==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOTOR PROTEIN/INHIBITOR 22-APR-10 3MNQ . COMPND 2 MOLECULE: MYOSIN-2 HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR J.SCHNEIDER,M.TAFT,A.BACKHAUS,P.BARUCH,R.FEDOROV,D.J.MANSTEI . 735 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 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 . 6 0.8 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 . 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 . 54 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 3 3 1 1 1 0 3 1 1 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 . 2 4 2 2 3 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 . 2 2 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 1 A E 0 0 208 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.1 85.6 39.1 5.3 2 2 A D >> - 0 0 44 1,-0.2 3,-1.8 3,-0.1 4,-0.8 -0.289 360.0-141.4 -52.6 113.3 85.0 37.1 2.1 3 3 A P G >4 S+ 0 0 45 0, 0.0 3,-0.8 0, 0.0 6,-0.4 0.806 97.3 57.3 -45.5 -43.4 81.5 38.2 0.9 4 4 A I G 34 S+ 0 0 16 1,-0.2 -2,-0.1 7,-0.1 138,-0.0 0.752 112.4 41.3 -66.3 -22.6 80.5 34.7 -0.3 5 5 A H G <4 S+ 0 0 136 -3,-1.8 2,-0.8 1,-0.1 -1,-0.2 0.455 97.6 87.5-101.9 -3.7 81.1 33.3 3.2 6 6 A D X< - 0 0 52 -3,-0.8 3,-1.8 -4,-0.8 6,-0.4 -0.867 63.4-159.4-100.6 107.7 79.5 36.2 5.0 7 7 A R T 3 S+ 0 0 177 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.429 88.6 61.2 -65.4 1.6 75.8 35.7 5.3 8 8 A T T 3 S+ 0 0 107 -5,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.546 81.7 102.7-104.3 -11.9 75.3 39.4 5.8 9 9 A S S <> S- 0 0 19 -3,-1.8 4,-2.4 -6,-0.4 5,-0.1 -0.217 82.9-115.8 -70.6 162.1 76.7 40.6 2.4 10 10 A D H > S+ 0 0 95 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.843 117.2 63.6 -64.2 -32.3 74.5 41.7 -0.5 11 11 A Y H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.931 109.3 37.8 -56.8 -47.3 75.9 38.7 -2.3 12 12 A H H > S+ 0 0 33 -6,-0.4 4,-1.0 -9,-0.3 -2,-0.2 0.863 117.0 52.3 -72.1 -37.4 74.3 36.4 0.2 13 13 A K H < S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.881 124.2 24.8 -67.0 -39.8 71.2 38.5 0.5 14 14 A Y H < S+ 0 0 86 -4,-3.4 -2,-0.2 -5,-0.1 -1,-0.2 0.515 129.8 34.2-107.9 -4.4 70.6 38.6 -3.3 15 15 A L H < S+ 0 0 6 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.523 103.2 66.0-126.5 -9.1 72.2 35.5 -4.7 16 16 A K S < S- 0 0 55 -4,-1.0 2,-0.2 -5,-0.3 -1,-0.0 -0.816 86.3 -95.0-117.6 156.7 71.9 32.7 -2.2 17 17 A V - 0 0 56 -2,-0.3 3,-0.1 70,-0.1 -2,-0.1 -0.452 48.2-108.6 -69.0 137.3 68.9 30.8 -0.7 18 18 A K - 0 0 167 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.334 38.9 -95.2 -66.6 146.3 67.6 32.2 2.5 19 19 A Q - 0 0 149 1,-0.1 2,-0.1 -2,-0.0 -1,-0.1 -0.410 41.6-131.4 -62.8 130.6 68.2 30.3 5.7 20 20 A G - 