==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAR-11 3R9F . COMPND 2 MOLECULE: MCCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.K.NAIR,V.AGARWAL . 362 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 80.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 0 0 0 0 0 2 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 2 0 0 4 4 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 0 0 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 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 4 A D > 0 0 124 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.4 38.2 16.3 8.3 2 5 A V T 3 + 0 0 138 1,-0.3 8,-0.1 3,-0.0 0, 0.0 0.607 360.0 71.3 -69.2 -12.4 37.2 12.6 7.9 3 6 A S T 3 S+ 0 0 15 1,-0.1 7,-3.0 6,-0.1 2,-1.0 0.642 81.8 79.7 -75.6 -15.5 40.6 11.7 6.4 4 7 A L E < +A 9 0A 77 -3,-1.7 5,-0.2 5,-0.2 -1,-0.1 -0.810 69.8 171.3 -94.8 95.2 42.1 12.2 9.9 5 8 A T E > -A 8 0A 47 3,-2.4 3,-0.6 -2,-1.0 -2,-0.1 -0.593 48.4-106.4-102.8 163.3 41.1 8.9 11.6 6 9 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.840 120.7 44.4 -56.7 -32.6 42.1 7.5 15.0 7 10 A S T 3 S- 0 0 75 1,-0.2 12,-2.2 11,-0.1 2,-0.3 0.620 126.0 -60.1 -89.1 -16.9 44.4 4.9 13.2 8 11 A G E < -AB 5 18A 0 -3,-0.6 -3,-2.4 10,-0.3 2,-0.6 -0.988 64.5 -50.8 162.2-169.0 46.0 7.3 10.7 9 12 A I E -AB 4 17A 1 8,-2.4 8,-3.0 -2,-0.3 2,-0.8 -0.881 43.4-139.1-107.1 118.1 45.7 9.7 7.8 10 13 A K E + B 0 16A 85 -7,-3.0 6,-0.2 -2,-0.6 3,-0.1 -0.694 22.8 176.8 -81.6 112.1 43.8 8.5 4.8 11 14 A V - 0 0 12 4,-2.0 2,-0.2 -2,-0.8 -1,-0.2 0.928 64.2 -37.9 -78.8 -50.6 45.6 9.6 1.7 12 15 A N S S- 0 0 17 3,-1.6 -1,-0.3 -9,-0.0 3,-0.2 -0.845 81.0 -64.3-157.8-169.3 43.3 8.0 -0.9 13 16 A D S S+ 0 0 95 -2,-0.2 3,-0.1 1,-0.2 315,-0.0 0.679 133.3 33.0 -63.9 -18.3 41.2 4.8 -1.3 14 17 A E S S+ 0 0 86 1,-0.1 65,-2.8 64,-0.1 2,-0.5 0.613 111.1 64.0-109.9 -21.0 44.4 2.6 -1.3 15 18 A I E + C 0 78A 2 63,-0.2 -4,-2.0 -3,-0.2 -3,-1.6 -0.939 47.2 171.1-121.8 126.5 46.8 4.5 1.0 16 19 A T E -BC 10 77A 29 61,-2.1 61,-3.1 -2,-0.5 2,-0.8 -0.995 27.0-140.6-126.5 137.4 46.6 5.1 4.7 17 20 A L E -BC 9 76A 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.3 -0.866 30.9-149.3 -97.3 105.2 49.5 6.6 6.8 18 21 A L E -BC 8 75A 11 57,-3.2 57,-2.6 -2,-0.8 -10,-0.3 -0.565 12.6-122.9 -85.1 137.1 49.3 4.6 10.0 19 22 A Y - 0 0 78 -12,-2.2 55,-0.1 -2,-0.3 -1,-0.1 -0.543 51.0 -94.0 -65.6 135.4 50.2 5.8 13.4 20 23 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.187 51.3 171.1 -58.7 148.5 52.9 3.3 14.7 21 24 A A > - 0 0 27 -3,-0.1 3,-1.6 1,-0.0 4,-0.2 -0.970 43.7-116.2-154.7 150.0 51.8 0.4 16.9 22 25 A L