==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 10-MAY-10 3MYH . COMPND 2 MOLECULE: MYOSIN-2 HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR J.J.FRYE,V.A.KLENCHIN,C.R.BAGSHAW,I.RAYMENT . 708 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 473 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 10.6 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 40 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 1 4 3 3 1 1 1 0 3 0 2 0 1 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 6 1 4 1 1 2 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 4 1 0 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 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 X N >> 0 0 117 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 105.6 4.1 -35.7 -1.9 2 3 X P T 34 + 0 0 49 0, 0.0 6,-0.3 0, 0.0 3,-0.3 0.879 360.0 66.0 -58.1 -38.1 7.7 -35.0 -0.7 3 4 X I T 34 S+ 0 0 16 1,-0.2 5,-0.0 7,-0.1 138,-0.0 0.910 113.0 31.5 -44.1 -49.5 8.1 -38.6 0.5 4 5 X H T <4 S+ 0 0 144 -3,-0.7 2,-0.8 1,-0.1 -1,-0.2 0.632 98.9 92.6 -91.4 -11.3 7.9 -39.8 -3.1 5 6 X D >< - 0 0 73 -4,-1.4 3,-1.8 -3,-0.3 6,-0.4 -0.714 61.9-156.6 -91.6 109.7 9.5 -36.9 -4.8 6 7 X R T 3 S+ 0 0 81 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.0 0.621 90.6 56.5 -58.2 -14.8 13.2 -37.5 -5.2 7 8 X T T 3 S+ 0 0 113 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.557 82.6 110.8 -94.7 -15.0 13.9 -33.7 -5.5 8 9 X S S <> S- 0 0 15 -3,-1.8 4,-2.5 -6,-0.3 5,-0.1 -0.120 80.1-117.4 -56.7 155.8 12.3 -32.8 -2.2 9 10 X D H > S+ 0 0 94 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.901 116.8 61.0 -60.6 -38.7 14.3 -31.5 0.9 10 11 X Y H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.927 109.0 39.5 -53.0 -50.6 13.0 -34.7 2.6 11 12 X H H > S+ 0 0 49 -6,-0.4 4,-1.4 -9,-0.2 -1,-0.2 0.912 116.4 52.4 -63.2 -43.6 14.6 -36.9 0.1 12 13 X K H < S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 123.8 23.9 -62.4 -42.2 17.7 -34.8 0.0 13 14 X Y H < S+ 0 0 82 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.551 131.5 32.4-106.6 -8.6 18.3 -34.7 3.8 14 15 X L H < S+ 0 0 6 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.449 104.7 70.4-125.2 -3.1 16.6 -37.8 5.2 15 16 X K S < S- 0 0 52 -4,-1.4 2,-0.2 -5,-0.3 3,-0.1 -0.890 84.9-101.9-118.6 150.8 17.0 -40.5 2.5 16 17 X V - 0 0 54 -2,-0.3 3,-0.1 70,-0.2 -3,-0.1 -0.474 47.8-108.0 -66.2 135.6 19.9 -42.4 1.2 17 18 X K - 0 0 163 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.291 39.6 -92.6 -65.7 141.7 21.1 -40.9 -2.2 18 19 X Q - 0 0 169 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.348 43.6-130.2 -51.1 127.9 