1 GLY 1 999.9900 999.9900 999.9900 999.9900 .8897 .8897 .7056 .7063 .7059 .7672 2 SER 2 -3.7598 999.9900 -.0289 999.9900 .6705 -1.0394 .7062 .7027 .7042 -.3418 3 ASP 3 -.6293 -2.1980 999.9900 999.9900 .8104 -.6723 .7065 .6613 .6801 -.1298 4 PRO 4 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7060 .6167 .6539 .4057 5 GLY 5 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .7068 .6586 .6800 .4674 6 PRO 6 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7063 .6120 .6513 .3407 7 GLU 7 .8733 -.8169 999.9900 .3501 1.0761 .3707 .7068 .7034 .7048 .4821 8 ALA 8 .6496 999.9900 999.9900 999.9900 .7458 .6977 .7070 .7059 .7064 .7021 9 ALA 9 .7636 999.9900 999.9900 999.9900 .7458 .7547 .7067 .7043 .7053 .7301 10 ARG 10 .6041 -1.0788 999.9900 .1593 .8581 .1404 .7060 .7039 .7048 .3017 11 LEU 11 .9913 -3.3760 999.9900 999.9900 .9565 -.4761 .7061 .7023 .7039 -.0039 12 ARG 12 .6655 1.0644 999.9900 .5548 .8581 .7395 .7068 .7026 .7043 .7296 13 PHE 13 .6090 -2.0028 999.9900 999.9900 .8629 -.1770 .7068 .7037 .7050 .1759 14 ARG 14 .1485 .2231 999.9900 .1593 .6728 .2726 .7060 .7030 .7042 .3960 15 CYS 15 .1194 999.9900 .1296 999.9900 .4013 .2168 .7067 .7034 .7047 .4121 16 PHE 16 -1.4107 -.1636 999.9900 999.9900 .7573 -.2723 .7064 .7034 .7047 .1186 17 HIS 17 -.3517 -3.1083 999.9900 999.9900 .5967 -.9544 .7058 .7035 .7045 -.2908 18 TYR 18 .1557 -.3119 999.9900 999.9900 .5630 .1356 .7058 .7035 .7044 .3632 19 GLU 19 -.9070 -1.9198 999.9900 .3501 .3568 -.5300 .7066 .7028 .7043 -.1184 20 GLU 20 .0468 -2.8418 999.9900 .3501 .6899 -.4388 .7064 .7031 .7045 -.0576 21 ALA 21 .5799 999.9900 999.9900 999.9900 .8416 .7108 .7063 .7046 .7053 .7081 22 THR 22 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .7047 .7062 .7056 .1508 23 GLY 23 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .7067 .6595 .6805 .1564 24 PRO 24 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .7067 .6090 .6497 .1629 25 GLN 25 1.0064 -2.6982 999.9900 1.3059 .7898 .1010 .7053 .7043 .7047 .3022 26 GLU 26 .8171 -1.5476 999.9900 1.1588 1.0761 .3761 .7060 .7023 .7039 .4855 27 ALA 27 .7636 999.9900 999.9900 999.9900 .7458 .7547 .7068 .7054 .7060 .7304 28 LEU 28 .8182 .5655 999.9900 999.9900 .8331 .7389 .7062 .7030 .7043 .7252 29 ALA 29 .8241 999.9900 999.9900 999.9900 .7458 .7850 .7066 .7055 .7060 .7455 30 GLN 30 .9013 -1.7668 999.9900 1.3059 .5113 .2379 .7055 .7031 .7041 .3934 31 LEU 31 .6509 -.2454 999.9900 999.9900 .9565 .4540 .7059 .7039 .7047 .5543 32 ARG 32 1.1353 .8024 999.9900 .5548 .8581 .7811 .7063 .7031 .7044 .7593 33 GLU 33 .0765 -1.9198 999.9900 .3501 .6899 -.2008 .7060 .7037 .7046 .1011 34 LEU 34 -.1421 -.0413 999.9900 999.9900 .8331 .2165 .7049 .7019 .7032 .4113 35 CYS 35 .6740 999.9900 .1296 999.9900 .4013 .4016 .7069 .7043 .7054 .5232 36 ARG 36 .8469 -2.3766 999.9900 .1593 .8581 -.0706 .7070 .7024 .7043 .1509 37 GLN 37 .3572 -2.6982 999.9900 1.3059 .5113 -.1310 .7069 .7024 .7043 .1476 38 TRP 38 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .7047 .7029 .7036 -.4709 39 LEU 39 .0401 -.9158 999.9900 