==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 14-APR-10 3MKD . COMPND 2 MOLECULE: MYOSIN-2 HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR D.KATHMANN,R.P.DIENSTHUBER,R.FEDOROV,D.J.MANSTEIN,G.TSIAVALI . 692 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 10.5 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 50 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 3 2 3 2 4 1 2 0 1 1 1 3 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 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 . 2 4 1 4 1 1 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 . 3 1 1 1 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 A N >> 0 0 117 0, 0.0 4,-1.6 0, 0.0 3,-1.2 0.000 360.0 360.0 360.0 107.2 85.2 37.2 2.0 2 3 A P T 34 + 0 0 56 0, 0.0 9,-0.3 0, 0.0 6,-0.3 0.793 360.0 69.7 -49.8 -38.3 81.6 38.1 0.8 3 4 A I T 34 S+ 0 0 14 1,-0.2 5,-0.0 7,-0.1 138,-0.0 0.890 114.1 24.9 -50.7 -44.4 81.2 34.5 -0.4 4 5 A H T <4 S+ 0 0 138 -3,-1.2 2,-1.1 3,-0.0 -1,-0.2 0.630 95.1 99.0 -99.5 -17.1 81.1 33.3 3.2 5 6 A D >< - 0 0 73 -4,-1.6 3,-2.2 1,-0.2 6,-0.4 -0.621 59.4-159.5 -74.5 103.2 79.9 36.4 5.0 6 7 A R T 3 S+ 0 0 151 -2,-1.1 -1,-0.2 1,-0.3 9,-0.1 0.692 87.4 63.2 -56.9 -19.4 76.1 35.6 5.3 7 8 A T T 3 S+ 0 0 110 4,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.357 82.6 109.2 -89.8 7.8 75.5 39.3 5.8 8 9 A S S <> S- 0 0 13 -3,-2.2 4,-2.7 -6,-0.3 5,-0.1 -0.304 80.5-117.1 -81.7 163.9 76.8 40.4 2.4 9 10 A D H > S+ 0 0 90 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.819 118.3 58.2 -66.5 -31.2 74.8 41.7 -0.6 10 11 A Y H >>S+ 0 0 2 2,-0.2 4,-3.7 1,-0.2 5,-0.7 0.980 111.4 37.8 -60.6 -58.8 76.0 38.5 -2.4 11 12 A H H >5S+ 0 0 35 -6,-0.4 4,-0.8 -9,-0.3 -2,-0.2 0.881 118.6 52.6 -60.3 -38.2 74.5 36.3 0.2 12 13 A K H <5S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.936 126.3 19.5 -63.6 -48.1 71.5 38.6 0.4 13 14 A Y H <5S+ 0 0 85 -4,-3.7 -2,-0.2 119,-0.1 -3,-0.2 0.609 132.1 35.7-102.6 -14.3 70.8 38.7 -3.4 14 15 A L H <5S+ 0 0 9 -4,-3.7 2,-0.3 -5,-0.3 -3,-0.2 0.530 104.5 69.5-116.4 -10.4 72.5 35.5 -4.9 15 16 A K S <> - 0 0 93 -2,-0.1 4,-2.5 1,-0.0 3,-0.9 -0.545 29.6 -87.1-110.0 176.4 63.8 28.1 10.0 21 22 A S H 3> S+ 0 0 87 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.828 128.5 48.4 -44.9 -45.1 63.1 25.6 12.8 22 23 A D H 3> S+ 0 0 93 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.816 111.9 49.5 -69.1 -32.5 59.7 24.8 11.3 23 24 A L H <> S+ 0 0 72 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.803 109.9 51.7 -75.8 -30.2 61.3 24.4 7.9 24 25 A F H X S+ 0 0 135 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.910 105.5 54.7 -70.0 -42.7 63.9 22.1 9.4 25 26 A K H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 112.3 44.5 -59.6 -31.3 61.2 20.0 11.0 26 27 A L H >< S+ 0 0 112 -4,-1.0 3,-0.8 1,-0.2 -1,-0.2 0.793 109.3 56.5 -81.7 -31.4 59.7 19.6 7.5 27 28 A T H 3< S+ 0 0 56 -4,-1.6 56,-0.2 1,-0.2 -2,-0.2 0.737 106.9 48.3 -72.7 -25.4 63.1 18.9 