==== 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 BIOSYNTHETIC PROTEIN 22-MAY-06 2H3G . COMPND 2 MOLECULE: BIOSYNTHETIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; . AUTHOR N.I.NICELY . 247 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 13.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 0 1 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 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 . 0 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 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 1 X M 0 0 42 0, 0.0 57,-3.2 0, 0.0 58,-1.0 0.000 360.0 360.0 360.0 158.0 32.4 26.7 3.6 2 2 X I E -Ab 17 59A 16 15,-1.9 15,-2.9 55,-0.2 2,-0.4 -0.958 360.0-150.2-115.3 131.8 34.6 29.7 4.2 3 3 X F E -Ab 16 60A 1 56,-2.8 58,-2.2 -2,-0.4 2,-0.4 -0.850 13.3-168.0-103.5 129.9 33.3 32.7 6.3 4 4 X V E -Ab 15 61A 0 11,-3.0 11,-2.1 -2,-0.4 2,-0.4 -0.908 4.2-168.0-117.1 148.7 34.7 36.2 5.5 5 5 X L E -Ab 14 62A 3 56,-1.8 58,-2.7 -2,-0.4 2,-0.6 -0.984 8.2-173.4-138.5 127.6 34.3 39.3 7.6 6 6 X D E -Ab 13 63A 27 7,-2.4 7,-2.4 -2,-0.4 2,-0.6 -0.944 16.5-166.3-119.1 104.7 35.1 42.9 6.5 7 7 X V E -Ab 12 64A 5 56,-3.8 58,-1.4 -2,-0.6 5,-0.3 -0.832 5.9-174.1-103.0 120.3 34.7 45.2 9.5 8 8 X G - 0 0 20 3,-3.4 58,-0.0 -2,-0.6 22,-0.0 -0.580 41.3-103.2-103.8 172.9 34.6 49.0 9.0 9 9 X N S S+ 0 0 66 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.916 123.1 13.0 -54.0 -43.8 34.5 51.9 11.5 10 10 X T S S+ 0 0 68 1,-0.2 20,-2.9 19,-0.1 2,-0.3 0.849 131.4 33.1-105.2 -47.0 30.8 52.2 10.7 11 11 X N E - C 0 29A 59 18,-0.3 -3,-3.4 20,-0.0 2,-0.3 -0.848 53.8-158.0-120.2 151.3 29.8 49.1 8.9 12 12 X A E -AC 7 28A 8 16,-3.5 16,-2.1 -2,-0.3 2,-0.4 -0.975 6.8-162.6-116.4 144.0 30.6 45.3 8.8 13 13 X V E -AC 6 27A 14 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.3 -0.990 8.3-168.7-124.9 130.6 29.9 42.9 5.9 14 14 X L E +AC 5 26A 7 12,-3.2 12,-2.4 -2,-0.4 2,-0.3 -0.843 7.2 178.1-113.9 152.1 29.9 39.2 6.4 15 15 X G E -AC 4 25A 0 -11,-2.1 -11,-3.0 -2,-0.3 2,-0.4 -0.994 21.0-148.4-150.6 156.2 29.8 36.5 3.8 16 16 X V E -AC 3 24A 0 8,-2.2 7,-3.0 -2,-0.3 8,-1.3 -0.988 14.8-156.1-121.5 131.0 29.9 32.7 3.4 17 17 X F E -AC 2 22A 5 -15,-2.9 -15,-1.9 -2,-0.4 2,-0.5 -0.893 6.0-169.2-105.6 132.9 31.5 31.1 0.3 18 18 X E E > S- C 0 21A 68 3,-3.2 3,-1.8 -2,-0.4 -2,-0.0 -0.996 76.8 -12.1-124.9 123.9 30.5 27.6 -0.8 19 19 X E T 3 S- 0 0 181 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.901 130.6 -54.5 49.5 48.9 32.6 25.9 -3.5 20 20 X G T 3 S+ 0 0 26 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.487 118.0 108.8 67.5 4.1 34.4 29.2 -4.2 21 21 X E E < S-C 18 0A 142 -3,-1.8 -3,-3.2 0, 0.0 2,-0.5 -0.905 78.5-109.4-111.3 147.7 31.1 31.1 -4.8 22 22 X L E +C 17 0A 43 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.586 36.1 178.6 -72.6 116.0 29.5 33.7 -2.5 23 23 X R E - 0 0 87 -7,-3.0 2,-0.3 -2,-0.5 -1,-0.2 0.864 61.9 -11.3 -87.6 -42.2 26.5 32.0 -1.2 24 24 X Q E -C 16 0A 60 -8,-1.3 -8,-2.2 2,-0.0 -1,-0.3 -0.986 56.5-162.1-157.8 154.1 25.2 34.8 1.1 25 25 X H E -C 15 0A 72 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.949 4.2-164.6-138.0 