==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN 19-SEP-08 3EK8 . COMPND 2 MOLECULE: MYOSIN LIGHT CHAIN KINASE, GREEN FLUORESCENT PROT . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR J.AKERBOOM,J.D.VELEZ RIVERA,L.L.LOOGER,E.R.SCHREITER . 393 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 25.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 1 0 2 1 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 2 1 0 1 0 1 2 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 1 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 40 A S 0 0 106 0, 0.0 3,-0.2 0, 0.0 372,-0.0 0.000 360.0 360.0 360.0-151.4 34.8 34.6 26.4 2 41 A R >> + 0 0 129 1,-0.1 3,-3.3 2,-0.1 4,-0.6 0.690 360.0 83.8 -96.7 -28.0 33.5 31.3 27.8 3 42 A R H 3> S+ 0 0 135 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.229 73.3 79.9 -60.2 13.3 35.7 29.1 25.5 4 43 A K H 3> S+ 0 0 26 -3,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.633 90.6 51.7 -89.0 -25.2 38.4 29.8 28.2 5 44 A W H <> S+ 0 0 6 -3,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.939 109.2 47.7 -70.9 -51.3 36.7 27.1 30.2 6 45 A N H X S+ 0 0 31 -4,-0.6 4,-3.1 2,-0.2 5,-0.2 0.895 111.7 51.9 -56.0 -45.8 36.7 24.5 27.4 7 46 A K H X S+ 0 0 38 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.980 119.0 32.0 -56.6 -64.8 40.4 25.3 26.7 8 47 A T H X S+ 0 0 0 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.744 116.5 60.6 -72.1 -22.3 41.7 24.8 30.2 9 48 A G H >X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 3,-0.7 0.971 107.8 43.4 -61.1 -55.1 39.0 22.2 30.8 10 49 A H H 3X S+ 0 0 4 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.787 108.5 59.6 -61.3 -30.3 40.5 20.1 28.0 11 50 A A H 3X S+ 0 0 1 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.805 110.1 41.9 -68.9 -29.6 44.0 20.7 29.2 12 51 A V H X S+ 0 0 29 -4,-2.2 4,-1.1 2,-0.2 3,-0.7 0.965 109.8 44.5 -49.0 -54.8 43.9 13.1 33.2 17 56 A R H >< S+ 0 0 10 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.916 111.1 50.1 -59.6 -51.3 44.4 10.9 30.1 18 57 A L H 3< S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.650 110.1 54.1 -66.3 -14.8 48.2 10.9 30.1 19 58 A S H << S+ 0 0 72 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.731 101.9 67.9 -89.8 -25.3 48.1 9.9 33.8 20 59 A S S << S- 0 0 18 -4,-1.1 2,-0.6 -3,-0.8 283,-0.0 -0.357 79.9-122.2 -91.9 173.5 45.9 6.8 33.3 21 60 A L + 0 0 107 1,-0.1 19,-0.4 -2,-0.1 4,-0.1 -0.924 39.7 156.2-118.7 101.5 46.4 3.5 31.6 22 61 A E + 0 0 12 -2,-0.6 -1,-0.1 -5,-0.2 2,-0.1 0.436 44.7 87.9-107.1 -0.8 43.9 2.9 28.9 23 62 A N S S- 0 0 8 53,-0.1 2,-1.0 1,-0.1 17,-0.3 -0.283 86.6 -93.3 -97.4 177.7 45.6 0.4 26.6 24 63 A V E -A 75 0A 11 51,-2.8 51,-1.9 15,-0.1 2,-0.5 -0.816 44.5-154.2 -91.1 99.9 46.0 -3.4 26.4 25 64 A Y E -AB 74 38A 37 13,-1.8 13,-1.8 -2,-1.0 2,-0.4 -0.671 11.0-166.4 -83.6 124.1 49.3 -4.0 28.3 26 65 A I E +AB 73 37A 1 47,-3.2 47,-1.4 -2,-0.5 