0 0 33 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.482 20.5-119.8 -83.0 157.9 65.2 28.1 6.6 21 21 A D > - 0 0 94 -2,-0.1 4,-2.6 1,-0.1 3,-0.4 -0.331 31.0 -92.0 -92.7 177.1 63.7 28.0 10.1 22 22 A S H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.777 125.7 55.1 -56.7 -30.2 63.3 25.3 12.7 23 23 A D H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 108.9 46.0 -72.4 -39.2 59.8 24.6 11.3 24 24 A L H > S+ 0 0 78 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.887 109.2 57.2 -68.8 -36.3 61.2 24.1 7.8 25 25 A F H X S+ 0 0 137 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.899 104.4 51.7 -59.7 -40.7 63.9 21.9 9.4 26 26 A K H < S+ 0 0 119 -4,-1.7 4,-0.4 1,-0.2 3,-0.4 0.916 112.9 44.3 -61.2 -45.1 61.2 19.7 10.9 27 27 A L H < S+ 0 0 117 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.808 110.7 57.0 -69.2 -28.6 59.6 19.3 7.5 28 28 A T H < S+ 0 0 53 -4,-2.4 56,-0.2 1,-0.2 -1,-0.2 0.734 108.2 44.5 -74.8 -24.7 63.0 18.7 6.0 29 29 A V S < S+ 0 0 81 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.399 87.7 124.9 -99.4 1.1 63.8 15.8 8.2 30 30 A S - 0 0 51 -3,-0.5 -3,-0.1 -4,-0.4 -4,-0.0 -0.171 57.3-145.7 -58.9 152.4 60.4 14.2 7.7 31 31 A D + 0 0 158 2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.462 64.2 113.2 -98.5 -5.3 60.2 10.6 6.5 32 32 A K - 0 0 115 -5,-0.1 2,-0.3 1,-0.1 21,-0.1 -0.277 56.5-144.0 -65.7 153.9 57.0 11.2 4.5 33 33 A R E -A 52 0A 95 19,-0.5 19,-2.2 49,-0.1 2,-0.3 -0.871 13.6-163.2-121.8 155.7 57.1 11.1 0.7 34 34 A Y E -A 51 0A 69 46,-0.4 46,-2.8 -2,-0.3 2,-0.3 -0.930 9.2-158.3-139.5 161.9 55.3 13.1 -2.0 35 35 A I E -AB 50 79A 3 15,-2.7 15,-2.8 -2,-0.3 2,-0.6 -0.958 23.0-124.3-136.3 153.1 54.4 13.2 -5.7 36 36 A W E +AB 49 78A 26 42,-3.5 42,-0.5 -2,-0.3 2,-0.3 -0.879 41.4 172.9 -96.8 123.6 53.4 15.9 -8.1 37 37 A Y E -A 48 0A 12 11,-2.2 11,-1.8 -2,-0.6 3,-0.1 -0.903 36.7-111.6-132.4 162.5 50.1 15.1 -9.7 38 38 A N - 0 0 21 -2,-0.3 9,-0.2 9,-0.2 6,-0.1 -0.810 17.4-166.3 -95.6 105.5 47.5 16.8 -12.0 39 39 A P S S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.906 89.3 41.3 -55.3 -38.4 44.3 17.6 -10.1 40 40 A D S > S- 0 0 78 3,-0.4 3,-0.8 6,-0.4 6,-0.2 -0.912 77.9-152.1-116.4 105.1 42.7 18.2 -13.5 41 41 A P T 3 S+ 0 0 85 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.723 97.1 56.0 -42.7 -32.2 43.7 15.6 -16.1 42 42 A K T 3 S+ 0 0 176 1,-0.2 2,-1.6 2,-0.1 3,-0.1 0.948 100.7 58.1 -70.1 -48.5 43.2 18.2 -18.9 43 43 A E X + 0 0 93 -3,-0.8 3,-1.5 1,-0.2 -3,-0.4 -0.598 63.6 168.6 -85.5 81.5 45.6 20.7 -17.3 44 44 A R T 3 S+ 0 0 155 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.543 73.5 58.3 -71.6 -7.1 48.7 18.6 -17.3 45 45 A D T 3 S+ 0 0 8 -3,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.384 