157.4 26.3 38.1 2.5 26 26 X W E -C 14 0A 38 -12,-2.4 -12,-3.2 -2,-0.3 2,-0.3 -0.994 5.3-154.6-143.9 142.3 25.0 40.2 5.4 27 27 X R E +C 13 0A 140 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.875 21.2 154.9-120.8 153.1 25.6 43.8 6.3 28 28 X M E -C 12 0A 44 -16,-2.1 -16,-3.5 -2,-0.3 2,-0.2 -0.979 45.0 -86.9-164.6 161.2 25.4 45.5 9.7 29 29 X E E -C 11 0A 140 -2,-0.3 -18,-0.3 -18,-0.3 2,-0.2 -0.538 49.7-110.2 -74.0 138.1 26.7 48.5 11.8 30 30 X T - 0 0 17 -20,-2.9 2,-0.5 -2,-0.2 -1,-0.1 -0.566 35.2-155.2 -67.8 134.4 29.9 47.9 13.6 31 31 X D > - 0 0 39 -2,-0.2 3,-1.0 1,-0.1 -21,-0.1 -0.917 21.7-176.8-124.0 101.8 29.1 47.6 17.3 32 32 X R T 3 S+ 0 0 133 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.573 86.4 60.5 -67.6 -9.7 31.9 48.4 19.8 33 33 X H T 3 S+ 0 0 167 2,-0.1 -1,-0.2 36,-0.0 2,-0.2 0.608 82.3 102.7 -91.1 -16.3 29.4 47.5 22.6 34 34 X K < - 0 0 64 -3,-1.0 2,-0.2 1,-0.1 38,-0.1 -0.476 61.0-142.7 -80.4 142.9 28.9 43.9 21.5 35 35 X T > - 0 0 67 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.506 29.4-101.7 -94.7 165.7 30.5 41.0 23.3 36 36 X E H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.872 123.7 49.3 -52.9 -42.6 31.9 37.8 21.8 37 37 X D H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.864 109.5 49.8 -68.4 -36.8 28.8 35.9 22.9 38 38 X E H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.845 111.7 49.5 -71.4 -33.3 26.4 38.5 21.4 39 39 X Y H X S+ 0 0 22 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.930 111.8 49.9 -60.7 -45.6 28.4 38.2 18.1 40 40 X G H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.935 111.6 47.7 -62.9 -45.4 28.2 34.4 18.3 41 41 X M H X S+ 0 0 105 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.837 113.3 47.3 -62.9 -38.0 24.4 34.6 18.9 42 42 X L H X S+ 0 0 52 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.935 113.5 48.1 -68.3 -45.6 23.9 37.0 16.0 43 43 X V H X S+ 0 0 7 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.946 108.4 55.8 -59.5 -46.6 26.0 34.8 13.7 44 44 X K H X S+ 0 0 82 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.911 109.0 47.3 -49.3 -46.2 24.1 31.7 14.8 45 45 X Q H X S+ 0 0 105 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.885 111.0 49.6 -66.5 -40.6 20.9 33.4 13.8 46 46 X L H X S+ 0 0 26 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.911 114.2 46.4 -64.4 -44.2 22.2 34.6 10.4 47 47 X L H ><>S+ 0 0 2 -4,-3.1 5,-2.8 2,-0.2 3,-1.1 0.958 110.8 52.2 -61.9 -51.4 23.5 31.0 9.7 48 48 X E H ><5S+ 0 0 118 -4,-3.0 3,-1.7 -5,-0.3 -2,-0.2 0.908 108.5 49.6 -51.9 -47.7 20.2 29.4 10.8 49 49 X H H 3<5S+ 0 0 156 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.675 111.1 51.6 -70.1 -14.0 18.1 31.6 8.5 50 50 X E T <<5S- 0 0 40 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.409 122.3-106.8 -95.2 -4.0 20.4 30.7 5.6 51 51 X G T < 5S+ 0 0 62 -3,-1.7 2,-0.3 -4,-0.5 -3,-0.2 0.773 81.3 119.3 83.9 25.2 20.1 27.0 6.3 52 52 X L < - 0 0 9 -5,-2.8 -1,-0.3 -8,-0.1 2,-0.3 -0.833 48.2-152.5-124.0 163.5 23.5 26.7 7.8 53 53 X S > - 0 0 61 -2,-0.3 3,-1.4 -3,-0.1 4,-0.4 -0.805 38.0-105.1-121.7 167.1 25.2 25.7 11.1 54 54 X F G > S+ 0 0 