2,-0.3 -0.902 8.9 176.3-116.6 139.2 51.1 -7.1 27.3 27 66 A M E - B 0 36A 42 9,-2.6 9,-2.6 -2,-0.4 44,-0.1 -0.978 35.2 -98.3-137.1 151.3 53.9 -8.9 29.1 28 67 A A E - B 0 35A 39 42,-0.5 2,-0.3 -2,-0.3 7,-0.3 -0.358 26.3-165.9 -59.3 144.3 56.0 -12.0 28.6 29 68 A D E > > + B 0 34A 17 5,-2.4 5,-2.7 1,-0.1 3,-0.5 -0.780 10.4 176.4-130.7 90.2 54.9 -15.0 30.7 30 69 A K G > 5S+ 0 0 153 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.872 72.6 62.2 -67.5 -37.9 57.8 -17.4 30.5 31 70 A Q G 3 5S+ 0 0 186 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.851 114.3 34.3 -53.9 -42.0 56.4 -20.0 32.9 32 71 A K G < 5S- 0 0 93 -3,-0.5 -1,-0.3 27,-0.1 -2,-0.2 0.227 109.8-121.2 -98.0 8.8 53.5 -20.7 30.6 33 72 A N T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.919 86.1 72.8 46.5 49.8 55.6 -20.0 27.5 34 73 A G E - 0 0 45 -2,-0.3 3,-2.7 1,-0.1 7,-0.1 -0.887 18.1-153.9 -92.5 109.9 22.4 -4.0 10.5 85 124 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.666 93.8 55.1 -66.3 -14.9 19.0 -2.3 9.6 86 125 A N T 3 S+ 0 0 145 -3,-0.0 2,-0.6 2,-0.0 -2,-0.0 0.274 86.4 104.3 -90.2 5.8 18.0 -5.4 7.7 87 126 A E < + 0 0 26 -3,-2.7 4,-0.1 1,-0.2 -3,-0.1 -0.830 41.4 179.0-105.3 119.5 18.6 -7.7 10.7 88 127 A K + 0 0 207 -2,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.882 63.9 76.0 -78.8 -42.0 15.6 -9.0 12.7 89 128 A R S S- 0 0 142 1,-0.1 2,-0.7 69,-0.0 66,-0.1 -0.037 100.9 -85.8 -66.7 166.2 17.7 -11.0 15.2 90 129 A D S S+ 0 0 49 64,-0.4 64,-3.2 67,-0.4 2,-0.2 -0.708 72.0 151.7 -75.1 116.2 19.7 -9.7 18.1 91 130 A H E - F 0 153A 12 -2,-0.7 2,-0.3 62,-0.2 62,-0.2 -0.810 40.3-145.2-141.6 173.3 23.0 -8.8 16.5 92 131 A M E - F 0 152A 0 60,-1.8 60,-2.3 -2,-0.2 2,-0.5 -0.913 8.1-154.9-147.9 120.6 26.1 -6.5 16.6 93 132 A V E -EF 82 151A 40 -11,-2.8 -11,-3.2 -2,-0.3 2,-0.4 -0.870 23.2-164.3 -93.6 130.6 28.0 -5.2 13.6 94 133 A L E -EF 81 150A 8 56,-3.4 56,-2.3 -2,-0.5 2,-0.5 -0.964 20.2-176.6-125.5 126.6 31.6 -4.5 14.7 95 134 A L E +EF 80 149A 44 -15,-2.8 -15,-3.0 -2,-0.4 2,-0.4 -0.989 21.1 176.5-118.5 128.2 34.4 -2.4 13.0 96 135 A E E -EF 79 148A 28 52,-2.4 52,-2.2 -2,-0.5 2,-0.4 -0.991 21.3-167.3-141.7 134.9 37.7 -2.5 14.9 97 136 A F E -EF 78 147A 78 -19,-2.5 -19,-2.2 -2,-0.4 2,-0.4 -0.983 12.2-176.3-122.8 132.7 41.3 -1.2 14.4 98 137 A V E +E 77 0A 10 48,-1.5 79,-2.6 -2,-0.4 2,-0.4 -0.972 3.6 177.4-135.3 120.3 44.2 -2.4 16.6 99 138 A T E -Eg 76 177A 44 -23,-1.9 -23,-2.4 -2,-0.4 2,-0.3 -0.970 23.6-132.6-123.1 139.9 47.8 -1.2 16.6 100 139 A A E +E 75 0A 0 77,-2.8 2,-0.3 -2,-0.4 -25,-0.2 -0.640 41.4 142.8 -80.7 144.3 50.7 -2.3 18.7 101 140 A A E +E 74 0A 8 -27,-2.1 -27,-2.9 -2,-0.3 205,-0.1 -0.909 20.6 102.2-162.1-176.1 52.8 0.4 20.3 102 141 A G + 0 0 13 203,-0.5 2,-0.5 -2,-0.3 204,-0.1 0.417 65.0 94.4 105.4 -0.7 54.7 1.2 23.4 103 142 A I - 0 0 39 -29,-0.1 -1,-0.2 199,-0.0 78,-0.1 -0.990 68.5-137.1-120.7 121.8 58.3 0.6 22.3 104 143 A T 0 0 80 -2,-0.5 205,-0.2 1,-0.1 204,-0.1 -0.345 360.0 360.0 -73.9 153.8 60.2 3.6 21.1 105 144 A L 0 0 147 203,-1.8 -1,-0.1 202,-0.2 204,-0.1 0.875 360.0 360.0 -70.2 360.0 62.5 3.8 18.0 106 ! 