7 147.5 160.8 93 94 A N + 0 0 86 -2,-2.5 2,-0.3 20,-0.1 -1,-0.2 -0.185 57.8 122.4-145.5 37.4 35.3 147.5 157.0 94 95 A M - 0 0 46 -3,-0.1 2,-0.1 -4,-0.1 -4,-0.0 -0.787 64.7-105.5-112.7 148.3 38.7 146.7 155.7 95 96 A S >> - 0 0 52 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.419 30.1-121.5 -59.7 142.6 40.1 144.0 153.4 96 97 A Q H 3> S+ 0 0 159 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.660 113.9 65.7 -57.7 -16.2 42.1 141.3 155.3 97 98 A E H 3> S+ 0 0 26 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.902 103.3 40.5 -70.6 -46.9 44.8 142.5 152.8 98 99 A R H <> S+ 0 0 92 -3,-0.5 4,-1.2 2,-0.2 3,-0.3 0.912 116.5 50.0 -68.0 -44.8 45.1 146.1 154.2 99 100 A R H X S+ 0 0 60 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.851 107.5 55.3 -62.4 -36.1 44.8 144.9 157.8 100 101 A A H X S+ 0 0 23 -4,-1.1 4,-1.7 -5,-0.2 -1,-0.2 0.820 99.2 58.9 -73.4 -30.7 47.5 142.2 157.2 101 102 A A H X S+ 0 0 1 -4,-1.2 4,-0.6 -3,-0.3 -1,-0.2 0.919 114.0 38.8 -61.6 -42.2 50.1 144.7 156.0 102 103 A M H ><>S+ 0 0 0 -4,-1.2 5,-1.3 1,-0.2 3,-0.7 0.881 113.8 54.3 -73.3 -41.4 49.9 146.6 159.3 103 104 A R H ><5S+ 0 0 109 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.794 96.2 67.5 -64.5 -29.6 49.5 143.4 161.5 104 105 A A H 3<5S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 96.1 54.2 -64.9 -33.4 52.7 141.9 160.0 105 106 A Y T <<5S- 0 0 8 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.359 125.6-103.5 -79.5 5.7 54.8 144.6 161.7 106 107 A G T < 5 + 0 0 48 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.526 67.1 157.5 86.3 7.4 53.2 143.6 165.0 107 108 A A < - 0 0 7 -5,-1.3 2,-0.4 -22,-0.1 -1,-0.3 -0.432 42.4-127.3 -67.1 134.6 50.9 146.6 165.2 108 109 A E E -i 87 0C 103 -22,-2.4 -20,-2.4 -2,-0.1 2,-0.6 -0.736 23.0-146.5 -79.8 127.7 47.8 146.1 167.4 109 110 A L E -i 88 0C 15 -2,-0.4 2,-0.8 -22,-0.2 -20,-0.2 -0.887 9.0-162.9-104.6 116.0 44.6 146.9 165.4 110 111 A I E -i 89 0C 37 -22,-2.6 -20,-1.7 -2,-0.6 2,-0.1 -0.860 14.7-149.9 -97.7 104.5 41.7 148.4 167.2 111 112 A L E -i 90 0C 70 -2,-0.8 2,-0.2 -22,-0.2 -22,-0.0 -0.430 12.1-168.1 -72.4 148.9 38.6 148.1 165.1 112 113 A V E -i 91 0C 7 -22,-1.8 -20,-2.0 -2,-0.1 2,-0.2 -0.700 34.6 -76.5-129.3 172.8 35.9 150.7 165.4 113 114 A T >> - 0 0 52 -2,-0.2 4,-2.0 -22,-0.2 3,-0.6 -0.560 28.3-121.7 -85.7 145.7 32.4 150.5 164.0 114 115 A K T 34 S+ 0 0 146 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.698 115.9 51.7 -42.5 -21.3 31.3 151.0 160.4 115 116 A E T 34 S+ 0 0 156 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.778 103.8 48.6-101.6 -32.7 29.2 153.8 161.9 116 117 A Q T <> S+ 0 0 86 -3,-0.6 4,-2.5 1,-0.1 -2,-0.2 0.716 95.9 176.2 -76.2 -16.1 31.6 155.8 164.0 117 118 A G H X - 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0 