==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JUL-11 3T0C . COMPND 2 MOLECULE: 5-METHYLTETRAHYDROPTEROYLTRIGLUTAMATE--HOMOCYSTEI . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR T.M.FU,Y.H.LIANG,X.D.SU . 737 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 43 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 4 1 1 2 2 5 1 0 1 2 2 1 1 0 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 4 1 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 PARALLEL BRIDGES PER LADDER . 1 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 0 A S 0 0 139 0, 0.0 2,-0.4 0, 0.0 358,-0.0 0.000 360.0 360.0 360.0 -90.3 4.7 -4.5 -25.7 2 1 A M - 0 0 84 356,-0.0 2,-0.6 2,-0.0 354,-0.1 -0.863 360.0-166.3-129.5 98.1 3.7 -1.4 -23.7 3 2 A T - 0 0 16 -2,-0.4 310,-0.1 352,-0.3 356,-0.1 -0.739 15.9-135.5 -90.1 121.6 1.9 -2.2 -20.5 4 3 A K E -a 313 0A 48 308,-0.8 310,-2.8 -2,-0.6 2,-0.4 -0.356 14.5-156.9 -72.7 151.1 0.2 0.7 -18.8 5 4 A V E +a 314 0A 0 308,-0.2 52,-2.2 50,-0.2 53,-1.5 -0.970 20.7 157.2-127.3 148.0 0.5 1.3 -15.1 6 5 A S B -g 58 0B 0 308,-3.0 2,-0.3 -2,-0.4 53,-0.1 -0.734 27.1-135.6-148.1-167.5 -2.0 3.3 -12.9 7 6 A S - 0 0 0 51,-0.7 312,-0.1 -2,-0.2 3,-0.1 -0.960 13.3-139.7-160.7 153.5 -3.4 3.9 -9.5 8 7 A L S S- 0 0 2 310,-0.3 2,-0.3 1,-0.3 311,-0.2 0.806 76.3 -28.8 -88.0 -33.2 -6.9 4.4 -8.0 9 8 A G - 0 0 0 309,-0.2 311,-1.9 51,-0.1 -1,-0.3 -0.970 52.5-132.5-172.5 176.4 -6.2 7.2 -5.6 10 9 A Y - 0 0 7 -2,-0.3 311,-0.2 310,-0.2 309,-0.1 -0.970 35.4 -88.2-146.4 152.3 -3.6 8.8 -3.3 11 10 A P - 0 0 6 0, 0.0 310,-0.1 0, 0.0 311,-0.1 -0.231 22.2-152.7 -61.2 154.0 -3.5 10.1 0.3 12 11 A R S S+ 0 0 1 309,-0.1 7,-0.1 1,-0.1 35,-0.1 0.663 76.4 85.7 -94.7 -21.0 -4.6 13.7 1.0 13 12 A L S S- 0 0 4 6,-0.1 6,-2.4 5,-0.1 7,-0.4 0.781 81.7-138.6 -54.6 -41.6 -2.4 14.2 4.1 14 13 A G > - 0 0 5 3,-0.2 3,-2.1 4,-0.2 311,-0.1 0.019 41.5 -68.4 83.6 156.5 0.9 15.3 2.5 15 14 A E T 3 S+ 0 0 79 1,-0.3 481,-0.2 2,-0.1 -1,-0.2 0.777 137.4 27.1 -52.7 -32.3 4.2 14.0 3.8 16 15 A N T 3 S- 0 0 78 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 -0.049 117.1 -98.7-123.6 31.8 3.9 15.9 7.1 17 16 A R S <> S+ 0 0 80 -3,-2.1 4,-2.0 477,-0.1 -3,-0.2 0.780 70.2 149.4 57.8 30.9 0.1 16.1 7.5 18 17 A E H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 -4,-0.2 0.832 70.1 60.2 -61.0 -30.3 0.0 19.7 6.1 19 18 A W H > S+ 0 0 2 -6,-2.4 4,-1.9 2,-0.2 5,-0.3 0.931 104.8 48.1 -60.9 -46.6 -3.4 18.8 4.8 20 19 A K H > S+ 0 0 39 -7,-0.4 4,-1.9 1,-0.2 5,-0.2 0.918 113.6 46.9 -57.8 -47.5 -4.6 18.1 8.3 21 20 A K H X S+ 0 0 118 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.898 109.4 55.1 -63.4 -41.9 -3.1 21.4 9.6 22 21 A L H X S+ 0 0 27 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.943 114.3 35.8 -58.1 -53.9 -4.5 23.5 6.8 23 22 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.829 115.9 53.0 -77.6 -32.7 -8.2 22.5 7.2 24 23 A E H X S+ 0 0 72 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.823 110.2 50.6 -67.6 -31.1 -8.1 22.3 11.0 25 24 A A H <>S+ 0 0 29 -4,-1.8 5,-3.0 -5,-0.2 6,-0.5 0.851 108.5 52.7 -73.0 -34.2 -6.6 25.8 10.9 26 25 A Y H ><5S+ 0 0 23 -4,-1.5 3,-1.8 4,-0.3 5,-0.3 0.924 107.4 49.6 -65.7 -46.2 -9.5 26.9 8.6 27 26 A W H 3<5S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.1 56.8 -61.7 -31.3 -12.2 25.6 10.9 28 27 A A T 3<5S- 0 0 59 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.417 119.7-113.0 -80.3 2.1 -10.5 27.5 13.8 29 28 A G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.813 89.6 114.7 69.7 30.8 -10.8 30.7 11.8 30 29 A K < + 0 0 168 -5,-3.0 2,-0.4 1,-0.2 -4,-0.3 0.349 65.3 56.2-111.1 1.2 -7.0 30.8 11.4 31 30 A V S S- 0 0 28 -6,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 -0.979 76.8-132.7-140.8 124.4 -6.9 30.4 7.6 32 31 A S > - 0 0 63 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.250 29.1-110.4 -69.8 160.0 -8.7 32.4 4.9 33 32 A K H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.918 119.8 56.2 -54.8 -44.3 -10.6 30.8 2.1 34 33 A N H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 110.0 42.5 -53.1 -50.6 -7.8 32.0 -0.3 35 34 A D H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.812 111.4 57.6 -70.4 -29.6 -5.1 30.2 1.7 36 35 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.982 112.9 37.3 -60.5 -58.8 -7.3 27.2 2.1 37 36 A F H X S+ 0 0 96 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.876 119.1 49.0 -64.5 -38.9 -7.8 26.7 -1.7 38 37 A A H X S+ 0 0 45 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.917 111.6 50.3 -66.5 -41.9 -4.2 27.7 -2.5 39 38 A G H X S+ 0 0 14 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.917 112.4 46.5 -59.6 -45.3 -2.9 25.4 0.2 40 39 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.844 110.1 53.7 -66.1 -35.6 -5.0 22.5 -1.2 41 40 A K H X S+ 0 0 103 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.897 