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 0.0 107 159 A V 0 0 127 0, 0.0 77,-0.1 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 98.6 59.5 -11.9 12.1 108 160 A S - 0 0 24 75,-0.4 4,-0.4 78,-0.1 3,-0.1 0.110 360.0-112.7 -74.5 172.9 57.9 -15.4 12.6 109 161 A K S > S+ 0 0 174 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.867 115.0 53.0 -70.1 -40.4 56.6 -18.1 10.2 110 162 A G G > S+ 0 0 5 80,-0.3 3,-1.5 1,-0.2 4,-0.4 0.708 89.2 77.2 -68.9 -24.1 52.9 -17.6 11.1 111 163 A E G > S+ 0 0 27 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.822 87.1 65.1 -51.5 -30.7 53.2 -13.9 10.4 112 164 A E G X S+ 0 0 131 -3,-1.1 3,-1.1 -4,-0.4 -1,-0.3 0.798 89.5 63.6 -62.9 -32.7 53.0 -15.2 6.8 113 165 A L G < S+ 0 0 76 -3,-1.5 -1,-0.2 -4,-0.2 3,-0.2 0.635 101.5 52.0 -68.7 -12.6 49.5 -16.5 7.3 114 166 A F G < S+ 0 0 2 -3,-1.2 30,-0.4 -4,-0.4 29,-0.3 0.187 72.6 105.0-111.1 16.9 48.2 -12.9 7.9 115 167 A T S < S+ 0 0 99 -3,-1.1 -1,-0.1 28,-0.1 -2,-0.1 0.790 85.2 26.9 -74.9 -27.6 49.4 -11.0 4.9 116 168 A G S S- 0 0 36 -3,-0.2 2,-0.6 -4,-0.2 27,-0.5 -0.202 111.5 -51.3-109.1-154.8 46.1 -10.7 3.1 117 169 A V - 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0 0 75 -5,-1.0 -1,-0.4 1,-0.0 -2,-0.1 -0.054 50.4-157.9 -67.0 174.6 52.1 18.8 40.1 291 345 A N + 0 0 132 -3,-0.1 2,-0.2 -4,-0.1 -9,-0.0 -0.508 16.4 178.4-161.5 81.4 55.8 17.9 39.9 292 346 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.500 25.7-111.9 -98.4 157.1 56.8 14.8 37.9 293 347 A T > - 0 0 78 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.335 31.3-107.3 -80.2 164.6 60.1 13.2 37.1 294 348 A E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.770 121.0 56.1 -57.5 -28.7 61.7 12.9 33.6 295 349 A A H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.892 104.9 49.5 -74.2 -41.8 60.8 9.1 33.8 296 350 A E H > S+ 0 0 91 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.917 109.6 52.5 -61.4 -42.6 57.1 9.7 34.4 297 351 A L H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.3 5,-0.3 0.940 108.8 48.5 -64.1 -45.0 56.9 12.2 31.5 298 352 A Q H X S+ 0 0 102 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.871 114.6 50.0 -55.9 -36.3 58.5 9.7 29.1 299 353 A D H X S+ 0 0 113 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.936 109.0 46.9 -70.9 -49.5 55.9 7.3 30.5 300 354 A M H >< S+ 0 0 18 -4,-3.3 3,-0.7 1,-0.2 4,-0.5 0.917 114.4 48.8 -59.9 -44.4 52.9 9.4 30.0 301 355 A I H >X S+ 0 0 2 -4,-2.6 3,-1.8 1,-0.2 4,-1.1 0.906 104.6 59.2 -62.1 -40.4 53.9 10.3 26.5 302 356 A N H 3< S+ 0 0 35 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.783 93.6 68.3 -61.4 -26.2 54.6 6.6 25.8 303 357 A E T << S+ 0 0 12 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.764 