6.0 28 29 A V T 3< S+ 0 0 79 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.330 87.0 126.5 -97.7 7.0 63.8 16.0 8.3 29 30 A S < - 0 0 53 -3,-0.8 -3,-0.1 -5,-0.1 -4,-0.0 -0.074 56.0-145.8 -61.5 162.6 60.4 14.3 7.7 30 31 A D + 0 0 158 2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.505 64.3 110.2-107.2 -11.2 60.0 10.7 6.6 31 32 A K - 0 0 116 1,-0.1 2,-0.4 19,-0.0 21,-0.1 -0.308 57.9-143.9 -66.3 149.7 56.9 11.3 4.5 32 33 A R - 0 0 93 19,-0.5 19,-3.3 49,-0.1 2,-0.3 -0.938 13.8-161.3-120.0 139.5 57.2 11.1 0.7 33 34 A Y E -A 50 0A 72 46,-0.4 46,-2.3 -2,-0.4 2,-0.3 -0.784 6.6-155.9-121.2 163.6 55.4 13.2 -1.9 34 35 A I E -AB 49 78A 3 15,-2.8 15,-2.9 44,-0.3 2,-0.6 -0.956 20.7-125.0-134.9 150.1 54.4 13.1 -5.5 35 36 A W E +AB 48 77A 13 42,-3.4 42,-0.6 -2,-0.3 2,-0.3 -0.877 42.6 172.0 -95.6 122.0 53.6 15.9 -8.1 36 37 A Y E -A 47 0A 10 11,-2.5 11,-2.1 -2,-0.6 3,-0.1 -0.846 37.1-112.7-131.0 168.0 50.3 15.2 -9.7 37 38 A N - 0 0 31 -2,-0.3 9,-0.2 9,-0.2 6,-0.1 -0.880 15.0-166.5-101.6 111.6 47.7 16.7 -12.0 38 39 A P S S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.833 91.6 37.8 -63.4 -29.3 44.4 17.6 -10.2 39 40 A D S S- 0 0 66 6,-0.4 6,-0.2 3,-0.4 0, 0.0 -0.992 73.7-157.2-122.2 126.5 43.0 18.0 -13.7 40 41 A P S S+ 0 0 96 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.515 94.1 63.4 -81.6 -6.2 44.3 15.5 -16.3 41 42 A K S S+ 0 0 145 1,-0.2 2,-1.2 2,-0.0 3,-0.1 0.909 100.7 49.9 -80.0 -48.9 43.3 18.1 -18.9 42 43 A E > + 0 0 98 1,-0.2 3,-1.1 3,-0.1 -3,-0.4 -0.711 67.5 174.4 -93.3 87.3 45.8 20.7 -17.7 43 44 A R T 3 S+ 0 0 140 -2,-1.2 -1,-0.2 -3,-0.2 -2,-0.0 0.490 72.5 60.2 -72.9 -2.7 49.0 18.6 -17.5 44 45 A D T 3 S+ 0 0 7 1,-0.1 2,-0.7 -3,-0.1 -1,-0.2 0.561 87.3 79.2-101.3 -9.2 51.1 21.7 -16.7 45 46 A S < - 0 0 42 -3,-1.1 -6,-0.4 -6,-0.2 2,-0.3 -0.891 66.0-178.1-102.9 117.4 49.4 22.6 -13.4 46 47 A Y - 0 0 31 -2,-0.7 2,-0.3 -9,-0.2 -9,-0.2 -0.802 18.2-167.6-117.9 157.5 50.5 20.4 -10.5 47 48 A E E -A 36 0A 86 -11,-2.1 -11,-2.5 -2,-0.3 2,-0.5 -0.840 30.7-109.0-131.8 164.9 49.7 20.0 -6.9 48 49 A C E -A 35 0A 37 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.871 33.2-175.0-104.5 130.3 51.6 18.0 -4.3 49 50 A G E -A 34 0A 1 -15,-2.9 -15,-2.8 -2,-0.5 2,-0.4 -0.918 23.9-119.8-123.0 151.4 50.2 14.8 -2.9 50 51 A E E -AC 33 62A 63 12,-0.8 12,-2.1 -2,-0.3 2,-0.6 -0.758 21.9-127.3 -93.4 133.7 51.5 12.6 -0.1 51 52 A I E + C 0 61A 15 -19,-3.3 -19,-0.5 -2,-0.4 10,-0.3 -0.677 31.6 173.8 -77.1 118.5 52.3 9.0 -0.9 52 53 A V E - 0 0 63 8,-2.6 2,-0.3 -2,-0.6 9,-0.2 0.664 60.5 -2.9-101.4 -20.0 50.4 6.9 1.6 53 54 A S E - C 0 60A 58 7,-1.6 7,-2.0 2,-0.0 2,-0.3 -0.966 58.9-152.3-160.0 173.0 51.1 3.4 0.4 54 55 A E E - C 0 59A 100 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.968 5.1-163.4-160.3 140.4 52.7 1.4 -2.4 55 56 A T - 0 0 63 3,-1.1 5,-0.0 -2,-0.3 -2,-0.0 -0.357 55.7 -80.2-104.4-170.5 52.5 -1.9 -4.3 56 57 A S S S+ 0 0 114 1,-0.2 3,-0.0 -2,-0.1 0, 0.0 0.822 128.5 14.9 -66.4 -28.9 