105.5 54.0 -66.2 -40.9 -3.8 23.3 -4.8 42 41 A E H X S+ 0 0 143 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.930 110.3 46.6 -56.2 -49.9 -0.2 23.1 -3.7 43 42 A L H X S+ 0 0 17 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.938 111.8 51.2 -59.1 -48.6 -0.8 19.7 -2.3 44 43 A R H X S+ 0 0 44 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.912 110.5 46.0 -57.8 -48.7 -2.6 18.5 -5.4 45 44 A L H X S+ 0 0 55 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.834 112.2 54.7 -67.0 -29.5 0.0 19.6 -7.9 46 45 A D H X S+ 0 0 78 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.962 110.2 43.9 -63.2 -53.6 2.6 18.0 -5.6 47 46 A F H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.891 111.7 54.1 -61.0 -41.2 0.8 14.6 -5.6 48 47 A L H X S+ 0 0 10 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.862 109.1 49.4 -60.3 -36.0 0.3 14.8 -9.3 49 48 A K H X S+ 0 0 48 -4,-1.6 4,-3.0 -3,-0.2 5,-0.2 0.911 107.8 52.1 -72.4 -43.7 4.0 15.4 -9.8 50 49 A K H X S+ 0 0 40 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.944 113.1 45.3 -53.1 -49.9 5.0 12.4 -7.7 51 50 A Q H <>S+ 0 0 4 -4,-2.2 5,-1.7 1,-0.2 4,-0.5 0.859 112.9 51.1 -66.9 -35.0 2.8 10.2 -9.6 52 51 A L H ><5S+ 0 0 47 -4,-1.8 3,-1.4 -5,-0.2 -1,-0.2 0.949 111.0 46.9 -64.0 -50.4 4.0 11.6 -12.9 53 52 A N H 3<5S+ 0 0 132 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.785 102.9 64.4 -64.9 -28.7 7.6 11.1 -12.0 54 53 A A T 3<5S- 0 0 20 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.675 119.6-109.1 -68.3 -18.1 6.9 7.6 -10.9 55 54 A G T < 5 + 0 0 15 -3,-1.4 -50,-0.2 -4,-0.5 -3,-0.2 0.575 55.5 167.1 103.5 12.4 6.0 6.7 -14.5 56 55 A L < - 0 0 0 -5,-1.7 -1,-0.2 1,-0.1 3,-0.2 -0.344 24.3-164.0 -64.2 137.0 2.2 6.3 -14.3 57 56 A D S S+ 0 0 50 -52,-2.2 2,-0.4 1,-0.3 -51,-0.2 0.714 86.2 34.9 -90.9 -27.1 0.4 6.3 -17.6 58 57 A L B S-g 6 0B 11 -53,-1.5 -51,-0.7 94,-0.1 -1,-0.3 -0.930 78.4-164.1-131.5 108.1 -3.0 6.9 -16.1 59 58 A I E -h 151 0C 0 91,-3.3 93,-3.7 -2,-0.4 2,-0.2 -0.817 23.2-118.0-102.5 124.8 -3.0 9.2 -13.1 60 59 A P E +h 152 0C 3 0, 0.0 2,-0.4 0, 0.0 -52,-0.1 -0.381 35.0 179.5 -64.3 125.9 -6.0 9.3 -10.7 61 60 A V E +h 153 0C 8 91,-2.5 93,-2.2 -2,-0.2 79,-0.1 -0.983 56.8 39.1-133.1 123.5 -7.7 12.7 -10.6 62 61 A G S S+ 0 0 5 -2,-0.4 -1,-0.1 91,-0.2 -53,-0.1 0.041 83.9 92.4 133.9 -24.2 -10.7 13.5 -8.5 63 62 A D + 0 0 23 -55,-0.1 2,-0.1 92,-0.1 6,-0.1 0.707 58.3 102.7 -76.9 -21.3 -10.1 11.6 -5.3 64 63 A F + 0 0 21 -53,-0.1 2,-0.3 2,-0.1 4,-0.1 -0.422 53.6 172.0 -59.3 135.1 -8.4 14.5 -3.5 65 64 A S - 0 0 4 2,-0.1 4,-0.1 -2,-0.1 -2,-0.1 -0.978 47.3-130.7-146.7 159.3 -10.9 16.0 -1.1 66 65 A L S S- 0 0 28 -2,-0.3 -2,-0.1 2,-0.2 3,-0.0 0.400 103.3 -19.9 -88.9 1.4 -11.1 18.5 1.7 67 66 A Y S S- 0 0 17 434,-0.1 434,-0.4 435,-0.0 2,-0.3 0.086 124.5 -1.9-164.7 -64.8 -12.8 15.9 3.9 68 67 A D > - 0 0 0 432,-0.1 4,-1.9 -4,-0.1 -2,-0.2 -0.997 45.6-137.4-150.4 142.6 -14.5 12.9 2.2 69 68 A H H > S+ 0 0 24 -2,-0.3 4,-0.8 2,-0.2 87,-0.2 0.663 108.2 50.5 -76.0 -16.7 -15.1 11.7 -1.3 70 69 A I H > S+ 0 0 0 2,-0.2 4,-2.4 3,-0.1 3,-0.4 0.881 108.4 51.6 -82.4 -43.8 -18.7 10.7 -0.6 71 70 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.884 103.5 61.1 -55.0 -40.5 -19.4 14.1 0.9 72 71 A D H X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.902 107.8 43.0 -51.7 -45.5 -17.9 15.6 -2.3 73 72 A L H X S+ 0 0 1 -4,-0.8 4,-3.5 -3,-0.4 6,-0.3 0.906 108.7 57.3 -71.9 -43.9 -20.7 13.8 -4.4 74 73 A S H X>S+ 0 0 4 -4,-2.4 5,-3.0 2,-0.2 4,-0.7 0.952 114.6 38.0 -48.9 -55.9 -23.5 14.7 -2.0 75 74 A V H ><5S+ 0 0 9 -4,-2.3 3,-0.5 3,-0.2 -1,-0.2 0.901 118.7 49.1 -64.1 -43.5 -22.8 18.4 -2.3 76 75 A Q H 3<5S+ 0 0 3 -4,-2.2 56,-2.6 -5,-0.3 57,-0.5 0.837 117.7 40.5 -64.2 -34.8 -22.0 18.1 -6.1 77 76 A F H 3<5S- 0 0 0 -4,-3.5 53,-1.7 54,-0.2 -1,-0.2 0.424 114.7-112.8 -97.3 -0.4 -25.2 16.1 -6.7 78 77 A N T <<5 + 0 0 24 -4,-0.7 2,-1.3 -3,-0.5 -3,-0.2 0.760 67.6 143.6 74.1 27.1 -27.4 18.2 -4.4 79 78 A I < + 0 0 9 -5,-3.0 44,-0.5 -6,-0.3 -1,-0.2 -0.618 26.4 158.2 -92.3 72.7 -28.0 15.5 -1.9 80 79 A I - 0 0 15 -2,-1.3 47,-0.1 42,-0.1 5,-0.1 -0.860 48.9-101.8-105.9 130.1 -27.9 17.9 1.0 81 80 A P > - 0 0 2 0, 0.0 3,-2.7 0, 0.0 4,-0.2 -0.155 32.5-117.8 -50.5 138.1 -29.6 17.1 4.3 82 81 A K G > S+ 0 0 90 1,-0.3 3,-2.7 2,-0.2 4,-0.2 0.880 112.6 61.4 -42.7 -50.9 -32.9 18.9 4.7 83 82 A R G 3 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.598 106.2 47.3 -58.2 -11.9 -31.7 20.9 7.7 84 83 A F G X S+ 0 0 1 -3,-2.7 3,-1.3 1,-0.1 -1,-0.3 0.229 79.0 109.5-110.7 12.2 -29.1 22.5 5.5 85 84 A A T < S+ 0 0 77 -3,-2.7 -2,-0.1 1,-0.3 -1,-0.1 0.755 74.5 51.3 -65.3 -29.2 -31.4 23.4 2.6 86 85 A K T 3 S+ 0 0 94 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.520 88.6 102.9 -88.0 -5.5 -31.4 27.2 3.2 87 86 A E S < S- 0 0 73 -3,-1.3 2,-0.1 1,-0.1 -3,-0.0 -0.513 82.7-103.7 -81.4 