118.5 19.3 -55.7 -31.0 50.8 6.0 26.6 304 358 A V T <4 S+ 0 0 15 -3,-1.8 2,-1.6 -4,-0.5 -2,-0.2 0.370 88.3 118.5-126.7 2.3 49.8 7.9 23.5 305 359 A D >< + 0 0 0 -4,-1.1 3,-0.9 1,-0.2 -203,-0.5 -0.563 34.8 176.6 -83.5 85.5 52.9 7.9 21.3 306 360 A A T 3 S+ 0 0 66 -2,-1.6 -1,-0.2 1,-0.3 -204,-0.1 0.878 78.6 38.7 -60.7 -43.8 51.6 6.0 18.3 307 361 A D T 3 S- 0 0 73 4,-0.2 -1,-0.3 -206,-0.1 -202,-0.2 0.413 104.4-126.0 -91.1 -0.5 54.7 6.3 16.1 308 362 A G < + 0 0 6 -3,-0.9 -203,-1.8 -204,-0.1 -2,-0.1 0.685 67.0 133.1 67.7 22.8 57.1 5.8 19.0 309 363 A N S S- 0 0 63 2,-0.3 -1,-0.1 -205,-0.2 3,-0.1 0.358 76.3-112.4 -87.5 7.2 59.2 9.0 18.4 310 364 A G S S+ 0 0 31 1,-0.2 2,-0.3 -5,-0.1 -32,-0.2 0.498 88.6 85.2 79.6 4.4 59.0 10.0 22.1 311 365 A T S S- 0 0 28 -34,-0.1 2,-0.9 -10,-0.1 -2,-0.3 -0.981 81.7-113.5-136.1 148.2 56.8 13.0 21.6 312 366 A I E -N 276 0C 0 -36,-1.8 -36,-2.7 -2,-0.3 2,-0.1 -0.733 35.8-151.7 -81.8 107.6 53.0 13.6 21.3 313 367 A D E > -N 275 0C 41 -2,-0.9 4,-2.7 -38,-0.2 -38,-0.2 -0.441 28.0-105.9 -75.9 154.3 52.3 14.7 17.7 314 368 A F H > S+ 0 0 54 -40,-2.2 4,-2.1 1,-0.2 5,-0.1 0.899 122.2 45.5 -45.4 -53.9 49.4 16.9 17.0 315 369 A P H > S+ 0 0 79 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.909 110.4 53.3 -56.0 -46.5 47.4 14.0 15.4 316 370 A E H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 108.9 51.9 -54.5 -42.5 48.4 11.6 18.2 317 371 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.900 108.8 48.6 -60.7 -47.9 47.0 14.3 20.5 318 372 A L H X S+ 0 0 38 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.978 111.3 49.7 -55.7 -57.8 43.6 14.5 18.6 319 373 A T H X S+ 0 0 74 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.916 111.9 49.7 -43.5 -50.7 43.3 10.7 18.7 320 374 A M H X S+ 0 0 6 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.918 113.6 44.5 -58.3 -48.2 44.0 10.7 22.4 321 375 A M H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.863 109.8 55.7 -65.8 -39.6 41.4 13.5 23.0 322 376 A A H X S+ 0 0 21 -4,-3.3 4,-1.9 1,-0.2 3,-0.3 0.909 110.2 45.9 -58.4 -44.0 38.8 11.8 20.8 323 377 A R H X S+ 0 0 56 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.872 111.2 52.7 -66.9 -36.2 39.1 8.6 22.8 324 378 A K H < S+ 0 0 13 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.707 111.9 45.6 -74.9 -19.5 38.9 10.6 26.1 325 379 A M H < S+ 0 0 55 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.786 109.1 54.9 -90.2 -32.7 35.7 12.4 24.9 326 380 A K H < S+ 0 0 71 -4,-1.9 -76,-0.3 -5,-0.2 2,-0.3 0.838 107.7 57.7 -64.4 -38.1 34.1 9.1 23.7 327 381 A D S < S- 0 0 29 -4,-1.6 2,-0.4 -5,-0.1 -284,-0.1 -0.665 86.6-123.2 -95.0 151.2 34.6 7.5 27.1 328 382 A T - 0 0 28 -2,-0.3 2,-0.2 -279,-0.1 -3,-0.1 -0.753 22.5-123.3 -95.1 140.6 33.2 8.8 30.4 329 383 A D - 0 0 28 -2,-0.4 -280,-0.1 -5,-0.1 2,-0.1 -0.582 26.9-116.2 -75.8 142.5 35.5 9.6 33.3 330 384 A S > - 0 0 10 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.336 