55.3 -3.4 -6.4 57 58 A D S S+ 0 0 68 16,-0.1 16,-3.4 15,-0.0 17,-0.4 0.333 119.8 64.8-127.4 6.7 54.5 -1.1 -9.4 58 59 A S E - D 0 72A 10 14,-0.3 -3,-1.1 15,-0.1 2,-0.4 -0.839 53.4-149.6-133.8 168.9 52.2 1.6 -8.0 59 60 A F E -CD 54 71A 5 12,-2.4 12,-2.7 -2,-0.3 2,-0.5 -0.993 8.2-158.0-134.8 136.9 51.8 4.5 -5.6 60 61 A T E +CD 53 70A 28 -7,-2.0 -8,-2.6 -2,-0.4 -7,-1.6 -0.988 24.7 171.5-117.7 121.2 48.7 5.6 -3.9 61 62 A F E -CD 51 69A 8 8,-2.5 8,-2.4 -2,-0.5 2,-0.4 -0.846 30.2-115.1-128.3 164.7 48.7 9.3 -2.8 62 63 A K E -CD 50 68A 105 -12,-2.1 -12,-0.8 -2,-0.3 2,-0.2 -0.828 25.1-135.9-103.8 139.0 46.3 11.8 -1.4 63 64 A T - 0 0 13 4,-0.7 4,-0.4 -2,-0.4 -14,-0.1 -0.604 32.8-100.7 -92.0 152.5 45.1 14.9 -3.2 64 65 A V S S+ 0 0 89 -2,-0.2 -1,-0.1 -16,-0.1 -15,-0.0 0.817 112.0 51.3 -35.5 -41.7 44.9 18.4 -1.7 65 66 A D S S- 0 0 133 1,-0.1 2,-1.1 0, 0.0 -2,-0.1 0.028 117.6 -66.7 -84.1-164.3 41.1 17.6 -1.5 66 67 A G S S+ 0 0 72 -4,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.768 96.3 79.6 -93.0 98.0 39.4 14.7 0.0 67 68 A Q - 0 0 134 -2,-1.1 -4,-0.7 -4,-0.4 2,-0.3 -0.969 60.4-131.1-178.1 178.4 40.3 11.8 -2.2 68 69 A D E -D 62 0A 58 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.957 17.7-168.7-154.9 132.2 43.1 9.2 -3.1 69 70 A R E -D 61 0A 92 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.3 -0.861 11.0-142.5-124.1 160.5 44.6 8.3 -6.4 70 71 A Q E +D 60 0A 124 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.921 18.3 179.8-122.6 143.1 46.9 5.5 -7.6 71 72 A V E -D 59 0A 31 -12,-2.7 -12,-2.4 -2,-0.3 5,-0.1 -0.996 34.5-103.4-145.1 147.0 49.6 5.8 -10.2 72 73 A K E > -D 58 0A 98 -2,-0.3 3,-1.6 -14,-0.2 -14,-0.3 -0.418 31.5-128.0 -64.9 142.9 52.2 3.4 -11.8 73 74 A K G > S+ 0 0 65 -16,-3.4 3,-1.1 1,-0.3 5,-0.2 0.848 111.3 54.8 -62.9 -32.7 55.6 4.0 -10.3 74 75 A D G 3 S+ 0 0 118 -17,-0.4 -1,-0.3 1,-0.2 -16,-0.1 0.459 111.3 45.4 -79.8 -1.0 57.0 4.3 -13.9 75 76 A D G < S+ 0 0 111 -3,-1.6 2,-0.4 2,-0.0 -1,-0.2 0.169 91.5 111.1-123.1 13.1 54.5 7.1 -14.5 76 77 A A < - 0 0 20 -3,-1.1 2,-1.2 -5,-0.1 -40,-0.1 -0.770 56.9-151.0 -98.2 133.5 55.0 9.0 -11.3 77 78 A N E -B 35 0A 50 -42,-0.6 -42,-3.4 -2,-0.4 -3,-0.1 -0.710 27.8-160.6 -97.7 82.2 56.5 12.4 -10.9 78 79 A Q E -B 34 0A 32 -2,-1.2 2,-0.5 -44,-0.3 -44,-0.3 -0.262 15.8-118.2 -63.5 150.2 58.0 12.0 -7.5 79 80 A R - 0 0 51 -46,-2.3 -46,-0.4 1,-0.1 3,-0.1 -0.780 27.8-118.4 -93.5 129.4 58.8 15.1 -5.5 80 81 A N - 0 0 9 -2,-0.5 5,-0.1 15,-0.2 -1,-0.1 -0.241 43.5 -84.2 -62.2 150.8 62.5 15.6 -4.5 81 82 A P > - 0 0 53 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.339 45.7-116.8 -53.7 138.5 63.3 15.7 -0.8 82 83 A I G > S+ 0 0 42 1,-0.3 3,-1.6 -56,-0.2 -55,-0.1 0.683 108.7 80.2 -56.9 -18.7 62.7 19.4 0.1 83 84 A K G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -56,-0.2 -56,-0.0 0.708 90.3 57.2 -59.6 -16.2 66.4 19.8 1.0 84 85 A F G X S+ 0 0 30 -3,-2.4 3,-2.9 2,-0.1 2,-0.3 0.639 74.4 115.8 -88.5 -18.5 66.8 20.2 -2.8 85 86 A D T < S+ 