999.9900 .9565 .0269 .7058 .7024 .7038 .2978 40 ARG 40 -1.9585 -.0300 999.9900 1.0856 .8581 .2081 .7064 .6522 .6748 .3428 41 PRO 41 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7063 .6152 .6532 .4054 42 GLU 42 -.2127 -2.1111 999.9900 .3501 .6899 -.3210 .7063 .7032 .7045 .0209 43 VAL 43 -2.3613 999.9900 -1.0788 999.9900 .7810 -.8863 .7070 .7063 .7066 -.2492 44 ARG 44 -.7709 -.5982 999.9900 .6901 .6728 .1368 .7063 .7020 .7038 .2989 45 SER 45 -.7998 999.9900 .3727 999.9900 .6705 .0811 .7070 .7019 .7040 .3305 46 LYS 46 -.1232 .5211 999.9900 .6506 .7460 .4890 .7069 .7029 .7046 .5507 47 GLU 47 .8733 -1.0407 999.9900 -1.0323 .6899 -.1275 .7066 .7039 .7050 .1501 48 GLN 48 .1632 -1.6169 999.9900 4.2763 .5113 .8335 .7062 .7043 .7051 .7907 49 MET 49 .8064 -2.5481 999.9900 .9587 .5203 -.0657 .7065 .7030 .7045 .1911 50 LEU 50 .8182 -1.4996 999.9900 999.9900 .9565 .0917 .7061 .7024 .7040 .3367 51 GLU 51 .7157 -1.4588 999.9900 -1.0323 .6899 -.2714 .7062 .7028 .7042 .0539 52 LEU 52 .8786 -.3774 999.9900 999.9900 .8331 .4448 .7058 .7026 .7039 .5485 53 LEU 53 .8182 -3.3760 999.9900 999.9900 .8331 -.5749 .7070 .7036 .7050 -.0628 54 VAL 54 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .7061 .7053 .7056 .2610 55 LEU 55 .9913 -2.3037 999.9900 999.9900 .8331 -.1598 .7057 .7025 .7038 .1858 56 GLU 56 .7157 -1.9198 999.9900 .3501 .3568 -.1243 .7066 .7036 .7048 .1522 57 GLN 57 .6461 -2.6982 999.9900 1.3059 .7898 .0109 .7069 .7042 .7053 .2424 58 PHE 58 .7853 .8308 999.9900 999.9900 .7573 .7912 .7055 .7030 .7041 .7564 59 LEU 59 .4996 .5402 999.9900 999.9900 .8331 .6243 .7060 .7031 .7043 .6564 60 GLY 60 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .7064 .7058 .7061 .4910 61 ALA 61 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .7063 .7046 .7054 .4996 62 LEU 62 -2.6981 .3561 999.9900 999.9900 .8331 -.5030 .7065 .6548 .6763 -.0295 63 PRO 63 -.2966 999.9900 999.9900 999.9900 .9143 .3088 .7065 .6359 .6653 .4900 64 PRO 64 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7063 .6064 .6480 .3070 65 GLU 65 -1.3222 -.7281 999.9900 -1.0323 .6899 -.5982 .7068 .7031 .7047 -.1638 66 ILE 66 .6852 .8778 999.9900 999.9900 .6034 .7221 .7063 .7063 .7063 .7158 67 GLN 67 1.0064 .6315 999.9900 1.3059 .5636 .8769 .7057 .7033 .7043 .8194 68 ALA 68 .8001 999.9900 999.9900 999.9900 .8416 .8209 .7070 .7056 .7062 .7636 69 ARG 69 .8354 -.2494 999.9900 .5548 .8581 .5108 .7062 .7037 .7048 .5663 70 VAL 70 .8065 999.9900 .3968 999.9900 .7810 .6614 .7068 .7058 .7062 .6794 71 GLN 71 .7451 -1.6169 999.9900 1.3059 .5113 .2364 .7058 .7034 .7044 .3924 72 GLY 72 -.0858 999.9900 999.9900 999.9900 .8277 .3709 .7052 .7058 .7055 .5382 73 GLN 73 -2.2003 -1.7668 999.9900 2.7911 .7898 -.0965 .7066 .7038 .7050 .1707 74 ARG 74 -2.9267 -2.0954 999.9900 .1593 .8581 -.7691 .7068 .6573 .6779 -.3545 75 PRO 75 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7052 .6208 .6559 -.1352 76 GLY 76 .1996 999.9900 999.9900 999.9900 .8897 .5447 .7061 .7047 .7053 .6250 77 SER 77 -1.2373 999.9900 -.7153 999.9900 .6705 -.4274 .7063 .6499 .6734 .0148 78 PRO 78 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7064 .6107 .6506 -.1374 79 GLU 79 1.0761 .0026 999.9900 -1.0323 .3568 .1008 .7067 .7035 .7048 .3022 80 GLU 80 .8733 -.3559 999.9900 -1.0323 1.0761 .1403 .7057 .7028 .7040 .3283 81 ALA 81 .0579 999.9900 999.9900 999.9900 .7458 .4018 .7068 .7048 .7056 .5538 82 ALA 82 .2107 999.9900 999.9900 999.9900 .7458 .4783 .7064 .7056 .7059 .5921 83 ALA 83 -.4347 999.9900 999.9900 999.9900 .7458 .1556 .7056 .7048 .7051 .4304 84 LEU 84 .8182 -2.9612 999.9900 999.9900 .8331 -.4366 .7064 .7033 .7046 .0200 85 VAL 85 .5660 999.9900 -.2457 999.9900 .7810 .3671 .7049 .7065 .7059 .5025 86 ASP 86 1.3227 -1.7105 999.9900 999.9900 .8104 .1409 .7050 .7040 .7044 .3663 87 GLY 87 -.2363 999.9900 999.9900 999.9900 .8277 .2957 .7065 .7054 .7059 .5008 88 LEU 88 -.2410 .0414 999.9900 999.9900 .9565 .2523 .7065 .7025 .7042 .4332 89 ARG 89 .6041 -2.0954 999.9900 .9503 .8581 .2535 .7061 .7028 .7042 .3823 90 ARG 90 -2.9267 -2.3766 999.9900 .1593 .8581 -.8253 .7062 .7032 .7044 -.3882 91 GLU 91 -2.3953 -1.7714 999.9900 -1.0323 .6899 -1.1273 .7062 .6570 .6775 -.5243 92 PRO 92 -2.7614 999.9900 999.9900 999.9900 .4496 -1.1559 .7054 .6205 .6559 -.2465 93 GLY 93 -1.6434 999.9900 999.9900 999.9900 .8277 -.4079 .7066 .7059 .7062 .1492 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .7057 .5617 .6439 .6337 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .8277 .8277 .7042 .7064 .7054 .7461 96 SER 302 -3.7598 999.9900 -.0289 999.9900 .6705 -1.0394 .7070 .7024 .7043 -.3417 97 ASP 303 -.6293 -2.1980 999.9900 999.9900 .8104 -.6723 .7070 .6573 .6780 -.1305 98 PRO 304 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7054 .6167 .6537 .4055 99 GLY 305 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .7067 .6532 .6770 .4660 100 PRO 306 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .7050 .6116 .6505 .3403 101 GLU 307 .8733 -.8169 999.9900 .3501 1.0761 .3707 .7066 .7035 .7048 .4821 102 ALA 308 .6496 999.9900 999.9900 999.9900 .7458 .6977 .7064 .7060 .7062 .7020 103 ALA 309 .7636 999.9900 999.9900 999.9900 .8416 .8026 .7070 .7059 .7064 .7545 104 ARG 310 .6041 -1.0788 999.9900 .5548 .8581 .2986 .7063 .7030 .7044 .4146 105 LEU 311 .9913 -3.3760 999.9900 999.9900 .9565 -.4761 .7063 .7030 .7044 -.0038 106 ARG 312 .6655 1.0644 999.9900 .1593 .8581 .5813 .7066 .7032 .7046 .6166 107 PHE 313 .6090 -1.1947 999.9900 999.9900 .8629 .0924 .7063 .7034 .7046 .3374 108 ARG 314 -.4439 .2231 999.9900 .1593 .8581 .1912 .7060 .7029 .7042 .3378 109 CYS 315 .2727 999.9900 .1296 999.9900 .4013 .2679 .7066 .7034 .7047 .4427 110 PHE 316 -1.4107 -.1636 999.9900 999.9900 .7573 -.2723 .7060 .7025 .7040 .1183 111 HIS 317 -.3517 -2.0147 999.9900 999.9900 .5967 -.5899 .7052 .7043 .7047 -.0721 112 TYR 318 .0406 -.3119 999.9900 999.9900 .5630 .0972 .7064 .7030 .7044 .3402 113 GLU 319 -.9070 -1.9198 999.9900 1.1588 .6899 -.2445 .7059 .7032 .7043 .0718 114 GLU 320 .0468 -2.8418 999.9900 .3501 1.0761 -.3422 .7066 .7029 .7044 .0068 115 ALA 321 .5799 999.9900 999.9900 