87.2 85.0-102.8 1.5 50.9 21.6 -16.5 46 46 A S < - 0 0 46 -3,-1.5 -6,-0.4 -6,-0.2 2,-0.3 -0.918 64.5-177.6-106.8 112.1 49.0 22.4 -13.3 47 47 A Y - 0 0 40 -2,-0.7 2,-0.3 -9,-0.2 -9,-0.2 -0.756 17.5-172.0-113.7 157.7 50.4 20.4 -10.4 48 48 A E E -A 37 0A 86 -11,-1.8 -11,-2.2 -2,-0.3 2,-0.5 -0.902 31.0-109.6-136.5 161.0 49.7 19.9 -6.7 49 49 A C E -A 36 0A 37 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.845 34.5-175.3-100.3 129.4 51.7 18.1 -4.1 50 50 A G E -A 35 0A 1 -15,-2.8 -15,-2.7 -2,-0.5 2,-0.4 -0.949 23.5-122.1-124.8 145.5 50.2 14.8 -2.7 51 51 A E E -AC 34 63A 53 12,-0.8 12,-2.1 -2,-0.4 2,-0.5 -0.706 21.9-128.9 -87.8 131.6 51.5 12.6 0.0 52 52 A I E +AC 33 62A 15 -19,-2.2 -19,-0.5 -2,-0.4 10,-0.3 -0.678 31.6 172.8 -76.8 122.3 52.2 9.0 -0.8 53 53 A V E + 0 0 64 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.642 60.8 0.7-106.3 -19.5 50.4 6.9 1.8 54 54 A S E - C 0 61A 59 7,-1.6 7,-2.4 2,-0.0 2,-0.3 -0.975 59.4-162.4-159.2 168.2 50.9 3.4 0.4 55 55 A E E - C 0 60A 93 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.993 6.5-157.1-156.7 157.4 52.5 1.5 -2.4 56 56 A T E > - C 0 59A 65 3,-2.3 3,-0.9 -2,-0.3 5,-0.0 -0.631 54.1 -78.8-121.7-177.5 52.5 -1.9 -4.3 57 57 A S T 3 S+ 0 0 117 1,-0.2 3,-0.0 -2,-0.2 0, 0.0 0.807 129.5 16.6 -56.8 -29.5 55.2 -3.5 -6.3 58 58 A D T 3 S+ 0 0 76 16,-0.0 16,-1.3 1,-0.0 17,-0.3 0.067 119.8 50.2-135.5 30.1 54.3 -1.2 -9.3 59 59 A S E < -CD 56 73A 4 -3,-0.9 -3,-2.3 14,-0.3 2,-0.3 -0.996 55.6-138.4-163.1 161.2 52.2 1.7 -8.0 60 60 A F E -CD 55 72A 8 12,-2.8 12,-2.2 -2,-0.3 2,-0.4 -0.919 8.9-155.8-123.0 148.7 51.7 4.5 -5.6 61 61 A T E +CD 54 71A 20 -7,-2.4 -8,-2.5 -2,-0.3 -7,-1.6 -0.996 23.6 173.3-124.2 127.2 48.6 5.6 -3.8 62 62 A F E -CD 52 70A 9 8,-2.7 8,-2.9 -2,-0.4 2,-0.4 -0.923 31.8-113.6-135.1 161.2 48.6 9.3 -2.6 63 63 A K E -CD 51 69A 94 -12,-2.1 -12,-0.8 -2,-0.3 6,-0.2 -0.807 28.8-139.8 -96.5 132.4 46.1 11.7 -1.0 64 64 A T - 0 0 9 4,-3.0 -13,-0.1 -2,-0.4 -14,-0.1 -0.220 31.1 -99.7 -79.1 176.5 45.1 14.8 -3.1 65 65 A V S S+ 0 0 94 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.933 124.7 48.8 -64.2 -45.2 44.7 18.2 -1.6 66 66 A D S S- 0 0 126 1,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.787 123.6-103.9 -65.4 -28.7 40.9 17.9 -1.3 67 67 A G S S+ 0 0 38 1,-0.4 -2,-0.1 0, 0.0 -1,-0.1 0.068 75.4 129.2 130.6 -29.3 41.3 14.5 0.4 68 68 A Q - 0 0 132 -5,-0.1 -4,-3.0 1,-0.1 2,-0.4 -0.185 55.9-121.6 -58.6 151.3 40.5 11.8 -2.2 69 69 A D E -D 63 0A 57 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.834 28.5-171.6-100.9 133.3 43.0 9.0 -2.8 70 70 A R E -D 62 0A 85 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.3 -0.899 9.3-150.6-122.9 153.5 44.5 8.4 -6.2 71 71 A Q E +D 