29.3-108.7 -65.5 160.2 34.8 7.8 36.6 331 385 A E H > S+ 0 0 103 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.893 120.4 60.0 -66.1 -35.8 33.9 10.1 39.5 332 386 A E H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 108.4 46.6 -48.0 -48.7 37.3 9.4 41.2 333 387 A E H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.860 110.9 50.0 -63.5 -43.2 38.8 10.9 38.0 334 388 A I H X S+ 0 0 31 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.901 107.7 54.9 -66.5 -38.1 36.5 13.9 37.9 335 389 A R H X S+ 0 0 95 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.945 105.5 52.5 -58.6 -46.3 37.3 14.6 41.6 336 390 A E H X S+ 0 0 116 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.880 107.9 51.3 -54.4 -41.5 41.0 14.7 40.7 337 391 A A H X S+ 0 0 13 -4,-1.7 4,-0.7 2,-0.2 3,-0.4 0.867 111.2 49.2 -61.2 -38.4 40.2 17.3 38.1 338 392 A F H >X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 3,-2.2 0.976 104.1 56.8 -65.7 -55.9 38.3 19.2 40.7 339 393 A R H 3< S+ 0 0 132 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.646 97.1 65.6 -51.5 -17.5 41.2 19.1 43.3 340 394 A V H 3< S+ 0 0 20 -4,-0.7 -1,-0.3 -3,-0.4 3,-0.2 0.879 116.6 26.8 -71.1 -35.7 43.4 20.7 40.6 341 395 A F H << S+ 0 0 0 -3,-2.2 2,-3.4 -4,-0.7 -2,-0.2 0.942 112.1 64.7 -87.8 -60.0 41.2 23.8 41.0 342 396 A D >< + 0 0 6 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 -0.305 69.8 171.6 -62.3 64.1 39.9 23.5 44.5 343 397 A K T 3 S+ 0 0 83 -2,-3.4 -1,-0.2 1,-0.3 6,-0.1 0.801 73.7 41.2 -53.3 -43.5 43.5 23.9 45.8 344 398 A D T 3 S- 0 0 113 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.716 106.7-130.1 -80.9 -20.7 42.7 24.2 49.5 345 399 A G < + 0 0 47 -3,-0.7 -2,-0.1 3,-0.2 -3,-0.1 0.623 60.9 140.2 87.8 15.4 40.1 21.4 49.1 346 400 A N S S- 0 0 86 2,-0.3 3,-0.1 1,-0.1 -3,-0.1 0.603 78.2-102.1 -63.7 -14.3 37.2 23.1 50.9 347 401 A G S S+ 0 0 27 1,-0.2 40,-0.6 -5,-0.2 2,-0.4 0.414 94.1 85.4 106.9 1.5 34.8 21.6 48.2 348 402 A Y E S-O 386 0D 95 38,-0.2 2,-0.8 39,-0.1 -2,-0.3 -0.995 71.4-132.0-141.7 137.4 34.5 24.8 46.2 349 403 A I E -O 385 0D 0 36,-3.3 36,-1.6 -2,-0.4 2,-0.2 -0.833 32.9-153.3 -89.5 112.4 36.4 26.7 43.5 350 404 A S > - 0 0 26 -2,-0.8 4,-2.1 34,-0.2 5,-0.2 -0.477 27.7-111.4 -82.1 154.5 36.7 30.3 44.6 351 405 A A H > S+ 0 0 32 32,-0.4 4,-1.3 1,-0.2 -1,-0.1 0.893 122.0 50.6 -47.5 -42.1 37.1 33.2 42.2 352 406 A A H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 106.7 52.3 -67.6 -42.9 40.7 33.5 43.5 353 407 A E H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 107.1 53.0 -59.3 -42.4 41.5 29.8 43.0 354 408 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.845 109.8 48.6 -64.8 -37.0 40.4 29.9 39.4 355 409 A R H X S+ 0 0 81 -4,-1.3 4,-2.8 -5,-0.2 5,-0.3 0.979 105.4 57.7 -63.3 -57.9 42.6 32.9 38.7 356 410 A H H X S+ 0 0 107 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.842 109.5 46.5 -38.1 -48.9 45.6 