20.4 -43.0 -5.4 19 20 X G - 0 0 36 -3,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.430 21.6-125.7 -80.3 166.0 23.4 -45.2 -6.2 20 21 X D > - 0 0 91 -2,-0.1 4,-3.2 1,-0.0 5,-0.1 -0.410 29.6 -90.3-107.2 178.7 24.9 -45.2 -9.7 21 22 X S H > S+ 0 0 91 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.762 126.6 55.5 -59.9 -34.4 25.7 -47.9 -12.3 22 23 X D H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.935 111.5 43.8 -58.9 -48.0 29.2 -48.4 -10.9 23 24 X L H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.928 109.7 57.4 -70.2 -36.8 27.5 -49.1 -7.5 24 25 X F H X S+ 0 0 141 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.921 105.5 50.7 -55.0 -45.5 24.8 -51.3 -9.2 25 26 X K H X S+ 0 0 80 -4,-2.1 4,-0.8 1,-0.2 3,-0.4 0.929 112.0 46.5 -57.7 -46.1 27.6 -53.5 -10.6 26 27 X L H >< S+ 0 0 115 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.890 108.8 56.8 -65.2 -33.6 29.1 -53.8 -7.2 27 28 X T H 3< S+ 0 0 52 -4,-2.9 56,-0.3 1,-0.2 -1,-0.2 0.789 110.0 43.1 -70.6 -26.1 25.6 -54.5 -5.7 28 29 X V H 3< S+ 0 0 92 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.458 85.5 126.0 -98.0 -5.9 25.0 -57.6 -8.0 29 30 X S << - 0 0 50 -4,-0.8 -3,-0.0 -3,-0.6 -4,-0.0 -0.193 60.2-140.9 -46.7 141.9 28.5 -59.0 -7.6 30 31 X D + 0 0 100 2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.440 66.4 116.0 -82.4 -6.6 28.7 -62.6 -6.5 31 32 X K - 0 0 111 -5,-0.1 2,-0.3 19,-0.0 21,-0.1 -0.261 53.7-148.8 -64.7 157.6 31.7 -61.8 -4.2 32 33 X R - 0 0 99 19,-0.4 19,-3.0 49,-0.1 2,-0.3 -0.943 12.5-158.9-129.5 150.3 31.4 -62.2 -0.4 33 34 X Y E -A 50 0A 71 46,-0.4 46,-2.8 -2,-0.3 2,-0.4 -0.842 9.1-156.5-136.1 161.1 33.2 -60.2 2.2 34 35 X I E -AB 49 78A 3 15,-2.2 15,-3.6 -2,-0.3 2,-0.5 -0.988 19.0-130.4-140.1 145.5 34.3 -60.2 5.8 35 36 X W E +AB 48 77A 10 42,-2.6 42,-0.6 -2,-0.4 2,-0.3 -0.860 40.1 166.1 -93.6 126.8 35.2 -57.5 8.4 36 37 X Y E -A 47 0A 13 11,-2.2 11,-3.1 -2,-0.5 3,-0.1 -0.928 38.7-110.8-138.5 162.0 38.5 -58.4 10.0 37 38 X N - 0 0 36 -2,-0.3 9,-0.2 9,-0.2 6,-0.1 -0.855 13.4-159.7 -94.8 110.4 41.1 -56.6 12.3 38 39 X P S S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.937 93.0 43.1 -50.9 -41.1 44.4 -55.9 10.5 39 40 X D S > S- 0 0 70 6,-0.4 3,-2.6 3,-0.3 6,-0.2 -0.907 76.1-156.9-113.6 108.4 45.8 -55.6 14.0 40 41 X P T 3 S+ 0 0 103 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.587 93.1 60.0 -59.2 -15.4 44.5 -58.3 16.4 41 42 X K T 3 S+ 0 0 112 1,-0.2 2,-0.6 2,-0.0 -2,-0.0 0.608 99.4 61.9 -84.3 -9.8 45.3 -56.0 19.4 42 43 X E X + 0 0 100 -3,-2.6 3,-1.5 3,-0.1 -3,-0.3 -0.764 63.7 175.2-126.6 74.1 42.9 -53.5 18.1 43 44 X R T 3 S+ 0 0 