999.9900 .7458 .6629 .7068 .7053 .7059 .6845 116 THR 322 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .7058 .7062 .7060 .1510 117 GLY 323 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .7067 .6590 .6802 .1562 118 PRO 324 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .7069 .6045 .6472 .1618 119 GLN 325 1.0064 -2.6982 999.9900 1.3059 .5113 .0314 .7068 .7016 .7038 .2556 120 GLU 326 .5470 -1.5476 999.9900 -1.0323 1.0761 -.2392 .7062 .7029 .7043 .0754 121 ALA 327 .8241 999.9900 999.9900 999.9900 .7458 .7850 .7067 .7058 .7062 .7456 122 LEU 328 .8182 .1975 999.9900 999.9900 .8331 .6163 .7063 .7032 .7045 .6517 123 ALA 329 .8241 999.9900 999.9900 999.9900 .8416 .8329 .7065 .7052 .7057 .7694 124 GLN 330 .9013 -1.2219 999.9900 1.3059 .5113 .3741 .7067 .7025 .7042 .4843 125 LEU 331 .8442 -.2454 999.9900 999.9900 .9565 .5184 .7063 .7027 .7042 .5929 126 ARG 332 1.1353 .8024 999.9900 .7862 .6728 .8366 .7068 .7034 .7048 .7990 127 GLU 333 .0765 -1.9198 999.9900 -1.0323 .6899 -.5464 .7063 .7027 .7042 -.1294 128 LEU 334 -.1421 -.0413 999.9900 999.9900 .8331 .2165 .7066 .7029 .7044 .4118 129 CYS 335 .6740 999.9900 .1296 999.9900 .4013 .4016 .7060 .7043 .7050 .5230 130 ARG 336 .8469 -2.3766 999.9900 .1593 .8581 -.0706 .7067 .7032 .7047 .1510 131 GLN 337 .3572 -2.6982 999.9900 1.3059 .5113 -.1310 .7056 .7033 .7043 .1475 132 TRP 338 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .7055 .7036 .7044 -.4706 133 LEU 339 .0401 -.9158 999.9900 999.9900 .9565 .0269 .7063 .7027 .7042 .2979 134 ARG 340 -1.9585 -.0300 999.9900 1.3169 .8581 .3007 .7065 .6545 .6762 .4092 135 PRO 341 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .7068 .6201 .6562 .4067 136 GLU 342 -.2127 -2.1111 999.9900 .3501 .6899 -.3210 .7066 .7036 .7049 .0211 137 VAL 343 -2.3613 999.9900 .1416 999.9900 .7810 -.4796 .7064 .7063 .7063 -.0052 138 ARG 344 -.7709 -.5982 999.9900 .6901 .6728 .1368 .7068 .7040 .7052 .2992 139 SER 345 -.7998 999.9900 .3727 999.9900 .6705 .0811 .7068 .7031 .7046 .3307 140 LYS 346 -.1232 .5211 999.9900 .2868 .7460 .3435 .7069 .7019 .7040 .4466 141 GLU 347 .8733 -1.0407 999.9900 -1.0323 .3568 -.2107 .7065 .7032 .7046 .0945 142 GLN 348 .1632 -1.6169 999.9900 3.6599 .5113 .6794 .7065 .7032 .7046 .6879 143 MET 349 .8064 -2.5481 999.9900 .9587 .5203 -.0657 .7064 .7042 .7051 .1913 144 LEU 350 .8182 -1.4996 999.9900 999.9900 .9565 .0917 .7059 .7015 .7033 .3365 145 GLU 351 .7157 -1.4588 999.9900 .3501 .6899 .0742 .7063 .7025 .7041 .2843 146 LEU 352 .8786 -.3774 999.9900 999.9900 .8331 .4448 .7065 .7031 .7045 .5488 147 LEU 353 .8182 -3.3760 999.9900 999.9900 .8331 -.5749 .7066 .7024 .7042 -.0631 148 VAL 354 .1911 999.9900 -.5532 999.9900 .7810 .1397 .7052 .7060 .7057 .3660 149 LEU 355 .9913 -2.3037 999.9900 999.9900 .8331 -.1598 .7058 .7025 .7039 .1858 150 GLU 356 .7157 -1.9198 999.9900 -1.0323 .6899 -.3866 .7066 .7033 .7047 -.0228 151 GLN 357 .9013 -2.2325 999.9900 1.3059 .5113 .1215 .7067 .7033 .7047 .3160 152 PHE 358 .7853 .1483 999.9900 999.9900 .7573 .5637 .7062 .7021 .7038 .6199 153 LEU 