G > S+ 0 0 94 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.781 108.5 71.0 -61.6 -30.2 53.6 -2.7 18.2 23 26 A K G 3 S+ 0 0 168 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.724 93.5 58.3 -57.5 -24.0 51.3 -5.0 16.1 24 27 A Y G <> S+ 0 0 31 -3,-1.6 4,-2.8 1,-0.2 -1,-0.3 0.560 79.4 93.3 -82.6 -10.5 53.1 -3.8 13.0 25 28 A A H <> S+ 0 0 5 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 0.876 84.1 47.6 -54.6 -47.6 56.5 -4.9 14.2 26 29 A E H > S+ 0 0 127 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.948 115.8 42.5 -61.1 -51.8 56.5 -8.3 12.5 27 30 A E H > S+ 0 0 75 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.889 115.4 50.4 -64.0 -40.5 55.4 -7.1 9.1 28 31 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.939 111.2 48.6 -63.3 -47.3 57.7 -4.0 9.2 29 32 A Y H X S+ 0 0 37 -4,-2.8 4,-2.9 -5,-0.3 -2,-0.2 0.923 110.9 49.8 -58.5 -47.1 60.7 -6.2 10.1 30 33 A L H X S+ 0 0 95 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.888 110.7 50.6 -61.1 -38.9 59.9 -8.7 7.4 31 34 A L H X S+ 0 0 22 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.927 112.1 46.1 -64.2 -46.7 59.6 -5.9 4.8 32 35 A I H >X S+ 0 0 5 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.936 111.8 52.6 -60.1 -46.1 63.0 -4.4 5.9 33 36 A N H >< S+ 0 0 72 -4,-2.9 3,-1.0 1,-0.2 4,-0.3 0.906 106.8 51.9 -57.3 -44.6 64.6 -7.8 5.8 34 37 A Q H 3< S+ 0 0 154 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.800 119.3 36.8 -60.4 -30.6 63.4 -8.4 2.2 35 38 A N H S+ 0 0 142 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.923 117.8 38.9 -61.3 -46.6 70.6 -5.3 0.4 38 41 A N H >4 S+ 0 0 61 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.900 115.0 53.8 -68.5 -39.1 69.0 -2.6 -1.8 39 42 A F H >X S+ 0 0 8 -4,-2.9 3,-1.9 1,-0.3 4,-1.8 0.839 96.3 65.2 -66.0 -35.5 68.3 -0.3 1.2 40 43 A I H 3< S+ 0 0 73 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.792 92.4 66.6 -58.8 -25.8 71.8 -0.4 2.5 41 44 A K T << S+ 0 0 165 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.743 117.2 20.0 -66.0 -24.1 72.8 1.4 -0.7 42 45 A S T <4 S+ 0 0 44 -3,-1.9 2,-0.3 -4,-0.3 97,-0.2 0.492 122.7 44.9-125.9 -8.7 70.8 4.6 0.3 43 46 A M < - 0 0 9 -4,-1.8 4,-0.2 1,-0.1 -1,-0.2 -0.978 59.5-145.7-141.3 150.0 70.3 4.5 4.1 44 47 A A S > S+ 0 0 47 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 0.910 88.6 62.2 -83.4 -43.5 72.6 3.7 7.0 45 48 A W G > S+ 0 0 54 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.717 85.2 71.4 -62.1 -29.4 70.2 2.1 9.5 46 49 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.821 85.6 69.0 -62.0 -26.2 69.1 -1.0 7.5 47 50 A A