72 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.560 74.0 53.9 -68.3 -11.7 39.5 -55.1 18.0 44 45 X D T 3 S+ 0 0 5 1,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.408 87.6 84.6-107.5 -2.2 37.5 -52.0 16.9 45 46 X S < + 0 0 39 -3,-1.5 -6,-0.4 -6,-0.2 2,-0.3 -0.894 62.7 173.7-103.7 115.0 39.5 -51.2 13.8 46 47 X Y - 0 0 31 -2,-0.7 2,-0.3 -9,-0.2 -9,-0.2 -0.840 19.4-166.1-119.3 150.7 38.3 -53.3 10.9 47 48 X E E -A 36 0A 91 -11,-3.1 -11,-2.2 -2,-0.3 2,-0.5 -0.884 31.0-106.4-123.4 172.9 38.9 -53.5 7.2 48 49 X C E -A 35 0A 33 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.805 35.7-173.4 -97.7 128.1 36.9 -55.3 4.6 49 50 X G E -A 34 0A 2 -15,-3.6 -15,-2.2 -2,-0.5 2,-0.4 -0.953 24.6-120.1-120.2 139.8 38.4 -58.5 3.1 50 51 X E E -A 33 0A 42 -2,-0.4 12,-2.2 -17,-0.2 2,-0.6 -0.614 24.6-128.5 -75.0 131.5 37.2 -60.7 0.1 51 52 X I E +C 61 0B 19 -19,-3.0 -19,-0.4 -2,-0.4 10,-0.3 -0.690 32.0 175.7 -76.0 115.9 36.3 -64.3 1.1 52 53 X V E - 0 0 61 8,-2.7 2,-0.3 -2,-0.6 9,-0.2 0.624 58.7 -6.4-104.6 -14.5 38.3 -66.3 -1.5 53 54 X S E -C 60 0B 61 7,-1.6 7,-2.2 2,-0.0 2,-0.3 -0.982 58.6-158.8-162.8 171.2 37.6 -69.9 -0.3 54 55 X E E -C 59 0B 91 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.992 6.2-159.6-154.6 159.6 36.0 -71.9 2.4 55 56 X T - 0 0 65 3,-1.8 3,-0.5 -2,-0.3 -2,-0.0 -0.628 56.0 -77.9-120.2-173.2 36.0 -75.3 4.1 56 57 X S S S+ 0 0 114 1,-0.2 3,-0.0 -2,-0.2 17,-0.0 0.841 130.4 17.4 -61.2 -28.4 33.2 -76.8 6.3 57 58 X D S S+ 0 0 75 16,-0.1 16,-2.5 15,-0.0 17,-0.4 0.361 119.2 56.3-126.8 12.3 34.3 -74.6 9.2 58 59 X S E - D 0 72B 3 -3,-0.5 -3,-1.8 14,-0.3 2,-0.4 -0.926 52.6-148.1-144.8 161.1 36.5 -71.8 7.9 59 60 X F E -CD 54 71B 5 12,-2.2 12,-2.1 -2,-0.3 2,-0.5 -0.986 9.3-156.6-128.3 139.5 36.9 -68.9 5.5 60 61 X T E +CD 53 70B 26 -7,-2.2 -8,-2.7 -2,-0.4 -7,-1.6 -0.978 23.8 171.9-111.1 132.6 40.0 -67.7 3.8 61 62 X F E -CD 51 69B 7 8,-3.0 8,-2.5 -2,-0.5 -10,-0.2 -0.918 31.3-108.4-137.8 160.8 39.9 -64.1 2.8 62 63 X K E - D 0 68B 77 -12,-2.2 6,-0.2 -2,-0.3 2,-0.2 -0.564 27.6-136.3 -85.9 153.1 42.4 -61.5 1.4 63 64 X T > - 0 0 8 4,-2.8 3,-1.3 -2,-0.2 -13,-0.1 -0.552 29.2-102.7-101.9 172.4 43.7 -58.6 3.5 64 65 X V T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.884 124.2 50.4 -68.8 -40.7 44.1 -55.0 2.2 65 66 X D T 3 S- 0 0 105 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.409 126.1-107.1 -72.2 2.4 47.8 -55.2 1.6 66 67 X G S < S+ 0 0 39 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.023 76.9 130.2 98.7 -30.6 46.9 -58.4 -0.3 67 68 X Q - 0 0 87 -5,-0.2 -4,-2.8 1,-0.1 2,-0.4 0.139 53.9-120.4 -48.2 172.3 48.1 -61.2 2.2 68 69 X D