143.7 -27.6 27.5 3.3 88 87 A P - 0 0 94 0, 0.0 2,-1.6 0, 0.0 5,-0.3 -0.446 39.0-114.0 -61.2 136.5 -25.6 28.8 0.3 89 88 A I S S+ 0 0 80 -2,-0.1 2,-0.2 4,-0.1 -4,-0.0 -0.577 72.2 110.6 -79.7 87.5 -23.9 25.9 -1.4 90 89 A D S > S- 0 0 71 -2,-1.6 4,-2.3 0, 0.0 3,-0.5 -0.744 85.9 -69.0-140.8-168.6 -20.2 26.6 -0.8 91 90 A I H > S+ 0 0 21 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.807 128.1 55.7 -58.4 -31.5 -17.2 25.4 1.2 92 91 A D H > S+ 0 0 70 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.858 107.6 46.9 -72.8 -36.5 -18.8 26.4 4.5 93 92 A L H > S+ 0 0 5 -3,-0.5 4,-2.2 -5,-0.3 -2,-0.2 0.899 109.4 58.3 -66.1 -39.6 -21.9 24.4 3.8 94 93 A Y H X S+ 0 0 19 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.938 110.5 39.4 -53.7 -52.8 -19.5 21.6 2.9 95 94 A F H X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.745 110.0 61.6 -73.7 -22.9 -17.8 21.6 6.3 96 95 A A H X S+ 0 0 8 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.891 105.2 46.9 -67.7 -40.2 -21.1 22.2 8.0 97 96 A I H < S+ 0 0 3 -4,-2.2 10,-3.0 1,-0.2 -2,-0.2 0.907 117.4 44.0 -65.4 -40.4 -22.4 18.8 6.7 98 97 A A H < S+ 0 0 7 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.817 135.5 12.2 -72.3 -32.4 -19.2 17.1 7.7 99 98 A R H < S- 0 0 124 -4,-2.1 7,-0.3 -5,-0.1 -3,-0.2 0.490 99.1-121.7-128.7 -10.0 -18.9 18.8 11.2 100 99 A G < 0 0 21 -4,-2.7 5,-0.2 5,-0.3 -3,-0.1 0.034 360.0 360.0 77.2 164.9 -22.2 20.5 12.0 101 100 A N 0 0 93 3,-2.1 3,-0.3 -4,-0.1 -5,-0.0 -0.897 360.0 360.0-138.7 360.0 -22.6 24.2 12.8 102 ! 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 0.0 103 102 A E 0 0 120 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -58.7 -27.9 25.1 14.8 104 103 A N - 0 0 40 -3,-0.3 -3,-2.1 -20,-0.0 2,-0.1 -0.828 360.0-125.4-113.4 146.6 -27.6 21.8 12.9 105 104 A V - 0 0 104 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.453 35.3 -98.9 -83.5 160.1 -25.9 18.5 13.6 106 105 A A - 0 0 32 -7,-0.3 -8,-0.2 -2,-0.1 -9,-0.2 -0.389 39.9 -98.0 -75.2 152.9 -23.3 16.9 11.3 107 106 A S - 0 0 10 -10,-3.0 2,-0.2 -11,-0.1 -1,-0.1 -0.289 49.4-102.1 -58.9 156.5 -24.2 14.1 8.9 108 107 A S - 0 0 85 13,-0.3 13,-2.5 -3,-0.1 2,-0.3 -0.502 30.4-139.1 -83.9 154.2 -23.2 10.7 10.3 109 108 A M E -I 120 0D 75 11,-0.2 2,-0.3 -2,-0.2 11,-0.2 -0.840 15.8-170.2-111.5 152.4 -20.1 8.8 9.2 110 109 A K E -I 119 0D 70 9,-2.0 9,-2.3 -2,-0.3 2,-0.1 -0.928 35.5 -84.6-133.5 160.9 -19.8 5.0 8.6 111 