39 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.890 119.9 65.9 -53.6 -39.3 28.6 26.8 12.6 55 55 X E G 3 S+ 0 0 150 1,-0.3 -1,-0.3 3,-0.0 26,-0.0 0.720 88.0 67.0 -57.3 -27.4 29.8 23.3 11.6 56 56 X D G < S+ 0 0 50 -3,-1.4 2,-0.5 2,-0.0 -1,-0.3 0.745 86.0 82.4 -68.6 -24.5 29.4 24.3 8.0 57 57 X V < + 0 0 5 -3,-2.0 -55,-0.2 -4,-0.4 3,-0.1 -0.749 47.2 168.2 -90.0 122.4 32.2 26.8 8.3 58 58 X K + 0 0 139 -57,-3.2 2,-0.3 -2,-0.5 -56,-0.2 0.473 66.1 21.6-112.1 -9.7 35.7 25.3 8.0 59 59 X G E -b 2 0A 2 -58,-1.0 -56,-2.8 24,-0.1 2,-0.4 -0.986 59.9-161.2-161.1 154.7 37.7 28.5 7.7 60 60 X I E -b 3 0A 2 -2,-0.3 26,-2.9 24,-0.2 2,-0.4 -1.000 4.0-172.7-144.5 134.9 37.5 32.2 8.5 61 61 X I E -bd 4 86A 0 -58,-2.2 -56,-1.8 -2,-0.4 2,-0.4 -0.994 10.5-166.0-127.0 136.7 39.2 35.3 7.3 62 62 X V E -bd 5 87A 4 24,-3.0 26,-2.6 -2,-0.4 2,-0.4 -0.981 10.4-171.8-124.1 135.3 38.7 38.8 8.9 63 63 X S E +b 6 0A 2 -58,-2.7 -56,-3.8 -2,-0.4 2,-0.3 -0.998 24.0 164.8-118.6 131.1 39.7 42.3 7.6 64 64 X S E -b 7 0A 29 -2,-0.4 -56,-0.2 24,-0.4 44,-0.1 -0.997 40.2-168.5-151.0 143.6 39.1 45.1 10.1 65 65 X V S S+ 0 0 82 -58,-1.4 -57,-0.1 -2,-0.3 -56,-0.1 0.123 78.3 84.1-114.2 17.5 40.1 48.7 10.8 66 66 X V >> + 0 0 3 -59,-0.2 3,-1.6 1,-0.2 4,-0.6 -0.808 50.3 178.0-126.2 86.8 38.7 48.6 14.4 67 67 X P H >> S+ 0 0 103 0, 0.0 3,-2.0 0, 0.0 4,-0.7 0.907 76.0 68.5 -57.9 -42.1 41.2 47.1 16.8 68 68 X P H 34 S+ 0 0 102 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 0.632 106.6 40.7 -56.8 -13.8 38.9 47.5 19.9 69 69 X I H <> S+ 0 0 5 -3,-1.6 4,-2.1 2,-0.1 5,-0.2 0.468 92.3 84.6-107.5 -2.3 36.6 44.8 18.4 70 70 X M H S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.869 114.2 48.7 -72.0 -43.0 35.9 39.8 20.7 73 73 X L H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.926 112.7 48.3 -65.0 -41.9 35.5 38.7 17.1 74 74 X E H X S+ 0 0 69 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.917 113.3 47.9 -60.6 -46.0 38.6 36.4 17.4 75 75 X R H X S+ 0 0 118 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.912 110.5 51.6 -62.5 -44.6 37.2 35.0 20.7 76 76 X M H X>S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.6 0.914 111.1 48.7 -53.4 -46.5 33.7 34.5 19.0 77 77 X C H X>S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 6,-1.5 0.965 113.8 45.9 -62.8 -48.2 35.4 32.6 16.1 78 78 X E H <5S+ 0 0 70 -4,-2.7 -1,-0.2 4,-0.3 -2,-0.2 0.870 120.0 39.9 -59.9 -39.9 37.4 30.4 18.5 79 79 X K H <5S+ 0 0 111 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.886 126.9 27.4 -78.4 -47.2 34.4 29.7 20.8 80 80 X Y H <5S+ 0 0 48 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.781 135.4 27.2 -89.8 -31.3 31.5 29.2 18.3 81 81 X F T < S- 0 0 25 -2,-0.5 3,-2.3 -26,-0.1 -2,-0.0 -0.948 71.1 -35.2-165.1 179.3 47.5 42.2 8.4 90 90 X P T 3 S+ 0 0 147 0, 0.0 3,-0.1 0, 0.0 14,-0.0 -0.296 126.0 27.2 -47.1 128.9 51.2 42.7 7.9 91 91 X G T 3 S+ 0 0 59 1,-0.4 2,-0.3 -3,-0.0 -3,-0.1 0.408 82.4 128.9 94.9 -2.0 52.6 39.5 6.7 92 92 X I < - 0 0 28 -3,-2.3 -1,-0.4 1,-0.0 2,-0.4 -0.685 61.9-121.5 -73.0 138.9 49.5 38.0 5.0 93 93 X K + 0 0 130 -2,-0.3 154,-0.1 150,-0.1 153,-0.1 -0.717 41.1 161.8 -87.8 135.1 