G < S+ 0 0 41 -3,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.710 103.5 44.9 -60.5 -19.8 72.6 -2.7 7.9 48 51 A F G < S+ 0 0 151 -3,-1.8 2,-1.1 -4,-0.2 -1,-0.3 0.305 80.3 106.1-112.2 7.1 71.8 -3.1 11.6 49 52 A V < + 0 0 15 -3,-1.6 3,-0.1 -4,-0.2 -13,-0.1 -0.759 35.9 147.7 -89.4 99.0 68.2 -4.4 11.5 50 53 A N + 0 0 107 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.566 56.7 16.1-115.3 -14.1 68.8 -8.1 12.4 51 54 A N S >> S- 0 0 69 1,-0.1 3,-1.8 0, 0.0 4,-0.9 -0.980 79.7 -98.7-154.8 163.5 65.7 -9.2 14.2 52 55 A I H 3> S+ 0 0 74 -2,-0.3 4,-2.4 1,-0.3 3,-0.4 0.818 116.6 68.6 -52.5 -33.9 62.1 -8.3 15.0 53 56 A S H 3> S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.798 94.0 56.9 -58.3 -30.6 63.3 -6.8 18.3 54 57 A D H <> S+ 0 0 58 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.895 108.3 46.0 -67.1 -39.5 65.1 -4.1 16.4 55 58 A S H X S+ 0 0 3 -4,-0.9 4,-2.6 -3,-0.4 -2,-0.2 0.873 109.7 54.7 -70.6 -36.7 61.8 -3.1 14.7 56 59 A V H X S+ 0 0 41 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.949 109.1 48.3 -56.8 -49.2 60.0 -3.3 18.1 57 60 A S H X S+ 0 0 68 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.898 110.8 50.7 -59.6 -42.0 62.6 -0.8 19.5 58 61 A F H X S+ 0 0 58 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.914 111.3 48.0 -60.7 -45.8 62.1 1.5 16.5 59 62 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.929 110.8 51.6 -61.0 -45.5 58.3 1.4 17.0 60 63 A E H X S+ 0 0 95 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.937 113.7 43.0 -57.6 -48.4 58.7 2.2 20.7 61 64 A Q H X S+ 0 0 103 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.893 112.0 54.5 -65.9 -40.0 61.0 5.2 20.1 62 65 A S H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 11,-0.3 0.884 106.6 51.3 -61.0 -40.9 58.8 6.4 17.2 63 66 A M H X S+ 0 0 62 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.877 110.6 49.0 -65.1 -37.3 55.7 6.4 19.5 64 67 A I H X S+ 0 0 95 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.946 113.5 45.9 -65.4 -47.2 57.6 8.4 22.1 65 68 A D H <>S+ 0 0 26 -4,-2.7 5,-2.1 1,-0.2 6,-1.0 0.903 113.1 49.9 -64.3 -39.9 58.7 10.9 19.5 66 69 A N H ><5S+ 0 0 30 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.930 107.7 54.2 -62.3 -46.2 55.2 11.2 17.9 67 70 A Q H 3<5S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.873 115.8 39.1 -52.2 -42.2 53.7 11.7 21.4 68 71 A N T 3<5S- 0 0 112 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.334 109.2-120.7 -96.5 6.3 56.0 14.7 22.0 69 72 A E T < 5S+ 0 0 113 -3,-1.3 -3,-0.2 -4,-0.4 -4,-0.1 0.750 75.9 127.5 57.0 27.8 55.9 16.1 18.4 70 73 A K S -CD 15 81A 