0 0 43 -3,-1.6 19,-0.1 1,-0.3 20,-0.0 -0.378 88.0 15.0 -57.3 113.5 64.4 23.1 -3.1 86 87 A G T 3 S+ 0 0 5 -2,-0.3 -1,-0.3 1,-0.2 -70,-0.1 0.438 85.2 164.7 100.6 1.6 66.6 25.9 -4.3 87 88 A V < - 0 0 23 -3,-2.9 -1,-0.2 1,-0.1 3,-0.1 -0.172 37.7-137.4 -51.4 143.5 69.5 23.8 -5.3 88 89 A E S S+ 0 0 47 1,-0.2 29,-2.7 28,-0.1 2,-0.4 0.700 90.6 40.0 -81.2 -19.4 71.9 25.8 -7.5 89 90 A D B > -e 117 0B 21 27,-0.2 3,-1.4 29,-0.1 -1,-0.2 -0.977 67.3-158.9-132.8 117.6 72.5 23.0 -10.0 90 91 A M G > S+ 0 0 0 27,-2.2 3,-1.1 -2,-0.4 28,-0.1 0.457 85.1 78.7 -76.3 -2.0 69.6 20.8 -11.0 91 92 A S G 3 S+ 0 0 27 1,-0.2 -1,-0.3 26,-0.1 27,-0.1 0.625 87.6 65.4 -77.2 -12.2 71.8 17.9 -12.2 92 93 A E G < S+ 0 0 118 -3,-1.4 -1,-0.2 -8,-0.1 2,-0.2 0.432 76.4 113.7 -88.2 -1.0 71.9 17.3 -8.5 93 94 A L < - 0 0 3 -3,-1.1 3,-0.1 1,-0.1 8,-0.0 -0.488 61.1-145.6 -74.9 140.8 68.2 16.4 -8.1 94 95 A S S S+ 0 0 60 1,-0.2 2,-0.6 -2,-0.2 -1,-0.1 0.987 92.5 38.9 -65.7 -58.5 67.3 12.9 -7.2 95 96 A Y S S- 0 0 75 -14,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.841 72.8-165.0 -97.3 121.5 64.1 12.9 -9.3 96 97 A L + 0 0 18 -2,-0.6 2,-0.3 -3,-0.1 -18,-0.0 -0.814 36.3 127.4-110.6 90.1 64.5 14.6 -12.6 97 98 A N > - 0 0 18 -2,-0.8 4,-2.6 -19,-0.1 5,-0.2 -0.832 68.8 -94.9-134.2 171.2 61.0 15.2 -14.0 98 99 A E H > S+ 0 0 60 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.951 121.3 42.3 -56.9 -59.0 59.1 18.3 -15.3 99 100 A P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.880 114.8 55.2 -57.9 -33.8 57.2 19.4 -12.2 100 101 A A H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.951 110.6 42.2 -62.1 -51.6 60.4 18.8 -10.2 101 102 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.880 116.6 48.4 -65.4 -38.0 62.6 21.0 -12.4 102 103 A F H X S+ 0 0 9 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.930 108.1 55.0 -67.2 -45.2 59.9 23.7 -12.6 103 104 A H H X S+ 0 0 22 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.904 108.4 47.8 -53.7 -46.8 59.4 23.6 -8.8 104 105 A N H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.905 113.4 47.9 -63.2 -41.7 63.1 24.2 -8.1 105 106 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.892 112.4 50.1 -65.7 -39.0 63.1 27.1 -10.6 106 107 A R H X S+ 0 0 76 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.904 107.9 53.1 -64.9 -42.6 59.9 28.5 -9.0 107 108 A V H < S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 114.5 40.7 -59.5 -45.3 61.4 28.3 -5.5 108 109 A R H ><>S+ 0 0 4 -4,-1.9 5,-2.7 1,-0.2 3,-1.6 0.895 112.9 54.8 -70.4 -41.4 64.5 30.3 -6.5 109 110 A Y H ><5S+ 0 0 8 -4,-2.4 3,-2.6 1,-0.3 -2,-0.2 0.894 99.3 60.8 -59.3 -43.0 62.5 32.7 -8.6 110 111 A N T 3<5S+ 0 0 114 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.565 108.1 46.5 -62.8 -8.2 60.2 33.5 -5.7 111 112 A Q T < 5S- 0 0 54 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.070 124.2-103.9-117.4 16.3 63.4 34.7 -3.9 112 113 A D T < 5S+ 0 0 62 -3,-2.6 2,-0.9 1,-0.2 -3,-0.2 0.792 76.4 141.2 63.6 28.7 