110 A K E -I 118 0D 58 -2,-0.3 2,-1.5 7,-0.2 7,-0.3 -0.392 40.1-119.9 -62.6 138.9 -16.9 2.7 7.9 112 111 A W > - 0 0 3 5,-3.6 3,-2.1 3,-0.1 5,-0.3 -0.682 66.5 -71.1 -80.9 89.8 -15.7 2.6 4.3 113 112 A F T 3 S- 0 0 37 -2,-1.5 -2,-0.1 1,-0.2 125,-0.1 -0.386 106.3 -24.6 55.9-120.5 -16.3 -1.1 3.8 114 113 A N T 3 S+ 0 0 29 -2,-0.2 -1,-0.2 480,-0.0 2,-0.1 0.172 114.1 99.7-110.6 20.1 -13.7 -3.0 5.8 115 114 A T S < S- 0 0 5 -3,-2.1 -3,-0.1 2,-0.2 384,-0.0 -0.299 84.0-110.5 -90.3 179.5 -11.0 -0.4 6.0 116 115 A N S S+ 0 0 76 -5,-0.1 2,-0.3 206,-0.1 -3,-0.1 0.153 86.8 103.6 -96.1 18.1 -10.2 2.1 8.8 117 116 A Y - 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0 0 4 -3,-1.7 2,-0.8 -7,-0.2 -34,-0.2 -0.515 67.7-143.1 -75.7 143.5 -15.5 7.3 -22.8 231 230 A K E -c 196 0A 80 -36,-3.4 -34,-2.1 -2,-0.2 2,-0.1 -0.818 27.5-157.2-103.6 88.9 -13.4 4.3 -21.9 232 231 A F E -c 197 0A 6 -2,-0.8 22,-1.8 -36,-0.2 2,-0.7 -0.417 10.5-152.4 -71.8 137.4 -15.0 3.3 -18.6 233 232 A I E -cd 198 254A 0 -36,-2.9 -34,-2.5 20,-0.2 2,-1.6 -0.933 9.9-147.3-107.0 107.4 -13.2 1.3 -16.0 234 233 A F E -cd 199 255A 1 20,-3.0 22,-3.1 -2,-0.7 2,-0.5 -0.598 30.5-160.3 -72.5 92.1 -15.7 -0.7 -13.9 235 234 A Q E +cd 200 256A 2 -36,-1.7 -34,-3.5 -2,-1.6 2,-0.3 -0.668 20.3 166.6 -93.0 124.7 -13.6 -0.4 -10.8 236 235 A T + 0 0 0 20,-1.8 2,-0.3 -2,-0.5 5,-0.1 -0.868 2.7 162.7-127.1 163.4 -13.9 -2.8 -7.8 237 236 A Y + 0 0 8 -2,-0.3 81,-0.1 3,-0.1 -32,-0.1 -0.968 45.2 57.1-172.0 161.1 -11.8 -3.5 -4.7 238 237 A F S S+ 0 0 2 -2,-0.3 2,-0.3 79,-0.2 359,-0.2 0.092 112.1 8.0 96.0 -18.8 -11.6 -5.0 -1.2 239 238 A E S S- 0 0 14 23,-0.1 19,-0.5 358,-0.1 23,-0.4 -0.951 96.1 -57.7-168.4-176.0 -12.8 -8.4 -2.4 240 239 A G - 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0 0 12 -2,-0.2 3,-0.2 -294,-0.2 -1,-0.2 -0.098 43.2-139.9 -54.9 160.0 -13.9 3.1 28.9 716 717 A L S > S+ 0 0 10 -293,-2.3 3,-0.6 1,-0.1 -292,-0.2 0.184 71.3 108.1-111.7 14.3 -14.2 6.7 30.2 717 718 A K T 3 S+ 0 0 54 1,-0.2 -291,-0.9 -292,-0.2 -1,-0.1 0.785 79.6 51.8 -64.1 -28.9 -11.0 8.1 28.7 718 719 A T T 3 S+ 0 0 72 -3,-0.2 -1,-0.2 -293,-0.1 -2,-0.1 0.738 100.3 79.1 -79.3 -24.5 -13.0 10.2 26.2 719 720 A R S < S- 0 0 44 -3,-0.6 -293,-0.2 1,-0.1 2,-0.2 -0.320 82.5-108.3 -86.2 165.0 -15.2 11.8 28.9 720 721 A Q > - 0 0 128 -295,-0.1 4,-1.2 1,-0.1 -1,-0.1 -0.499 28.8-116.2 -85.7 162.4 -14.5 14.7 31.3 721 722 A E H > S+ 0 0 57 