0 61 -3,-0.6 3,-2.7 -4,-0.3 -1,-0.2 -0.626 67.5-164.0-143.5 76.8 72.5 91.4 194.4 855 271 C P T 3 S+ 0 0 70 0, 0.0 -248,-0.1 0, 0.0 -1,-0.1 0.523 87.5 30.3 -43.5 -22.1 74.4 89.8 197.2 856 272 C D T 3 S+ 0 0 139 -248,-0.1 -248,-0.1 -247,-0.1 -5,-0.1 0.128 90.0 140.6-125.6 30.8 76.0 86.8 195.3 857 273 C A < - 0 0 5 -3,-2.7 -247,-2.5 -6,-0.2 2,-0.5 -0.254 44.8-151.8 -70.2 147.1 76.3 88.5 192.0 858 274 C V E -v 610 0I 6 -249,-0.2 -107,-3.0 -109,-0.2 -106,-1.9 -0.928 27.3-175.5-114.7 101.9 79.2 88.0 189.6 859 275 C V E -vx 611 752I 0 -249,-2.6 -247,-3.3 -2,-0.5 2,-0.4 -0.849 13.0-164.4-104.6 128.0 79.2 91.3 187.7 860 276 C V E -vx 612 753I 0 -108,-2.0 -106,-3.3 -2,-0.4 2,-0.4 -0.942 6.9-167.9-110.3 136.3 81.5 92.2 184.8 861 277 C A E -vx 613 754I 0 -249,-2.5 -247,-2.8 -2,-0.4 2,-0.5 -0.962 22.7-120.9-121.4 138.5 81.9 95.8 183.7 862 278 C I E -v 614 0I 3 -108,-1.8 2,-0.7 -2,-0.4 -106,-0.3 -0.692 15.3-158.4 -78.7 124.8 83.5 96.9 180.5 863 279 C I E -v 615 0I 4 -249,-2.9 -247,-1.5 -2,-0.5 -246,-0.5 -0.941 11.8-164.5 -96.9 109.1 86.5 99.3 181.0 864 280 C C - 0 0 16 -2,-0.7 -240,-1.9 -248,-0.2 2,-0.3 0.771 54.9 -13.2 -72.1 -34.5 86.6 100.9 177.6 865 281 C D B S-Z 623 0J 2 -242,-0.2 -28,-1.1 -241,-0.1 -248,-0.2 -0.966 70.1 -89.8-157.8 168.4 90.0 102.6 177.6 866 282 C R B -D 836 0L 123 -244,-1.0 3,-0.4 -2,-0.3 -30,-0.4 -0.391 41.5-115.0 -77.6 169.0 93.0 103.6 179.7 867 283 C G S >> S+ 0 0 0 -32,-1.4 3,-2.3 1,-0.2 4,-0.9 0.537 87.9 100.1 -86.0 -7.0 93.0 107.0 181.3 868 284 C D G >4 S+ 0 0 95 -33,-0.3 3,-0.8 1,-0.3 4,-0.4 0.831 80.3 48.1 -54.3 -43.4 95.9 108.4 179.3 869 285 C R G 34 S+ 0 0 70 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.398 109.2 57.1 -82.6 4.4 93.9 110.4 176.7 870 286 C Y G X4>S+ 0 0 18 -3,-2.3 3,-2.0 2,-0.1 5,-0.7 0.638 81.6 85.6-101.1 -21.6 91.8 111.9 179.5 871 287 C L G X<5S+ 0 0 94 -4,-0.9 3,-1.7 -3,-0.8 5,-0.3 0.853 84.9 55.3 -50.8 -45.8 94.7 113.5 181.5 872 288 C S G 3 5S+ 0 0 84 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.518 97.3 65.0 -71.7 -5.4 94.8 116.7 179.5 873 289 C T G < 5S- 0 0 89 -3,-2.0 -1,-0.3 0, 0.0 -2,-0.2 0.524 105.9-126.0 -90.8 -7.7 91.1 117.4 180.1 874 290 C G T < 5S+ 0 0 55 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.444 70.2 131.3 84.0 0.1 91.8 117.8 183.8 875 291 C V < 0 0 22 -5,-0.7 -49,-0.1 1,-0.1 -4,-0.1 0.735 360.0 360.0 -61.7 -23.2 89.2 115.2 184.9 876 292 C F 0 0 75 -5,-0.3 -1,-0.1 -6,-0.2 -53,-0.1 -0.816 360.0 360.0 -86.7 360.0 91.8 113.6 187.1 877 !