64.6 36.7 -6.9 113 114 A L < + 0 0 9 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.2 -0.882 18.1 167.3 -99.4 98.6 67.2 34.1 -7.8 114 115 A I + 0 0 5 -2,-0.9 11,-2.0 -3,-0.1 2,-0.4 0.636 50.3 76.8 -92.5 -14.3 66.9 34.2 -11.5 115 116 A Y E + F 0 124B 5 37,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.836 51.2 160.2-102.6 133.8 70.0 32.1 -12.3 116 117 A T E - 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0 0 25 529,-2.6 57,-0.1 -2,-0.7 56,-0.0 -0.223 22.8-163.1 -50.2 119.8 63.4 37.0 -16.6 127 128 A P - 0 0 22 0, 0.0 537,-0.5 0, 0.0 -1,-0.2 0.841 16.4-147.6 -75.5 -33.6 62.7 38.9 -13.3 128 129 A F S S+ 0 0 43 1,-0.3 2,-0.3 535,-0.1 -2,-0.1 0.884 73.1 63.7 63.9 39.7 60.9 41.8 -15.0 129 130 A K S S- 0 0 100 533,-0.1 -1,-0.3 534,-0.1 2,-0.2 -0.915 96.3 -79.3-174.8 166.8 62.2 44.1 -12.3 130 131 A R - 0 0 241 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.578 37.4-173.2 -84.8 142.8 65.6 45.4 -11.1 131 132 A I - 0 0 17 -2,-0.2 2,-2.1 0, 0.0 3,-0.3 -0.997 28.9-125.7-136.3 127.6 67.8 43.2 -8.9 132 133 A P S S+ 0 0 64 0, 0.0 -119,-0.1 0, 0.0 -2,-0.0 -0.466 76.9 105.4 -74.4 75.8 71.1 44.6 -7.4 133 134 A I + 0 0 2 -2,-2.1 -3,-0.0 -120,-0.0 -123,-0.0 0.294 60.3 66.8-137.2 7.5 73.4 41.9 -8.7 134 135 A Y + 0 0 51 -3,-0.3 2,-0.1 4,-0.1 -1,-0.0 0.035 69.5 130.2-119.9 26.1 75.4 43.4 -11.6 135 136 A T S > S- 0 0 54 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.351 74.3-107.8 -76.5 160.3 77.4 46.0 -9.5 136 137 A Q H > S+ 0 0 85 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.795 122.5 57.1 -58.0 -29.8 81.2 46.3 -9.8 137 138 A E H > S+ 0 0 120 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.909 106.2 48.3 -68.3 -41.8 81.4 44.7 -6.4 138 139 A M H > S+ 0 0 5 -3,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.884 109.3 54.1 -64.4 -39.3 79.5 41.6 -7.7 139 140 A V H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.910 106.6 51.5 -59.8 -44.9 81.8 41.5 -10.7 140 141 A D H < S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.812 104.9 57.0 -64.3 -31.9 84.9 41.5 -8.4 141 142 A I H < S+ 0 0 22 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.932 110.9 41.7 -64.2 -47.5 83.4 38.6 -6.5 142 143 A F H >< S+ 0 0 1 -4,-1.7 3,-2.2 2,-0.1 -1,-0.2 0.681 83.7 122.9 -74.1 -20.2 83.1 36.3 -9.5 143 144 A K T 3< S- 0 0 89 -4,-1.3 13,-0.1 1,-0.3 -3,-0.0 -0.227 93.8 -13.6 -46.1 116.9 86.5 37.4 -10.9 144 145 A G T 3 S+ 0 0 42 1,-0.2 -1,-0.3 12,-0.1 2,-0.2 0.431 97.0 139.8 71.7 2.1 88.4 34.2 -11.3 145 146 A R < - 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0 0 80 -6,-0.6 2,-0.2 -5,-0.1 -1,-0.2 -0.792 65.9 -99.1-116.8 158.1 90.8 28.2 -28.1 171 172 A N - 0 0 36 475,-0.4 477,-2.8 -2,-0.3 2,-0.3 -0.557 38.9-151.5 -82.0 145.6 88.0 30.7 -29.2 172 173 A Q E -hi 449 648B 0 276,-2.1 278,-3.6 475,-0.3 2,-0.3 -0.746 10.2-162.8-116.2 163.0 84.8 30.8 -27.1 173 174 A S E -hi 450 649B 0 475,-2.1 477,-2.8 276,-0.3 2,-0.6 -0.994 10.6-153.4-147.6 137.3 81.2 31.6 -27.7 174 