31.2 40.3 357 411 A V H X S+ 0 0 1 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.940 113.8 45.4 -62.4 -52.3 45.3 28.3 37.8 358 412 A M H <>S+ 0 0 5 -4,-1.7 5,-0.9 2,-0.2 4,-0.4 0.868 110.1 53.5 -64.3 -43.8 44.9 30.4 34.7 359 413 A T H ><5S+ 0 0 70 -4,-2.8 3,-1.4 1,-0.2 4,-0.5 0.939 111.8 47.4 -52.4 -50.4 47.7 32.8 35.5 360 414 A N H 3<5S+ 0 0 65 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.791 104.2 60.4 -63.1 -32.1 49.9 29.7 35.9 361 415 A L T 3<5S- 0 0 1 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.495 126.5 -96.2 -75.8 -4.2 48.7 28.2 32.6 362 416 A G T < 5S+ 0 0 60 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.913 85.6 121.6 85.6 54.3 50.0 31.3 30.8 363 417 A E < - 0 0 29 -5,-0.9 2,-0.5 -4,-0.5 -1,-0.2 -0.825 45.7-157.2-149.7 104.1 46.9 33.4 30.5 364 418 A K + 0 0 174 -2,-0.3 2,-0.4 -4,-0.1 -5,-0.0 -0.740 25.1 173.1 -80.9 125.2 46.6 37.0 31.8 365 419 A L - 0 0 17 -2,-0.5 -6,-0.1 -10,-0.0 -2,-0.1 -1.000 28.4-121.5-139.9 135.8 42.9 37.7 32.4 366 420 A T > - 0 0 89 -2,-0.4 4,-2.5 1,-0.1 5,-0.1 -0.029 33.3-105.6 -63.1 172.0 41.1 40.7 34.0 367 421 A D H > S+ 0 0 84 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.955 122.2 51.6 -69.1 -50.6 38.7 40.3 37.0 368 422 A E H > S+ 0 0 163 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.814 112.2 52.3 -53.1 -30.7 35.5 40.8 35.0 369 423 A E H > S+ 0 0 59 2,-0.2 4,-1.6 3,-0.1 -2,-0.2 0.984 115.3 37.3 -62.5 -64.5 37.1 38.1 32.8 370 424 A V H >X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 3,-1.1 0.968 117.9 50.3 -49.9 -63.8 37.7 35.7 35.8 371 425 A D H 3X S+ 0 0 80 -4,-3.5 4,-3.7 1,-0.3 -1,-0.2 0.803 106.6 57.5 -47.1 -37.2 34.4 36.6 37.5 372 426 A E H 3X S+ 0 0 101 -4,-1.2 4,-2.2 -5,-0.4 -1,-0.3 0.882 105.1 48.9 -64.4 -41.3 32.6 36.0 34.2 373 427 A M H > -O 348 0D 19 -2,-0.5 4,-2.3 -38,-0.2 3,-0.6 -0.549 42.8 -88.6 -99.1 172.5 31.1 23.1 43.6 387 441 A Y H 3> S+ 0 0 29 -40,-0.6 4,-2.5 1,-0.2 5,-0.2 0.882 125.7 49.3 -47.6 -52.0 31.6 19.5 42.4 388 442 A E H 3> S+ 0 0 144 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.837 112.5 47.9 -61.1 -35.5 28.1 19.2 40.9 389 443 A E H <> S+ 0 0 5 -3,-0.6 4,-0.9 2,-0.2 -1,-0.2 0.861 110.9 52.9 -70.7 -36.8 28.4 22.5 39.0 390 444 A F H >X S+ 0 0 1 -4,-2.3 3,-1.1 2,-0.2 4,-0.6 0.955 105.2 52.6 -63.1 -55.9 31.9 21.4 37.8 391 445 A V H >< S+ 0 0 43 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.901 109.0 50.9 -43.8 -50.9 30.7 18.1 36.3 392 446 A Q H 3< S+ 0 0 140 -4,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.724 111.9 47.3 -67.8 -20.5 28.0 19.9 34.4 393 447 A M H << S+ 0 0 46 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.340 100.5 65.3-103.6 4.9 30.5 22.3 32.9 394 448 A M << 0 0 24 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 -0.058 360.0 360.0-107.5 28.4 33.0 19.6 32.0 395 449 A T 0 0 148 -3,-0.4 -2,-0.2 0, 0.0 -3,-0.1 0.318 360.0 360.0-142.9 360.0 30.4 18.3 29.5