2,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.914 105.8 51.1 -69.2 -47.4 -14.0 14.1 35.0 722 723 A P H > S+ 0 0 93 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.965 114.0 42.7 -57.5 -57.7 -17.0 15.9 36.5 723 724 A E H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.833 114.4 55.2 -55.8 -34.1 -19.7 14.3 34.3 724 725 A T H X S+ 0 0 4 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.946 107.5 46.0 -65.5 -50.5 -17.8 11.0 34.9 725 726 A I H X S+ 0 0 48 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.929 117.5 44.2 -58.3 -47.2 -18.0 11.2 38.7 726 727 A A H < S+ 0 0 62 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.919 112.3 52.6 -63.6 -44.4 -21.6 12.2 38.6 727 728 A A H < S+ 0 0 26 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.858 111.3 47.0 -60.3 -37.3 -22.4 9.5 36.0 728 729 A L H < 0 0 12 -4,-2.4 4,-0.9 -5,-0.1 -1,-0.2 0.833 360.0 360.0 -75.0 -34.5 -20.8 6.8 38.2 729 730 A K < 0 0 58 -4,-1.9 4,-2.1 2,-0.2 3,-1.5 0.987 360.0 360.0 -68.5 360.0 -22.5 7.9 41.4 730 ! 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 0.0 731 732 A L > 0 0 34 0, 0.0 4,-0.9 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -72.4 -25.5 4.6 38.6 732 733 A V H > + 0 0 9 -3,-1.5 4,-2.6 -4,-0.9 -3,-0.1 0.786 360.0 49.4 -77.7 -35.4 -24.1 2.8 41.6 733 734 A A H > S+ 0 0 38 -4,-2.1 4,-2.1 2,-0.2 5,-0.1 0.898 107.5 52.5 -66.2 -43.5 -27.2 4.1 43.3 734 735 A A H > S+ 0 0 0 -5,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.880 112.1 46.9 -58.9 -39.0 -29.3 2.8 40.5 735 736 A T H X S+ 0 0 1 -4,-0.9 4,-1.8 1,-0.2 -2,-0.2 0.922 110.6 50.8 -67.5 -46.0 -27.6 -0.6 41.0 736 737 A K H X S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.802 107.2 57.2 -61.7 -29.5 -28.1 -0.4 44.7 737 738 A E H X S+ 0 0 73 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.958 106.7 44.7 -67.1 -52.6 -31.8 0.3 44.1 738 739 A V H < S+ 0 0 10 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.5 54.6 -61.7 -31.5 -32.5 -2.8 42.0 739 740 A R H >< S+ 0 0 52 -4,-1.8 3,-1.5 3,-0.2 -1,-0.2 0.884 103.5 56.8 -66.6 -38.7 -30.6 -4.8 44.7 740 741 A Q H 3< S+ 0 0 74 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.966 102.7 51.1 -57.2 -57.4 -32.8 -3.3 47.4 741 742 A K T 3< 0 0 122 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.1 0.205 360.0 360.0 -70.5 20.7 -36.0 -4.6 45.8 742 743 A L < 0 0 190 -3,-1.5 -3,-0.2 -5,-0.1 -1,-0.1 0.645 360.0 360.0 41.9 360.0 -34.2 -7.9 45.7