175 A L E -hi 451 650B 0 276,-2.8 278,-1.6 -2,-0.3 2,-0.8 -0.932 15.7-164.6-112.4 106.0 78.2 32.5 -25.4 175 176 A L E -hi 452 651B 0 475,-2.1 477,-2.6 -2,-0.6 2,-0.8 -0.822 2.6-169.0 -98.0 107.4 75.0 31.5 -27.0 176 177 A I E - i 0 652B 1 276,-1.1 278,-0.4 -2,-0.8 477,-0.2 -0.843 11.6-177.4-102.1 104.3 72.0 33.1 -25.3 177 178 A T E + i 0 653B 7 475,-1.9 477,-2.4 -2,-0.8 2,-0.2 -0.371 18.6 120.7 -92.8 172.4 68.7 31.6 -26.5 178 179 A G - 0 0 4 475,-0.2 279,-0.5 -2,-0.1 477,-0.1 -0.549 55.6 -91.1 144.2 150.2 65.1 32.5 -25.6 179 180 A E S > S- 0 0 41 475,-0.4 3,-1.7 277,-0.2 5,-0.3 -0.120 73.0 -51.5 -74.8-177.7 61.9 33.6 -27.2 180 181 A S T 3 S+ 0 0 4 277,-2.4 -1,-0.2 1,-0.2 279,-0.1 -0.369 126.8 9.5 -62.7 123.4 61.0 37.3 -27.5 181 182 A G T 3 S+ 0 0 7 -2,-0.2 -1,-0.2 -3,-0.1 474,-0.1 0.353 88.3 120.9 91.5 -5.0 61.3 39.2 -24.2 182 183 A A S < S- 0 0 1 -3,-1.7 -56,-0.4 472,-0.1 473,-0.3 0.723 88.9 -96.1 -63.8 -26.3 63.0 36.4 -22.3 183 184 A G S > S+ 0 0 12 -4,-0.3 4,-2.1 471,-0.2 5,-0.2 0.599 77.5 135.8 120.8 14.5 66.1 38.5 -21.5 184 185 A K H > S+ 0 0 12 -5,-0.3 4,-2.1 1,-0.2 5,-0.1 0.899 77.6 47.9 -57.2 -46.8 68.7 37.7 -24.2 185 186 A T H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 110.1 50.3 -65.2 -40.4 69.7 41.3 -24.7 186 187 A E H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 113.9 45.0 -64.8 -47.5 70.1 42.2 -21.0 187 188 A N H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.866 109.1 56.6 -64.7 -35.2 72.3 39.2 -20.3 188 189 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.967 106.0 51.0 -58.9 -50.1 74.2 40.0 -23.5 189 190 A K H X S+ 0 0 58 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.871 109.8 51.4 -54.0 -39.1 74.9 43.4 -22.0 190 191 A K H X S+ 0 0 24 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.934 105.7 52.4 -66.7 -46.0 76.1 41.7 -18.8 191 192 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.887 112.2 47.6 -57.2 -38.0 78.5 39.4 -20.5 192 193 A I H X S+ 0 0 15 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.962 111.8 49.4 -67.7 -50.1 80.0 42.4 -22.2 193 194 A Q H X S+ 0 0 54 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.921 112.4 47.5 -52.8 -51.0 80.3 44.4 -19.0 194 195 A Y H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 3,-0.4 0.944 113.9 44.9 -59.3 -52.6 81.9 41.6 -17.1 195 196 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.889 109.8 56.8 -59.2 -40.3 84.6 40.8 -19.8 196 197 A A H X S+ 0 0 9 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.848 114.5 40.5 -59.1 -35.3 85.3 44.5 -20.2 197 198 A S H >< S+ 0 0 35 -4,-1.5 3,-1.1 -3,-0.4 -2,-0.2 0.982 117.4 40.3 -77.9 -69.5 86.1 44.6 -16.5 198 199 A V H 3< S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.675 130.4 31.2 -57.9 -17.3 88.0 41.5 -15.7 199 200 A A H 3< S+ 0 0 2 -4,-1.7 53,-2.0 -5,-0.3 -1,-0.2 0.390 97.0 100.2-123.4 4.0 90.0 41.7 -18.9 200 201 A G S << S- 0 0 19 -3,-1.1 2,-0.5 -4,-0.6 -3,-0.1 -0.220 73.0-107.6 -82.4 174.9 90.2 45.5 -19.6 201 