20 3,-3.0 3,-2.1 -2,-0.6 2,-0.3 -0.970 65.6 -45.0-116.5 116.1 49.0 0.3 0.6 79 82 A K T 3 S- 0 0 122 -65,-2.8 -63,-0.1 -2,-0.5 -2,-0.0 -0.483 126.6 -22.0 56.0-120.2 45.9 -1.9 0.2 80 83 A T T 3 S+ 0 0 108 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.511 124.4 79.1 -93.8 -4.7 46.3 -4.6 2.9 81 84 A K E < S-D 78 0A 116 -3,-2.1 -3,-3.0 -54,-0.0 2,-0.5 -0.781 79.1-116.2-114.9 146.0 50.1 -4.3 3.3 82 85 A I E -D 77 0A 5 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.673 32.8-178.7 -69.0 125.9 52.7 -2.2 5.0 83 86 A A E - 0 0 0 -7,-3.3 22,-2.7 -2,-0.5 2,-0.3 0.598 49.7 -69.0-103.5 -21.3 54.6 -0.6 2.1 84 87 A G E -DE 76 104A 0 -8,-0.9 -8,-2.4 20,-0.2 2,-0.4 -0.984 57.8 -64.6 159.5-155.7 57.2 1.5 3.9 85 88 A V E -DE 75 103A 0 18,-1.8 18,-2.1 -2,-0.3 2,-0.4 -0.970 26.8-172.9-133.2 142.1 57.6 4.5 6.1 86 89 A V E +DE 74 102A 1 -12,-2.1 -12,-2.1 -2,-0.4 2,-0.3 -0.993 25.1 164.9-131.3 144.2 57.1 8.3 5.6 87 90 A S E -DE 73 101A 1 14,-2.6 14,-2.2 -2,-0.4 2,-0.8 -0.983 53.0-127.0-150.2 154.8 58.1 10.7 8.2 88 91 A F E -DE 72 100A 0 -16,-2.4 -16,-2.4 -2,-0.3 12,-0.3 -0.964 35.9-168.5 -93.0 101.3 58.8 14.1 9.5 89 92 A N E S+ 0 0 34 10,-2.1 2,-0.4 -2,-0.8 11,-0.1 0.857 73.3 14.4 -56.3 -40.4 62.2 13.0 10.8 90 93 A I E - E 0 99A 91 9,-0.9 9,-2.5 -3,-0.1 2,-0.5 -0.996 65.9-158.6-139.1 133.0 62.6 16.2 12.7 91 94 A I E - E 0 98A 23 -21,-1.8 2,-1.0 -2,-0.4 7,-0.2 -0.980 6.7-161.1-110.9 115.2 60.0 18.9 13.5 92 95 A D E > - E 0 97A 45 5,-3.2 5,-2.2 -2,-0.5 4,-0.3 -0.836 10.2-177.2 -93.2 97.5 61.5 22.3 14.2 93 96 A H T > 5S+ 0 0 97 -2,-1.0 3,-1.3 1,-0.2 -1,-0.2 0.918 76.4 56.3 -65.3 -44.9 58.7 24.0 16.1 94 97 A A T 3 5S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.853 120.1 31.6 -55.7 -38.7 60.4 27.4 16.5 95 98 A N T 3 5S- 0 0 107 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.256 104.8-125.7-105.5 10.7 60.9 27.7 12.8 96 99 A K T < 5 + 0 0 93 -3,-1.3 36,-2.5 -4,-0.3 37,-2.0 0.885 61.7 144.2 43.2 52.5 57.8 25.8 11.7 97 100 A T E < -Ef 92 133A 9 -5,-2.2 -5,-3.2 35,-0.2 2,-0.4 -0.958 35.3-164.2-125.6 134.9 60.0 23.4 9.6 98 101 A A E -Ef 91 134A 0 35,-2.4 37,-2.5 -2,-0.4 2,-0.6 -0.980 9.8-150.2-120.5 132.8 59.6 19.7 8.9 99 102 A Y E -Ef 90 135A 63 -9,-2.5 -10,-2.1 -2,-0.4 -9,-0.9 -0.908 22.7-143.8-102.1 121.3 62.3 17.5 7.5 100 103 A I E +Ef 88 136A 4 35,-3.3 37,-0.6 -2,-0.6 2,-0.3 -0.660 20.6 177.5 -95.2 138.3 60.9 14.6 5.5 101 104 A G E +E 87 0A 3 -14,-2.2 -14,-2.6 -2,-0.3 2,-0.3 -0.927 7.6 164.9-128.6 160.6 62.1 11.0 5.2 102 105 A Y E -E 86 0A 29 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.980 14.6-179.8-165.7 157.8 60.7 8.0 