61 0A 134 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.887 16.0 175.6-120.6 152.2 46.7 5.6 -7.5 72 72 A V E -D 60 0A 38 -12,-2.2 -12,-2.8 -2,-0.3 5,-0.1 -0.990 36.1-100.9-155.2 147.5 49.3 5.7 -10.3 73 73 A K E > -D 59 0A 108 -2,-0.3 3,-1.1 -14,-0.2 -14,-0.3 -0.410 30.9-127.2 -66.8 145.8 51.9 3.4 -11.8 74 74 A K T 3 S+ 0 0 61 -16,-1.3 3,-0.4 1,-0.3 5,-0.1 0.730 109.7 61.1 -67.3 -20.2 55.4 4.0 -10.6 75 75 A D T 3 S+ 0 0 154 -17,-0.3 -1,-0.3 1,-0.2 -16,-0.1 0.707 110.8 38.1 -78.0 -21.1 56.5 4.3 -14.2 76 76 A D S < S+ 0 0 113 -3,-1.1 2,-0.4 2,-0.0 -1,-0.2 0.250 92.7 117.0-110.9 9.2 54.2 7.3 -14.7 77 77 A A - 0 0 22 -3,-0.4 2,-0.9 -4,-0.3 -40,-0.1 -0.643 53.2-153.6 -85.8 133.3 54.8 8.8 -11.3 78 78 A N E -B 36 0A 48 -42,-0.5 -42,-3.5 -2,-0.4 20,-0.1 -0.792 23.8-157.7-103.0 86.2 56.4 12.3 -11.0 79 79 A Q E -B 35 0A 34 -2,-0.9 2,-0.4 -44,-0.3 -44,-0.3 -0.313 13.6-121.5 -66.6 146.5 57.9 12.0 -7.5 80 80 A R - 0 0 50 -46,-2.8 -46,-0.4 -30,-0.2 3,-0.1 -0.743 28.8-118.2 -89.2 136.6 58.7 15.1 -5.5 81 81 A N - 0 0 9 -2,-0.4 5,-0.1 15,-0.2 -1,-0.1 -0.286 41.1 -84.7 -69.6 155.1 62.3 15.6 -4.5 82 82 A P > - 0 0 63 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.428 45.4-118.9 -57.9 136.1 63.2 15.7 -0.8 83 83 A I G > S+ 0 0 41 1,-0.3 3,-1.3 -56,-0.2 -55,-0.1 0.626 107.4 80.5 -59.0 -10.4 62.7 19.3 0.1 84 84 A K G 3 S+ 0 0 150 1,-0.3 -1,-0.3 -56,-0.2 -56,-0.0 0.749 91.1 55.9 -65.8 -19.3 66.3 19.7 1.0 85 85 A F G X S+ 0 0 29 -3,-2.7 3,-2.8 2,-0.1 2,-0.6 0.611 77.1 116.4 -84.9 -15.1 66.8 20.0 -2.8 86 86 A D T < S+ 0 0 39 -3,-1.3 19,-0.1 -4,-0.3 -3,-0.0 -0.413 87.3 14.4 -60.9 108.2 64.3 22.9 -3.0 87 87 A G T 3 S+ 0 0 5 -2,-0.6 -1,-0.3 1,-0.3 -70,-0.1 0.348 86.0 164.1 107.8 -3.0 66.4 25.8 -4.2 88 88 A V < - 0 0 21 -3,-2.8 -1,-0.3 1,-0.1 3,-0.1 -0.148 37.4-137.5 -49.8 137.1 69.4 23.8 -5.3 89 89 A E S S+ 0 0 45 1,-0.2 29,-2.8 28,-0.1 2,-0.4 0.710 91.2 39.3 -74.0 -23.3 71.7 25.8 -7.6 90 90 A D B > -e 118 0B 23 27,-0.2 3,-1.8 29,-0.1 -1,-0.2 -0.956 68.4-159.3-130.2 110.4 72.4 23.0 -10.1 91 91 A M G > S+ 0 0 0 27,-2.3 3,-1.1 -2,-0.4 28,-0.1 0.502 83.5 81.9 -70.1 -1.9 69.4 20.8 -11.0 92 92 A S G 3 S+ 0 0 26 1,-0.2 -1,-0.3 26,-0.1 27,-0.1 0.652 86.6 62.4 -74.2 -11.1 71.6 18.0 -12.2 93 93 A E G < S+ 0 0 113 -3,-1.8 -1,-0.2 -8,-0.1 -2,-0.2 0.585 77.1 115.3 -86.9 -12.6 71.8 17.3 -8.5 94 94 A L < - 0 0 3 -3,-1.1 3,-0.1 1,-0.1 8,-0.0 -0.305 61.8-145.2 -60.6 138.9 68.1 16.6 -8.2 95 95 A S S S+ 0 0 62 1,-0.2 2,-0.6 -13,-0.1 -1,-0.1 0.918 90.8 43.2 -70.7 -43.3 67.2 13.0 -7.3 96 96 A Y S S- 0 0 71 2,-0.1 2,-0.9 -18,-0.0 -1,-0.2 -0.915 71.0-164.6-109.0 117.5 64.1 13.1 -9.4 97 97 A L + 0 0 19 -2,-0.6 2,-0.3 -3,-0.1 -18,-0.0 -0.810 37.9 125.1-104.2 94.6 64.3 14.7 -12.9 98 98 A N > - 0 0 17 -2,-0.9 4,-2.6 -19,-0.1 5,-0.2 -0.948 69.6 -97.5-143.2 162.0 60.8 15.3 -14.1 99 99 A E H > S+ 0 0 61 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.886 119.4 43.3 -49.2 -54.9 58.9 18.4 -15.4 100 100 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.865 114.5 52.6 -64.0 -32.1 57.0 19.4 -12.2 101 101 A A H > S+ 0 0 4 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.924 111.9 44.4 -67.7 -44.4 60.2 18.8 -10.2 102 102 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.923 114.9 48.6 -66.2 -43.2 62.3 21.1 -12.4 103 103 A F H X S+ 0 0 9 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.923 109.5 53.7 -62.3 -44.3 59.6 23.7 -12.5 104 104 A H H X S+ 0 0 25 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.898 106.9 50.3 -57.5 -44.8 59.2 23.6 -8.8 105 105 A N H X S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.937 111.9 47.4 -60.4 -46.9 63.0 24.2 -8.1 106 106 A L H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.858 111.9 52.8 -61.1 -35.5 63.0 27.2 -10.5 107 107 A R H X S+ 0 0 72 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.932 106.2 51.0 -67.1 -46.9 59.8 28.5 -8.7 108 108 A V H X S+ 0 0 30 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.945 115.8 42.2 -56.7 -48.4 61.4 28.3 -5.2 109 109 A R H ><>S+ 0 0 3 -4,-2.1 5,-2.8 1,-0.2 3,-1.3 0.935 114.3 51.7 -64.1 -45.3 64.4 30.2 -6.4 110 110 A Y H ><5S+ 0 0 5 -4,-2.7 3,-2.3 1,-0.3 -2,-0.2 0.888 100.3 62.8 -58.3 -42.7 62.2 32.7 -8.4 111 111 A N H 3<5S+ 0 0 113 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.713 110.0 40.4 -57.5 -22.8 60.0 33.3 -5.4 112 112 A Q T <<5S- 0 0 71 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 -0.066 125.2-100.6-116.8 34.0 63.0 34.8 -3.6 113 113 A D T < 5S+ 0 0 53 -3,-2.3 2,-1.0 1,-0.2 -3,-0.2 0.717 75.4 141.2 55.8 31.7 64.4 36.6 -6.7 114 114 A L < + 0 0 9 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.1 -0.837 18.9 169.4 -99.6 93.2 67.0 34.0 -7.6 115 115 A I + 0 0 6 -2,-1.0 11,-2.1 -3,-0.1 2,-0.4 0.650 51.0 76.6 -83.3 -16.2 66.6 34.2 -11.3 116 116 A Y E + F 0 125B 5 37,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.802 52.1 161.7-101.2 138.6 69.7 32.2 -12.2 117 117 A T E - 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0 0 28 529,-2.6 57,-0.1 -2,-0.6 -1,-0.0 -0.287 24.6-166.4 -53.8 122.3 63.0 37.1 -16.4 128 128 A P - 0 0 20 0, 0.0 537,-0.5 0, 0.0 -1,-0.1 0.669 18.8-145.9 -85.0 -19.8 62.1 38.9 -13.1 129 129 A F S S+ 0 0 46 1,-0.2 2,-0.3 535,-0.1 -2,-0.1 0.865 72.9 73.1 51.4 39.7 60.5 41.9 -14.8 130 130 A K S S- 0 0 100 533,-0.1 2,-0.3 534,-0.1 -1,-0.2 -0.935 93.9 -84.1-170.2 158.2 61.8 44.0 -12.0 131 131 A R - 0 0 238 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.538 