* 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 0.0 878 2 D S 0 0 129 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 80.7 68.0 68.7 147.7 879 3 D T >> - 0 0 69 1,-0.1 4,-1.3 5,-0.0 3,-0.9 -0.657 360.0 -99.6-171.1 170.9 66.3 71.5 149.3 880 4 D L H >> S+ 0 0 66 1,-0.3 3,-2.1 -2,-0.2 4,-0.7 0.904 123.4 58.9 -50.7 -41.1 65.0 74.7 148.1 881 5 D E H >4 S+ 0 0 53 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.879 107.7 44.8 -54.3 -44.0 68.3 76.3 149.5 882 6 D Q H <4 S+ 0 0 131 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.542 108.6 57.3 -79.6 -3.9 70.4 74.0 147.3 883 7 D T H << S+ 0 0 72 -3,-2.1 2,-0.3 -4,-1.3 -1,-0.2 0.386 84.8 100.7 -96.7 -1.9 68.2 74.7 144.2 884 8 D I S << S+ 0 0 18 -3,-1.2 27,-0.1 -4,-0.7 32,-0.1 -0.675 86.3 0.4 -77.4 136.4 68.9 78.4 144.6 885 9 D G S S+ 0 0 10 -2,-0.3 145,-0.0 23,-0.1 144,-0.0 -0.298 81.8 96.8 80.5-165.3 71.5 79.5 142.1 886 10 D N + 0 0 129 1,-0.1 -1,-0.1 -2,-0.0 144,-0.0 0.855 63.0 172.6 40.1 46.2 73.4 77.5 139.5 887 11 D T - 0 0 2 1,-0.1 -1,-0.1 19,-0.0 21,-0.1 -0.362 34.7 -88.0 -81.3 159.2 70.8 78.7 137.1 888 12 D P - 0 0 44 0, 0.0 19,-2.7 0, 0.0 2,-0.5 -0.256 26.0-148.8 -68.8 151.2 71.1 78.1 133.3 889 13 D L E -E 906 0M 23 17,-0.2 2,-0.4 148,-0.1 17,-0.2 -0.991 23.4-174.5-117.6 122.1 72.9 80.4 130.9 890 14 D V E -E 905 0M 58 15,-2.6 15,-2.7 -2,-0.5 2,-0.1 -0.965 19.2-129.4-133.2 123.0 71.3 80.2 127.5 891 15 D K E -E 904 0M 74 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.342 25.1-115.7 -69.2 140.0 72.3 81.8 124.2 892 16 D L - 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0 0 16 -2,-0.6 -240,-2.0 -248,-0.2 2,-0.3 0.836 53.0 -10.0 -83.6 -38.8 65.2 88.2 136.7 1157 281 D D B S-J 915 0N 1 -242,-0.2 -28,-1.0 -241,-0.1 -248,-0.3 -0.933 71.6 -90.2-150.5 173.1 62.1 86.2 136.8 1158 282 D R B -N 1128 0P 118 -244,-1.1 3,-0.5 -2,-0.3 -30,-0.4 -0.485 37.0-117.5 -82.6 163.8 59.6 84.2 134.7 1159 283 D G S >> S+ 0 0 0 -32,-0.9 3,-2.1 1,-0.2 4,-0.8 0.523 90.1 98.9 -78.7 -6.3 56.7 85.8 133.0 1160 284 D D G >4 S+ 0 0 93 1,-0.3 3,-1.1 -33,-0.3 4,-0.4 0.893 80.7 46.9 -52.2 -50.3 54.2 83.9 135.0 1161 285 D R G 34 S+ 0 0 75 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.376 109.4 57.5 -76.9 5.7 53.4 86.6 137.6 1162 286 D Y G X4>S+ 0 0 20 -3,-2.1 3,-1.5 2,-0.1 5,-0.5 0.603 78.4 87.2-106.1 -18.2 53.0 89.2 134.9 1163 287 D L G X<5S+ 0 0 91 -3,-1.1 3,-1.9 -4,-0.8 5,-0.3 0.879 85.5 56.4 -51.9 -47.2 50.2 87.6 132.8 1164 288 D S G 3 5S+ 0 0 71 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.685 95.9 65.2 -60.3 -23.5 47.4 89.2 134.9 1165 289 D T G < 5S- 0 0 83 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.539 105.6-127.4 -79.0 -6.2 48.8 92.7 134.3 1166 290 D G T < 5S+ 0 0 55 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.251 70.6 130.0 84.8 -12.5 47.9 92.3 130.5 1167 291 D V < 0 0 25 -5,-0.5 -49,-0.1 -49,-0.0 -4,-0.1 0.595 360.0 360.0 -52.9 -12.4 51.4 93.3 129.4 1168 292 D F 0 0 77 -5,-0.3 -53,-0.0 -6,-0.2 -50,-0.0 -0.353 360.0 360.0 -93.7 360.0 51.6 90.1 127.2