359 .8475 -.0669 999.9900 999.9900 .8331 .5379 .7057 .7029 .7040 .6044 154 GLY 360 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .7061 .7051 .7056 .4908 155 ALA 361 -.8167 999.9900 999.9900 999.9900 .7458 -.0354 .7057 .7055 .7056 .3351 156 LEU 362 -2.6981 .3561 999.9900 999.9900 .8331 -.5030 .7067 .6545 .6763 -.0295 157 PRO 363 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .7064 .6411 .6683 .3752 158 PRO 364 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .7067 .6117 .6513 .3085 159 GLU 365 -1.3222 -.7281 999.9900 -1.0323 .6899 -.5982 .7069 .7035 .7049 -.1637 160 ILE 366 .6852 .8778 999.9900 999.9900 .6034 .7221 .7066 .7064 .7065 .7159 161 GLN 367 1.0064 .6315 999.9900 1.3059 .5636 .8769 .7063 .7037 .7048 .8196 162 ALA 368 .8001 999.9900 999.9900 999.9900 .8416 .8209 .7067 .7056 .7060 .7635 163 ARG 369 .8354 -.2494 999.9900 .5548 .8581 .5108 .7065 .7029 .7044 .5662 164 VAL 370 .8065 999.9900 .4980 999.9900 .7810 .6952 .7068 .7057 .7061 .6996 165 GLN 371 .7451 -1.6169 999.9900 1.3059 .5113 .2364 .7040 .7030 .7034 .3921 166 GLY 372 -.0858 999.9900 999.9900 999.9900 .8277 .3709 .7064 .7047 .7054 .5382 167 GLN 373 -2.2003 -1.7668 999.9900 1.3059 .5113 -.5375 .7064 .7030 .7044 -.1234 168 ARG 374 -2.9267 -2.0954 999.9900 .1593 .8581 -.7691 .7061 .6506 .6737 -.3555 169 PRO 375 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7055 .6154 .6530 -.1365 170 GLY 376 .1996 999.9900 999.9900 999.9900 .8897 .5447 .7061 .7058 .7059 .6253 171 SER 377 -1.2373 999.9900 -.7153 999.9900 .6705 -.4274 .7068 .6521 .6749 .0154 172 PRO 378 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .7054 .6179 .6543 -.1359 173 GLU 379 1.0761 .0026 999.9900 -1.0323 .6899 .1841 .7065 .7030 .7045 .3576 174 GLU 380 .8733 -.3559 999.9900 .3501 .6899 .3894 .7068 .7031 .7046 .4945 175 ALA 381 .0579 999.9900 999.9900 999.9900 .7458 .4018 .7065 .7053 .7058 .5539 176 ALA 382 .2107 999.9900 999.9900 999.9900 .7458 .4783 .7062 .7052 .7056 .5920 177 ALA 383 -.4347 999.9900 999.9900 999.9900 .7458 .1556 .7064 .7058 .7060 .4308 178 LEU 384 .8182 -2.9612 999.9900 999.9900 .8331 -.4366 .7063 .7031 .7044 .0199 179 VAL 385 .5660 999.9900 -.2457 999.9900 .7810 .3671 .7064 .7060 .7062 .5027 180 ASP 386 1.3227 -1.7105 999.9900 999.9900 .8104 .1409 .7053 .7036 .7043 .3663 181 GLY 387 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .7066 .7058 .7062 .4911 182 LEU 388 -.2410 .0414 999.9900 999.9900 .9565 .2523 .7064 .7028 .7043 .4332 183 ARG 389 .6041 -2.0954 999.9900 .1593 .8581 -.0629 .7066 .7029 .7045 .1564 184 ARG 390 -2.9267 -2.3766 999.9900 .1593 .8581 -.8253 .7065 .7031 .7045 -.3881 185 GLU 391 -2.3953 -1.7714 999.9900 -1.0323 .6899 -1.1273 .7066 .6513 .6744 -.5252 186 PRO 392 -2.7614 999.9900 999.9900 999.9900 .4496 -1.1559 .7067 .6219 .6573 -.2458 187 GLY 393 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .7060 .7052 .7055 .1390 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .7064 .7050 .7057 .7057 Means: -.1223 -1.2078 -.2076 .4819 .7250 .0291 .7063 .6909 .6973 .2885 2.00 analyzed_13