202 A R - 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0 0 2 -3,-1.3 37,-0.5 -44,-0.1 -1,-0.3 -0.805 57.6-139.0-122.7 169.3 53.6 48.9 -31.3 275 276 A R - 0 0 0 -47,-2.1 -4,-0.1 -2,-0.3 2,-0.1 -0.762 15.6-117.3-121.4 169.4 56.1 51.7 -31.9 276 277 A N S S- 0 0 0 1,-0.3 -48,-0.6 -2,-0.2 -9,-0.1 -0.277 72.1 -45.6 -89.6-174.3 58.5 52.5 -34.7 277 278 A Y B >> -M 227 0C 0 -50,-0.2 3,-1.2 1,-0.1 4,-0.7 -0.217 56.8-117.4 -57.8 145.7 62.2 52.5 -33.7 278 279 A H H >> S+ 0 0 18 -52,-1.8 4,-1.7 -56,-0.3 3,-1.3 0.867 108.4 69.3 -49.4 -43.4 63.0 54.3 -30.5 279 280 A I H 3> S+ 0 0 0 -56,-2.6 4,-2.0 -53,-0.3 5,-0.3 0.838 90.9 58.4 -49.2 -41.0 65.2 56.8 -32.3 280 281 A F H <> S+ 0 0 0 -3,-1.2 4,-1.5 1,-0.2 -1,-0.3 0.889 112.4 41.8 -58.1 -36.6 62.2 58.5 -34.0 281 282 A Y H - 0 0 61 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.053 30.5 -97.2 -73.8-177.7 66.3 71.5 -29.1 289 290 A A H > S+ 0 0 79 2,-0.2 4,-0.7 3,-0.2 -1,-0.1 0.858 123.8 46.8 -72.9 -35.5 64.2 74.3 -30.5 290 291 A E H > S+ 0 0 146 2,-0.2 4,-3.5 3,-0.2 3,-0.5 0.951 115.4 44.7 -70.1 -49.8 66.7 75.2 -33.2 291 292 A E H > S+ 0 0 24 1,-0.3 4,-0.9 2,-0.2 6,-0.2 0.945 113.3 52.0 -57.0 -47.4 67.3 71.5 -34.3 292 293 A K H <>S+ 0 0 93 -4,-2.1 5,-1.5 1,-0.2 4,-0.3 0.737 115.7 43.4 -58.7 -27.4 63.5 71.0 -34.1 293 294 A K H ><5S+ 0 0 166 -4,-0.7 3,-0.6 -3,-0.5 -2,-0.2 0.869 110.5 49.1 -91.7 -42.9 63.2 74.0 -36.3 294 295 A A H 3<5S+ 0 0 74 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.506 117.1 47.9 -75.4 -2.4 66.0 73.4 -38.9 295 296 A L T 3<5S- 0 0 4 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.510 104.0-128.1-112.8 -11.6 64.5 69.9 -39.2 296 297 A H T < 5 + 0 0 97 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.782 52.5 162.5 67.0 27.6 60.8 70.9 -39.6 297 298 A L < + 0 0 18 -5,-1.5 2,-0.2 -6,-0.2 -1,-0.2 -0.234 13.3 163.2 -75.3 166.2 59.9 68.5 -36.8 298 299 A A - 0 0 42 -2,-0.0 -1,-0.1 0, 0.0 5,-0.0 -0.691 46.7 -42.2-154.5-164.4 56.7 68.5 -34.8 299 300 A G > - 0 0 24 -2,-0.2 3,-4.1 1,-0.1 4,-0.4 -0.578 52.7-106.5 -73.0 147.6 55.0 65.9 -32.5 300 301 A P G > S+ 0 0 23 0, 0.0 3,-1.9 0, 0.0 6,-0.3 0.812 119.3 61.2 -37.4 -43.6 54.7 62.1 -33.1 301 302 A E G 3 S+ 0 0 128 1,-0.3 6,-0.1 6,-0.1 5,-0.0 0.629 96.2 63.5 -62.9 -12.9 51.0 62.6 -33.9 302 303 A S G < S+ 0 0 61 -3,-4.1 2,-0.5 4,-0.1 -1,-0.3 0.571 92.2 75.1 -88.6 -9.4 52.0 64.7 -36.8 303 304 A F X> - 0 0 5 -3,-1.9 3,-2.4 -4,-0.4 4,-1.0 -0.909 67.1-148.3-114.7 126.7 53.9 61.9 -38.6 304 305 A N T 34 S+ 0 0 67 -2,-0.5 3,-0.2 1,-0.3 4,-0.2 0.786 102.8 56.0 -54.9 -32.8 52.3 59.1 -40.6 305 306 A Y T 34 S+ 0 0 9 46,-0.3 -1,-0.3 1,-0.2 -36,-0.1 0.449 118.5 33.9 -81.3 1.8 55.2 56.8 -39.6 306 307 A L T <4 S+ 0 0 0 -3,-2.4 -2,-0.2 -6,-0.3 -1,-0.2 0.401 110.6 56.2-135.5 0.3 54.5 57.5 -35.9 307 308 A N S < S+ 0 0 48 -4,-1.0 -3,-0.1 -3,-0.2 -2,-0.1 0.104 83.8 78.0-125.3 25.7 50.7 58.0 -35.5 308 309 A Q S S+ 0 0 126 -4,-0.2 -1,-0.1 3,-0.1 -36,-0.1 0.742 88.1 53.2-103.6 -28.9 