3.3 103 106 A W E -E 85 0A 11 -18,-2.1 -18,-1.8 -2,-0.3 2,-0.3 -0.944 7.7-162.6-157.9 153.1 61.3 4.5 2.0 104 107 A L E -E 84 0A 20 -2,-0.3 -20,-0.2 -20,-0.2 5,-0.1 -0.994 28.7-110.4-131.1 141.5 59.3 1.9 0.1 105 108 A G >> - 0 0 0 -22,-2.7 3,-2.3 -2,-0.3 4,-0.7 -0.339 39.6-107.8 -59.0 151.2 59.8 -1.8 -0.4 106 109 A A G >4 S+ 0 0 49 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.850 119.7 57.7 -51.4 -40.2 60.8 -2.8 -3.9 107 110 A N G 34 S+ 0 0 141 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.571 108.7 47.4 -70.9 -6.9 57.4 -4.3 -4.6 108 111 A F G X4 S+ 0 0 19 -3,-2.3 3,-0.6 -25,-0.2 5,-0.4 0.438 88.6 103.8-112.3 -5.3 55.8 -1.0 -3.7 109 112 A Q T << S+ 0 0 75 -3,-1.0 -4,-0.0 -4,-0.7 -3,-0.0 -0.417 70.5 37.6 -76.6 153.5 58.0 1.3 -5.8 110 113 A G T 3 S+ 0 0 89 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.662 90.4 96.5 81.6 18.9 56.7 2.8 -9.1 111 114 A K S < S- 0 0 98 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.285 94.3-114.0-121.3 4.5 53.2 3.3 -7.8 112 115 A G S > S+ 0 0 36 3,-0.1 4,-2.6 1,-0.1 5,-0.2 0.623 72.0 136.7 71.8 13.4 53.2 7.0 -6.8 113 116 A I H > S+ 0 0 1 -5,-0.4 4,-2.2 2,-0.2 5,-0.1 0.912 70.6 40.2 -64.8 -45.7 52.8 6.0 -3.1 114 117 A V H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.915 114.0 53.7 -72.3 -40.4 55.4 8.4 -1.6 115 118 A T H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.943 112.4 45.3 -53.7 -49.4 54.4 11.3 -3.9 116 119 A N H X S+ 0 0 18 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.902 113.3 50.2 -62.7 -42.1 50.8 10.8 -2.8 117 120 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.925 111.6 47.3 -60.7 -47.7 51.8 10.5 0.9 118 121 A I H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.935 110.1 52.1 -61.7 -47.2 53.9 13.7 0.8 119 122 A N H X S+ 0 0 25 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.909 110.7 49.2 -56.8 -42.3 51.3 15.7 -1.0 120 123 A K H X S+ 0 0 24 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.922 111.1 48.6 -62.9 -46.1 48.7 14.7 1.7 121 124 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.884 110.9 50.4 -61.7 -39.5 51.1 15.6 4.6 122 125 A I H X>S+ 0 0 9 -4,-2.6 4,-1.9 2,-0.2 5,-1.1 0.888 111.5 48.8 -69.3 -36.7 51.8 19.0 3.1 123 126 A Q H X5S+ 0 0 29 -4,-2.2 4,-1.0 -5,-0.2 5,-0.4 0.966 116.1 43.1 -59.8 -52.1 48.1 19.7 2.6 124 127 A E H <5S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 6,-0.2 0.892 129.5 24.1 -67.0 -43.0 47.4 18.6 6.2 125 128 A Y H <>S+ 0 0 59 -4,-2.8 6,-2.5 -5,-0.2 5,-1.0 0.733 128.3 43.0 -94.5 -28.3 50.3 20.4 8.0 126 129 A G H ><5S+ 0 0 2 -4,-1.9 3,-1.5 -5,-0.5 -3,-0.2 0.921 113.3 45.4 -87.0 -50.9 51.1 23.1 5.5 127 130 A D T 3< - 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0 0 0 -22,-2.8 3,-2.4 -2,-0.4 4,-0.4 -0.387 38.8-110.6 -59.0 147.5 38.8 5.9 -23.4 287 109 B A G > S+ 0 0 52 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.828 117.2 62.3 -54.0 -35.4 39.2 2.6 -21.5 288 110 B N G 3 S+ 0 0 123 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.647 107.3 45.6 -65.0 -13.7 42.1 1.6 -23.7 289 111 B F G X S+ 0 0 26 -3,-2.4 3,-0.6 -25,-0.2 5,-0.4 0.363 90.1 105.8-111.9 1.0 44.0 4.7 -22.4 290 112 B Q T < + 0 0 70 -3,-1.3 -4,-0.0 -4,-0.4 -3,-0.0 -0.419 65.5 40.9 -80.0 156.0 43.2 4.3 -18.7 291 113 B G T 3 S+ 0 0 83 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.567 90.3 92.6 88.3 12.3 45.7 3.2 -16.1 292 114 B K S < S- 0 0 101 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.279 95.6-112.1-123.0 5.8 48.6 5.2 -17.5 293 115 B G S > S+ 0 0 32 3,-0.1 4,-2.7 1,-0.0 5,-0.2 0.635 71.0 138.4 72.3 16.0 48.6 8.5 -15.6 294 116 B I H > S+ 0 0 1 -5,-0.4 4,-2.2 1,-0.2 5,-0.1 0.911 71.2 39.5 -64.7 -46.5 47.6 10.4 -18.8 295 117 B V H > S+ 0 0 7 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.912 115.0 53.4 -71.4 -41.0 45.0 12.7 -17.2 296 118 B T H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.942 112.7 44.4 -56.1 -47.6 47.1 13.3 -14.1 297 119 B N H X S+ 0 0 64 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.900 113.7 50.6 -65.9 -38.6 50.0 14.3 -16.3 298 120 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.936 111.8 46.6 -62.5 -48.3 47.8 16.4 -18.5 299 121 B I H X S+ 0 0 1 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.915 109.3 54.6 -62.2 -42.9 46.3 18.3 -15.5 300 122 B N H X S+ 0 0 69 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.911 110.5 47.4 -57.5 -41.1 49.7 18.8 -13.9 301 123 B K H X S+ 0 0 28 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.915 111.5 49.1 -66.0 -44.6 50.9 20.5 -17.1 302 124 B L H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.882 110.8 50.4 -63.3 -38.5 47.8 22.7 -17.4 303 125 B I H X S+ 0 0 14 -4,-2.6 4,-2.2 2,-0.2 5,-0.4 0.905 111.3 49.2 -68.3 -39.7 48.1 23.8 -13.8 304 126 B Q H X S+ 0 0 86 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.959 115.4 44.1 -58.0 -51.2 51.8 24.6 -14.5 305 127 B E H X S+ 0 0 28 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.934 123.2 33.1 -62.7 -50.8 50.9 26.6 -17.6 306 128 B Y H <>S+ 0 0 54 -4,-2.8 6,-2.0 2,-0.2 5,-0.9 0.767 120.8 50.0 -83.2 -26.5 47.9 28.5 -16.3 307 129 B G H ><5S+ 0 0 6 -4,-2.2 3,-1.2 -5,-0.4 -3,-0.2 0.915 110.4 49.8 -71.3 -46.7 49.2 28.9 -12.7 308 130 B D H 3<5S+ 0 0 130 -4,-2.6 -2,-0.2 -5,-0.4 -3,-0.2 0.821 107.8 54.4 -60.2 -35.6 52.7 30.2 -13.9 309 131 B S T 3<5S- 0 0 74 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.532 109.3-121.9 -79.7 -9.1 51.1 32.8 -16.1 310 132 B G T < 5S+ 0 0 30 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.495 82.4 115.1 81.3 4.8 49.0 34.2 -13.3 311 133 B V S - O 0 354B 16 -2,-0.3 3,-1.8 34,-0.3 34,-0.3 -0.223 36.6-125.4 -52.7 136.0 30.0 12.4 -8.2 321 143 B V T 3 S+ 0 0 66 32,-2.3 -1,-0.1 1,-0.3 33,-0.1 0.882 109.0 53.5 -55.7 -41.5 31.0 10.8 -4.9 322 144 B D T 3 S+ 0 0 146 31,-0.3 2,-1.4 1,-0.1 -1,-0.3 0.557 81.2 99.1 -72.7 -8.1 30.4 7.2 -6.2 323 145 B N <> - 0 0 48 -3,-1.8 4,-1.9 1,-0.2 5,-0.2 -0.639 54.1-177.2 -83.8 90.3 32.7 7.8 -9.2 324 146 B K H > S+ 0 0 128 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.899 75.0 44.6 -59.3 -48.8 35.8 6.0 -7.8 325 147 B K H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 111.1 53.6 -68.8 -35.3 38.3 6.7 -10.6 326 148 B S H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 111.3 46.1 -67.8 -39.2 37.3 10.3 -11.0 327 149 B N H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.887 109.2 55.2 -67.0 -39.9 37.9 11.0 -7.3 328 150 B A H X S+ 0 0 21 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.895 106.6 52.0 -60.5 -39.8 41.2 9.1 -7.4 329 151 B T H X S+ 0 0 20 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.933 107.2 51.0 -62.0 -47.7 42.4 11.4 -10.2 330 152 B A H <>S+ 0 0 0 -4,-1.7 5,-2.0 1,-0.2 -1,-0.2 0.928 114.0 45.1 -55.6 -45.5 41.6 14.6 -8.3 331 153 B L H ><5S+ 0 0 45 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.898 109.4 55.3 -66.4 -40.7 43.5 13.3 -5.3 332 154 B R H 3<5S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 103.3 56.9 -59.4 -34.8 46.4 12.1 -7.5 333 155 B C T 3<5S- 0 0 4 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.351 123.2-105.7 -81.0 3.5 46.7 15.6 -8.9 334 156 B G T < 5 + 0 0 10 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.723 67.7 151.5 80.7 23.3 47.2 17.0 -5.4 335 157 B F < - 0 0 0 -5,-2.0 2,-0.4 -6,-0.2 -1,-0.3 -0.583 38.4-133.9 -82.9 151.2 43.7 18.5 -5.0 336 158 B T E -P 358 0B 49 22,-2.9 22,-2.2 -2,-0.2 2,-0.4 -0.885 19.1-116.6-107.1 134.4 42.1 18.8 -1.5 337 159 B L E -P 357 0B 72 -2,-0.4 20,-0.3 20,-0.2 3,-0.1 -0.560 29.5-178.9 -67.2 121.9 38.5 17.8 -0.8 338 160 B E E - 0 0 97 18,-3.2 2,-0.3 -2,-0.4 19,-0.2 0.751 53.9 -66.4 -93.0 -29.6 36.6 21.0 0.2 339 161 B G E -P 356 0B 27 17,-1.2 17,-2.5 2,-0.0 2,-0.5 -0.982 52.9 -66.9 166.4-172.6 33.2 19.3 0.8 340 162 B V E -P 355 0B 73 -2,-0.3 2,-0.9 15,-0.2 15,-0.2 -0.938 29.9-149.3-113.8 121.8 30.2 17.5 -0.5 341 163 B L E > -P 354 0B 58 13,-3.0 13,-2.6 -2,-0.5 3,-0.8 -0.830 29.4-131.2 -89.5 106.8 27.8 19.2 -2.8 342 164 B Q E 3 S- 0 0 159 -2,-0.9 11,-0.1 1,-0.2 10,-0.1 -0.419 73.4 -16.5 -69.3 128.3 24.5 17.5 -2.0 343 165 B K E 3 S+ 0 0 126 -2,-0.2 10,-0.3 8,-0.1 -1,-0.2 0.880 91.6 141.3 50.8 51.9 22.3 16.2 -4.9 344 166 B A E < + 0 0 49 8,-1.4 2,-0.4 -3,-0.8 9,-0.2 0.547 48.5 52.8-108.0 -13.8 24.3 18.4 -7.4 345 167 B E E -P 352 0B 19 7,-2.0 7,-2.9 -4,-0.2 2,-0.5 -0.979 65.6-149.4-132.7 125.7 24.7 16.3 -10.5 346 168 B I E +P 351 0B 109 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.796 21.4 166.8 -94.7 123.7 21.9 14.5 -12.5 347 169 B L E > S-P 350 0B 7 3,-2.3 3,-1.8 -2,-0.5 -122,-0.1 -0.998 71.8 -9.9-131.5 133.2 22.6 11.3 -14.3 348 170 B N T 3 S- 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.858 131.0 -51.2 48.9 43.3 19.9 9.0 -15.7 349 171 B G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.513 116.4 105.8 79.7 7.6 17.2 11.0 -13.9 350 172 B V E < - P 0 347B 68 -3,-1.8 -3,-2.3 -5,-0.0 2,-0.5 -0.964 64.6-133.0-124.1 135.5 18.8 10.9 -10.4 351 173 B S E - P 0 346B 52 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.767 28.8-167.3 -85.6 126.8 20.5 13.7 -8.5 352 174 B Y E - P 0 345B 90 -7,-2.9 -7,-2.0 -2,-0.5 -8,-1.4 -0.890 23.2-109.5-116.3 145.4 23.8 12.6 -7.0 353 175 B D E - 0 0 49 -2,-0.3 -32,-2.3 -10,-0.3 2,-0.4 -0.411 34.4-151.3 -62.1 143.5 26.1 14.1 -4.4 354 176 B Q E -OP 320 341B 2 -13,-2.6 -13,-3.0 -34,-0.3 2,-0.4 -0.914 10.4-134.3-114.6 147.3 29.4 15.5 -5.7 355 177 B N E -OP 319 340B 16 -36,-3.2 -36,-2.0 -2,-0.4 2,-0.5 -0.841 21.2-150.5 -85.1 136.4 32.8 15.9 -4.1 356 178 B I E -OP 318 339B 24 -17,-2.5 -18,-3.2 -2,-0.4 -17,-1.2 -0.963 17.1-177.1-111.6 126.1 34.3 19.3 -4.8 357 179 B Y E -OP 317 337B 9 -40,-3.0 -40,-2.2 -2,-0.5 2,-0.3 -0.895 3.4-167.3-117.8 150.0 38.1 19.5 -4.8 358 180 B S E -OP 316 336B 9 -22,-2.2 -22,-2.9 -2,-0.3 2,-0.4 -0.960 16.8-164.3-135.4 156.0 40.5 22.4 -5.3 359 181 B K E -O 315 0B 56 -44,-2.2 -44,-2.7 -2,-0.3 2,-0.4 -0.967 19.6-164.2-133.2 121.3 44.1 23.2 -5.9 360 182 B V E O 314 0B 94 -2,-0.4 -46,-0.2 -46,-0.2 -47,-0.1 -0.905 360.0 360.0-113.6 130.7 45.1 26.7 -5.2 361 183 B I 0 0 91 -48,-2.8 -2,-0.0 -2,-0.4 0, 0.0 -0.759 360.0 360.0 -96.0 360.0 48.3 28.3 -6.4 362 !* 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 0.0 363 500 A X 0 0 117 0, 0.0 -274,-0.1 0, 0.0 -225,-0.1 0.000 360.0 360.0 360.0 360.0 67.5 11.3 4.9 364 !* 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 0.0 365 500 B X 0 0 115 0, 0.0 -95,-0.1 0, 0.0 -141,-0.1 0.000 360.0 360.0 360.0 360.0 32.3 16.9 -14.3