E +D 62 0B 91 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.979 29.3 179.2-126.6 140.2 45.6 -64.1 3.0 69 70 X R E -D 61 0B 80 -8,-2.5 -8,-3.0 -2,-0.4 2,-0.3 -0.917 16.1-141.1-133.9 166.6 44.2 -65.2 6.3 70 71 X Q E -D 60 0B 123 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.878 15.9-177.6-129.3 150.7 41.8 -67.8 7.6 71 72 X V E -D 59 0B 34 -12,-2.1 -12,-2.2 -2,-0.3 2,-0.2 -0.990 34.2-103.2-150.6 144.7 39.1 -67.6 10.3 72 73 X K E > -D 58 0B 100 -2,-0.3 3,-1.3 -14,-0.2 4,-0.4 -0.518 29.4-127.5 -71.9 144.6 36.7 -70.1 11.8 73 74 X K G > S+ 0 0 59 -16,-2.5 3,-1.7 1,-0.3 -1,-0.1 0.912 111.3 60.7 -60.4 -39.9 33.1 -69.5 10.6 74 75 X D G 3 S+ 0 0 160 -17,-0.4 -1,-0.3 1,-0.3 -16,-0.1 0.755 111.4 38.8 -56.4 -28.7 32.1 -69.4 14.2 75 76 X D G < S+ 0 0 110 -3,-1.3 2,-0.3 2,-0.0 -1,-0.3 0.344 92.3 117.7 -98.9 4.8 34.4 -66.4 14.8 76 77 X A < - 0 0 20 -3,-1.7 2,-0.9 -4,-0.4 -40,-0.1 -0.561 52.4-155.0 -83.9 132.0 33.7 -64.7 11.5 77 78 X N E -B 35 0A 50 -42,-0.6 -42,-2.6 -2,-0.3 20,-0.1 -0.785 26.0-155.2 -95.9 87.1 32.1 -61.2 11.3 78 79 X Q E -B 34 0A 35 -2,-0.9 2,-0.4 -44,-0.2 -44,-0.3 -0.296 12.6-122.3 -63.3 142.6 30.6 -61.4 7.7 79 80 X R - 0 0 50 -46,-2.8 -46,-0.4 -30,-0.2 -1,-0.1 -0.738 29.8-115.0 -81.4 134.8 29.9 -58.2 5.8 80 81 X N - 0 0 7 -2,-0.4 5,-0.1 15,-0.2 -1,-0.1 -0.367 40.0 -88.9 -64.7 149.4 26.3 -57.7 4.7 81 82 X P > - 0 0 62 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.292 45.8-115.9 -52.3 145.2 25.5 -57.7 1.1 82 83 X I G > S+ 0 0 41 1,-0.3 3,-1.8 -56,-0.2 -55,-0.1 0.654 108.2 79.5 -74.5 -11.5 26.0 -54.1 0.1 83 84 X K G 3 S+ 0 0 154 -56,-0.3 -1,-0.3 1,-0.3 -56,-0.0 0.739 91.1 58.1 -59.0 -20.0 22.3 -53.6 -0.8 84 85 X F G X S+ 0 0 30 -3,-2.5 3,-2.2 2,-0.1 2,-0.4 0.552 76.8 114.5 -82.9 -10.5 21.9 -53.3 3.1 85 86 X D T < S+ 0 0 40 -3,-1.8 19,-0.1 1,-0.3 20,-0.0 -0.497 85.1 16.1 -72.1 121.4 24.3 -50.4 3.3 86 87 X G T 3 S+ 0 0 5 -2,-0.4 -1,-0.3 1,-0.3 -70,-0.2 0.416 88.0 165.8 95.6 1.5 22.2 -47.3 4.5 87 88 X V < - 0 0 23 -3,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.251 36.0-139.3 -56.7 142.4 19.4 -49.5 5.6 88 89 X E S S+ 0 0 50 1,-0.2 29,-2.8 28,-0.1 2,-0.5 0.748 89.0 35.9 -75.5 -29.4 16.9 -47.6 7.8 89 90 X D B > -e 117 0C 26 27,-0.2 3,-1.7 29,-0.1 29,-0.2 -0.979 69.1-156.6-129.3 115.4 16.1 -50.3 10.3 90 91 X M G > S+ 0 0 0 27,-2.6 3,-1.9 -2,-0.5 28,-0.2 0.639 83.6 81.5 -69.7 -12.5 19.1 -52.5 11.3 91 92 X S G 3 S+ 0 0 26 1,-0.3 -1,-0.3 26,-0.2 27,-0.1 0.730 85.4 65.7 -64.6 -11.5 16.9 -55.4 12.4 92 93 X E G < S+ 0 0 114 -3,-1.7 -1,-0.3 -8,-0.1 -2,-0.2 0.596 74.0 115.3 -82.3 -9.1 16.8 -56.1 8.6 93 94 X L < - 0 0 2 -3,-1.9 