37.6-175.9 -76.5 132.7 65.2 45.4 -10.8 132 132 A I - 0 0 13 -2,-0.3 2,-2.6 0, 0.0 3,-0.2 -0.989 28.6-129.2-131.9 121.0 67.4 43.2 -8.7 133 133 A P S S+ 0 0 62 0, 0.0 3,-0.3 0, 0.0 -119,-0.1 -0.198 74.5 110.0 -64.8 49.8 70.7 44.7 -7.3 134 134 A I + 0 0 1 -2,-2.6 -3,-0.0 1,-0.1 -123,-0.0 0.149 60.9 67.4-114.0 20.3 73.0 41.9 -8.5 135 135 A Y + 0 0 46 -3,-0.2 -1,-0.1 4,-0.1 2,-0.0 0.060 66.6 126.4-127.4 25.8 74.9 43.6 -11.3 136 136 A T S > S- 0 0 58 -3,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.297 76.0-105.4 -78.4 167.6 77.0 46.2 -9.4 137 137 A Q H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.848 124.7 57.3 -61.4 -32.5 80.8 46.5 -9.7 138 138 A E H > S+ 0 0 127 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.918 106.6 47.7 -63.3 -42.9 81.0 44.8 -6.3 139 139 A M H > S+ 0 0 5 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.903 110.9 51.8 -63.9 -41.3 79.0 41.9 -7.7 140 140 A V H X S+ 0 0 2 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.925 106.1 54.5 -60.1 -46.1 81.4 41.8 -10.7 141 141 A D H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 102.5 58.9 -59.3 -32.0 84.4 41.7 -8.4 142 142 A I H < S+ 0 0 20 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.869 105.9 44.4 -67.9 -39.7 83.1 38.7 -6.6 143 143 A F H >< S+ 0 0 1 -4,-1.2 3,-2.5 -3,-0.4 -1,-0.2 0.662 81.8 124.4 -80.3 -15.7 82.9 36.3 -9.5 144 144 A K T 3< S- 0 0 113 -4,-1.0 3,-0.1 1,-0.3 13,-0.1 -0.221 91.3 -10.0 -51.6 116.9 86.2 37.3 -10.9 145 145 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.3 12,-0.1 2,-0.2 0.487 99.9 141.5 72.6 4.2 88.3 34.2 -11.3 146 146 A R < - 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0 0 35 -2,-0.0 5,-0.0 0, 0.0 -1,-0.0 -0.889 48.1 -37.0-164.7-170.6 56.0 68.6 -34.1 300 300 A G > - 0 0 18 -2,-0.3 3,-3.0 1,-0.1 4,-0.1 -0.320 54.0-115.0 -66.7 147.0 54.1 66.1 -31.9 301 301 A P G > S+ 0 0 28 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.779 114.1 67.7 -49.2 -30.9 54.1 62.4 -32.8 302 302 A E G 3 S+ 0 0 124 1,-0.3 6,-0.1 5,-0.1 -2,-0.1 0.677 90.4 63.9 -65.8 -16.7 50.3 62.6 -33.4 303 303 A S G < S+ 0 0 65 -3,-3.0 2,-0.4 4,-0.1 -1,-0.3 0.345 93.0 77.6 -89.0 7.3 51.1 64.9 -36.4 304 304 A F X> - 0 0 5 -3,-1.8 3,-2.1 -4,-0.1 4,-1.6 -0.969 67.9-148.0-126.6 127.6 52.9 62.0 -38.2 305 305 A N T 34 S+ 0 0 69 -2,-0.4 4,-0.2 1,-0.3 -1,-0.1 0.817 101.5 57.8 -56.1 -34.0 51.3 59.1 -40.1 306 306 A Y T 34 S+ 0 0 9 46,-0.3 -1,-0.3 1,-0.2 -36,-0.1 0.526 119.0 29.8 -77.4 -3.7 54.3 56.9 -39.1 307 307 A L T <4 S+ 0 0 0 -3,-2.1 -2,-0.2 -6,-0.3 4,-0.2 0.465 112.0 59.5-131.5 -5.3 53.6 57.5 -35.4 308 308 A N S < S+ 0 0 48 -4,-1.6 -2,-0.1 1,-0.1 -3,-0.1 0.094 85.0 75.2-115.7 25.1 49.9 58.1 -35.0 309 309 A Q S S+ 0 0 131 -4,-0.2 -1,-0.1 3,-0.1 -3,-0.1 0.672 87.5 56.2-106.5 -22.2 48.4 54.9 -36.3 310 310 A S S S- 0 0 4 2,-0.2 -36,-2.3 -37,-0.1 -2,-0.1 0.776 98.2-125.7 -81.2 -28.1 49.0 52.4 -33.5 311 311 A G S S+ 0 0 79 -4,-0.2 2,-0.4 1,-0.2 -3,-0.1 0.560 81.8 96.9 90.8 10.0 47.3 54.4 -30.7 312 312 A C + 0 0 15 -37,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.973 29.4 152.9-137.6 122.1 50.5 54.3 -28.7 313 313 A V + 0 0 45 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.419 66.3 47.1-123.3 -6.5 53.2 57.0 -28.5 314 314 A D - 0 0 104 5,-0.0 2,-0.5 6,-0.0 -1,-0.1 -0.968 65.6-137.0-139.6 157.0 54.7 56.3 -25.1 315 315 A I > - 0 0 7 3,-0.3 3,-2.3 -2,-0.3 5,-0.1 -0.939 35.4-106.7-113.4 129.7 55.9 53.5 -22.9 316 316 A K T 3 S+ 0 0 188 -2,-0.5 3,-0.1 1,-0.3 -82,-0.0 -0.305 105.0 10.9 -55.9 128.8 55.0 53.2 -19.2 317 317 A G T 3 S+ 0 0 75 1,-0.2 2,-0.5 -2,-0.0 -1,-0.3 0.468 105.8 109.2 82.4 0.6 58.0 54.1 -17.1 318 318 A V < - 0 0 57 -3,-2.3 2,-0.8 4,-0.0 -3,-0.3 -0.942 53.7-156.9-116.7 132.7 60.0 55.4 -20.0 319 319 A S > - 0 0 58 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 -0.904 4.1-169.3-105.9 103.4 60.9 59.0 -20.6 320 320 A D H > S+ 0 0 15 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.848 88.2 55.5 -61.1 -34.0 61.7 59.3 -24.3 321 321 A S H > S+ 0 0 35 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.916 110.7 43.9 -65.2 -43.3 63.1 62.8 -23.7 322 322 A E H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.868 111.1 54.4 -69.4 -36.7 65.5 61.5 -21.1 323 323 A E H X S+ 0 0 68 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.863 101.6 58.9 -64.9 -35.2 66.4 58.5 -23.4 324 324 A F H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.875 104.0 52.1 -61.3 -35.0 67.2 61.0 -26.2 325 325 A K H X S+ 0 0 86 -4,-1.0 4,-1.9 -3,-0.2 -1,-0.2 0.901 110.0 47.9 -67.0 -40.8 69.8 62.5 -23.8 326 326 A I H X S+ 0 0 73 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.899 110.2 52.1 -66.7 -40.2 71.3 59.0 -23.2 327 327 A T H X S+ 0 0 2 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.915 110.4 48.3 -62.5 -42.9 71.4 58.3 -26.9 328 328 A R H X S+ 0 0 59 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.856 109.4 51.6 -67.4 -36.1 73.2 61.6 -27.6 329 329 A Q H X S+ 0 0 121 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.858 108.9 52.2 -69.1 -33.2 75.8 61.0 -24.9 330 330 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.887 108.6 49.7 -69.3 -38.2 76.5 57.6 -26.3 331 331 A M H X>S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 4,-2.6 0.909 111.0 50.8 -66.2 -40.8 77.1 59.0 -29.8 332 332 A D H <5S+ 0 0 81 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.957 112.8 44.7 -59.7 -52.7 79.5 61.6 -28.3 333 333 A I H <5S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.887 113.8 50.0 -60.4 -41.0 81.5 59.0 -26.4 334 334 A V H <5S- 0 0 3 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.909 123.4 -99.5 -66.2 -43.0 81.6 56.7 -29.4 335 335 A G T <5 + 0 0 52 -4,-2.6 2,-0.7 1,-0.2 -3,-0.2 0.603 64.1 151.0 132.8 18.8 82.8 59.4 -31.8 336 336 A F < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.715 43.0-130.3 -82.7 117.7 79.9 60.8 -33.8 337 337 A S > - 0 0 48 -2,-0.7 4,-2.4 1,-0.1 5,-0.1 -0.101 20.2-112.1 -58.8 164.5 80.7 64.4 -34.7 338 338 A Q H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.762 120.0 54.2 -70.9 -25.8 78.0 67.1 -34.0 339 339 A E H > S+ 0 0 138 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 109.8 46.6 -73.8 -41.3 77.6 67.5 -37.8 340 340 A E H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.914 110.1 53.2 -66.7 -43.8 77.0 63.8 -38.3 341 341 A Q H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.908 109.1 49.1 -58.7 -42.5 74.6 63.7 -35.4 342 342 A M H X S+ 0 0 51 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.886 109.3 52.0 -65.4 -38.4 72.5 66.5 -36.9 343 343 A S H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.904 107.7 53.7 -62.8 -40.3 72.6 64.7 -40.3 344 344 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.917 110.9 44.1 -59.9 -46.1 71.2 61.6 -38.6 345 345 A F H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.772 108.6 58.7 -71.9 -24.9 68.3 63.5 -37.0 346 346 A K H X S+ 0 0 66 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.897 108.1 46.5 -68.1 -38.8 67.7 65.2 -40.3 347 347 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.904 113.1 48.0 -67.6 -43.8 67.3 61.7 -41.8 348 348 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.929 116.1 44.7 -62.6 -45.0 65.0 60.7 -39.0 349 349 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.939 110.9 54.3 -64.4 -46.5 63.0 63.9 -39.4 350 350 A G H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.895 105.0 53.9 -54.1 -43.4 63.0 63.5 -43.2 351 351 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.928 107.0 51.4 -58.4 -45.6 61.5 60.0 -42.9 352 352 A L H X S+ 0 0 0 -4,-1.7 4,-0.7 1,-0.2 -46,-0.3 0.931 111.3 46.8 -58.7 -46.8 58.6 61.4 -40.7 353 353 A H H >X S+ 0 0 10 -4,-2.2 3,-1.2 1,-0.2 4,-0.6 0.898 107.8 56.4 -62.7 -40.7 57.8 64.1 -43.3 354 354 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.889 102.7 57.5 -58.2 -35.9 58.0 61.6 -46.1 355 355 A G H 3< S+ 0 0 2 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.740 100.7 56.9 -66.9 -22.2 55.4 59.6 -44.2 356 356 A N H << S+ 0 0 43 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.569 75.4 116.1 -87.1 -7.7 53.0 62.6 -44.3 357 357 A I << - 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