49.1 54.8 -36.8 309 310 A S S S- 0 0 5 2,-0.2 -36,-1.4 -35,-0.1 -2,-0.1 0.822 100.3-127.5 -74.7 -32.4 49.7 52.3 -34.0 310 311 A G S S+ 0 0 74 1,-0.2 2,-0.5 -38,-0.2 -35,-0.1 0.483 78.9 100.8 95.1 6.3 48.2 54.6 -31.4 311 312 A C + 0 0 11 -37,-0.5 -2,-0.2 1,-0.1 -1,-0.2 -0.963 25.4 150.8-129.9 117.9 51.2 54.3 -29.2 312 313 A V + 0 0 43 -2,-0.5 2,-0.3 -37,-0.1 -1,-0.1 0.427 65.9 62.0-119.3 -4.9 53.9 57.0 -29.0 313 314 A D - 0 0 108 5,-0.0 2,-0.5 6,-0.0 5,-0.1 -0.903 61.4-151.5-127.1 152.0 54.9 56.3 -25.4 314 315 A I > - 0 0 10 3,-0.4 3,-2.0 -2,-0.3 5,-0.1 -0.990 36.6-106.9-123.5 122.8 56.4 53.4 -23.4 315 316 A K T 3 S+ 0 0 198 -2,-0.5 3,-0.1 1,-0.3 -82,-0.0 -0.215 102.3 9.0 -51.3 122.2 55.5 53.1 -19.7 316 317 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.607 105.4 107.9 83.4 11.1 58.5 54.0 -17.6 317 318 A V < - 0 0 64 -3,-2.0 2,-0.7 4,-0.0 -3,-0.4 -0.980 51.7-158.1-126.5 135.5 60.7 55.3 -20.4 318 319 A S > - 0 0 53 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.925 2.0-169.4-111.1 105.6 61.7 58.9 -21.2 319 320 A D H > S+ 0 0 19 -2,-0.7 4,-3.1 1,-0.2 -1,-0.2 0.877 90.7 56.2 -61.2 -37.1 62.7 59.2 -24.9 320 321 A S H > S+ 0 0 33 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.908 112.2 41.3 -58.9 -44.3 64.0 62.7 -24.2 321 322 A E H > S+ 0 0 101 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.835 114.0 54.2 -71.6 -34.6 66.2 61.2 -21.5 322 323 A E H X S+ 0 0 69 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.889 102.2 57.6 -65.9 -39.6 67.0 58.3 -23.8 323 324 A F H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.897 102.0 54.7 -59.0 -41.0 68.1 60.7 -26.5 324 325 A K H X S+ 0 0 116 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.893 109.4 48.3 -60.3 -39.8 70.7 62.3 -24.2 325 326 A I H X S+ 0 0 77 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.955 109.9 51.0 -64.3 -51.4 72.1 58.8 -23.6 326 327 A T H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.925 111.4 47.2 -51.4 -52.7 72.2 58.0 -27.3 327 328 A R H X S+ 0 0 54 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.843 111.5 51.4 -61.5 -33.8 74.0 61.2 -28.2 328 329 A Q H X S+ 0 0 124 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.814 107.9 52.4 -73.6 -28.9 76.5 60.6 -25.4 329 330 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -3,-0.2 -2,-0.2 0.888 109.5 49.8 -71.1 -38.6 77.1 57.1 -26.7 330 331 A M H X>S+ 0 0 1 -4,-2.1 5,-2.9 2,-0.2 4,-2.6 0.882 109.4 51.3 -66.5 -40.7 77.9 58.6 -30.1 331 332 A D H <5S+ 0 0 85 -4,-2.0 -2,-0.2 3,-0.2 3,-0.2 0.992 112.0 45.7 -58.2 -61.9 80.3 61.1 -28.7 332 333 A I H <5S+ 0 0 56 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.864 113.7 49.2 -50.0 -43.8 82.3 58.5 -26.8 333 334 A V H <5S- 0 0 2 -4,-2.2 -1,-0.3 -117,-0.2 -2,-0.2 0.906 124.5-103.4 -66.4 -39.6 82.3 56.2 -29.8 334 335 A G T <5 + 0 0 49 -4,-2.6 2,-0.7 1,-0.2 -3,-0.2 0.632 59.0 158.4 128.5 18.3 83.5 59.0 -32.0 335 336 A F < - 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