3,-0.1 1,-0.2 8,-0.0 -0.337 60.5-147.0 -61.7 143.9 20.5 -56.9 8.4 94 95 X S S S+ 0 0 63 1,-0.2 2,-0.6 -13,-0.1 -1,-0.2 0.928 92.2 42.3 -73.7 -43.5 21.3 -60.6 7.4 95 96 X Y S S- 0 0 72 -14,-0.1 2,-0.8 2,-0.0 -1,-0.2 -0.914 73.3-165.6-108.1 123.5 24.4 -60.5 9.5 96 97 X L + 0 0 21 -2,-0.6 2,-0.3 -3,-0.1 -18,-0.1 -0.889 36.3 126.0-110.0 104.4 24.1 -58.8 12.9 97 98 X N > - 0 0 14 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.941 68.1 -95.5-151.7 169.8 27.6 -58.1 14.3 98 99 X E H > S+ 0 0 55 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.941 119.3 42.5 -62.6 -53.4 29.6 -55.2 15.6 99 100 X P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.891 115.3 51.4 -66.3 -30.8 31.5 -54.1 12.6 100 101 X A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.935 111.9 46.5 -66.5 -42.4 28.3 -54.5 10.3 101 102 X V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.968 115.4 46.4 -64.5 -47.7 26.2 -52.4 12.7 102 103 X F H X S+ 0 0 4 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.920 109.7 54.1 -57.6 -40.7 28.8 -49.8 12.9 103 104 X H H X S+ 0 0 15 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.924 107.0 51.5 -64.0 -39.4 29.3 -49.9 9.1 104 105 X N H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.930 111.6 45.6 -63.8 -40.8 25.6 -49.3 8.5 105 106 X L H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.872 111.2 55.9 -68.5 -30.9 25.6 -46.2 10.9 106 107 X R H X S+ 0 0 64 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.934 106.2 49.4 -62.3 -48.5 28.8 -45.1 9.1 107 108 X V H X S+ 0 0 28 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.923 114.7 43.7 -58.7 -46.0 27.2 -45.1 5.7 108 109 X R H ><>S+ 0 0 4 -4,-2.0 5,-2.8 -5,-0.2 3,-1.7 0.962 113.6 50.9 -66.1 -42.7 24.2 -43.2 6.9 109 110 X Y H ><5S+ 0 0 6 -4,-2.7 3,-2.8 1,-0.3 -2,-0.2 0.874 100.2 62.6 -62.0 -42.2 26.4 -40.7 8.9 110 111 X N H 3<5S+ 0 0 118 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.653 109.9 42.6 -53.5 -25.5 28.7 -40.0 5.9 111 112 X Q T <<5S- 0 0 75 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.076 124.4-104.8-107.6 17.7 25.5 -38.6 4.1 112 113 X D T < 5S+ 0 0 55 -3,-2.8 2,-1.0 1,-0.2 -3,-0.2 0.737 74.7 141.7 67.5 27.9 24.3 -36.8 7.2 113 114 X L < + 0 0 6 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.1 -0.862 18.8 169.2 -98.7 96.7 21.6 -39.3 8.0 114 115 X I + 0 0 5 -2,-1.0 11,-2.1 -3,-0.1 2,-0.4 0.621 51.3 77.1 -88.3 -14.8 22.1 -39.2 11.8 115 116 X Y E + F 0 124C 4 37,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.838 52.3 159.7-103.9 134.0 18.9 -41.2 12.6 116 117 X T E - 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