50.5 36.9 1.5 94 94 X T - 0 0 22 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.595 44.7-128.0-127.7 -21.0 48.6 38.5 -1.4 95 95 X G + 0 0 58 1,-0.3 2,-0.5 151,-0.0 -2,-0.1 0.485 62.9 141.0 77.1 4.2 50.5 38.0 -4.6 96 96 X L - 0 0 25 48,-0.0 2,-0.9 1,-0.0 -1,-0.3 -0.671 50.2-142.5 -89.1 124.8 50.2 41.7 -5.2 97 97 X N E -e 144 0B 70 46,-0.6 48,-3.3 -2,-0.5 2,-0.6 -0.736 20.3-164.1 -79.9 107.0 53.1 43.7 -6.6 98 98 X I E +e 145 0B 42 -2,-0.9 48,-0.2 46,-0.2 46,-0.1 -0.864 22.4 167.8 -98.5 116.0 53.1 47.1 -4.8 99 99 X K + 0 0 118 46,-3.0 47,-0.2 -2,-0.6 -1,-0.1 0.585 43.5 116.4-100.9 -16.7 55.1 49.9 -6.4 100 100 X Y S S- 0 0 74 45,-1.4 47,-0.1 1,-0.1 6,-0.1 -0.237 73.3-129.1 -40.9 135.5 53.6 52.5 -4.2 101 101 X E S S+ 0 0 184 1,-0.3 3,-0.2 45,-0.2 -1,-0.1 0.762 104.5 50.6 -70.0 -26.1 56.4 54.0 -2.0 102 102 X N >> + 0 0 67 1,-0.2 3,-1.1 2,-0.1 4,-0.7 -0.488 63.8 156.8-107.8 61.4 54.3 53.5 1.1 103 103 X P G >4 S+ 0 0 60 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.866 74.8 52.3 -58.5 -36.4 53.3 49.8 0.8 104 104 X R G 34 S+ 0 0 254 1,-0.2 -2,-0.1 -3,-0.2 -3,-0.0 0.740 105.2 55.4 -71.8 -25.4 52.7 49.4 4.6 105 105 X E G <4 S+ 0 0 144 -3,-1.1 2,-0.4 2,-0.1 -1,-0.2 0.521 80.2 112.2 -86.1 -7.3 50.3 52.4 4.7 106 106 X V S << S- 0 0 16 -3,-1.0 5,-0.1 -4,-0.7 41,-0.0 -0.540 81.3-106.6 -64.2 121.4 48.0 51.0 2.0 107 107 X G >> - 0 0 35 -2,-0.4 4,-1.4 1,-0.1 3,-1.1 -0.204 23.3-123.1 -47.4 133.9 44.6 50.1 3.5 108 108 X A H 3> S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.848 112.2 52.2 -44.1 -43.9 44.2 46.3 3.9 109 109 X D H 3> S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.715 101.7 59.2 -76.4 -19.1 41.0 46.5 1.8 110 110 X R H <> S+ 0 0 44 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.858 109.6 45.2 -69.5 -37.9 42.7 48.4 -1.1 111 111 X I H X S+ 0 0 27 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.948 114.4 47.3 -67.8 -50.1 45.1 45.4 -1.3 112 112 X V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.887 113.7 48.6 -54.5 -49.3 42.1 42.9 -1.1 113 113 X N H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.841 111.1 50.0 -62.2 -39.3 40.2 44.9 -3.7 114 114 X A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.875 110.0 49.7 -68.2 -41.6 43.2 45.0 -6.0 115 115 X V H X S+ 0 0 20 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.952 117.5 41.2 -60.4 -50.6 43.8 41.2 -5.7 116 116 X A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.919 115.2 50.8 -62.7 -46.9 40.1 40.6 -6.5 117 117 X G H X>S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.7 0.896 111.6 46.1 -60.3 -46.6 39.9 43.2 -9.3 118 118 X I H X5S+ 0 0 25 -4,-2.4 4,-1.5 3,-0.2 -1,-0.2 0.942 116.8 45.2 -62.6 -47.4 43.0 42.0 -11.1 119 119 X H H <5S+ 0 0 140 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.886 124.7 32.5 -62.5 -41.4 41.9 38.4 -10.9 120 120 X L H <5S+ 0 0 71 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.709 136.2 18.0 -89.1 -26.2 38.3 39.1 -11.9 121 121 X Y H <5S- 0 0 64 -4,-2.7 -3,-0.2 1,-0.3 2,-0.2 0.483 93.9-134.6-129.6 -12.8 38.7 42.1 -14.3 122 122 X G << - 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