1 GLY 1 999.9900 999.9900 999.9900 999.9900 .6270 .6270 -.0499 .6458 .2979 .4076 2 SER 2 -1.1635 999.9900 -.7153 999.9900 .9098 -.3230 .0743 .6608 .4164 -.0468 3 ASP 3 -.9297 -.0652 999.9900 999.9900 -.1266 -.3738 -.1759 -.2977 -.2469 -.3190 4 PRO 4 .4216 999.9900 999.9900 999.9900 .9143 .6679 .4420 .4496 .4464 .5569 5 GLY 5 -1.2283 999.9900 999.9900 999.9900 .4101 -.4091 .3542 .4546 .4099 -.0024 6 PRO 6 .6171 999.9900 999.9900 999.9900 .4949 .5560 .6594 .4745 .5515 .5615 7 GLU 7 .8733 -.6497 999.9900 .3501 .7127 .3216 .5898 .6035 .5978 .4133 8 ALA 8 .9879 999.9900 999.9900 999.9900 .4999 .7439 .5448 .6419 .6015 .6686 9 ALA 9 .7636 999.9900 999.9900 999.9900 .6708 .7172 .4149 .6385 .5453 .6219 10 ARG 10 1.1353 .7238 999.9900 .1593 .6017 .5559 .5617 .2126 .3581 .5077 11 LEU 11 .9913 .3419 999.9900 999.9900 .0933 .4755 -.1138 .2170 .0792 .3059 12 ARG 12 1.1353 1.0644 999.9900 .1593 .4407 .5918 .5475 .6213 .5905 .5897 13 PHE 13 1.1962 .1483 999.9900 999.9900 -.0075 .4457 .3739 -.2734 -.0037 .2875 14 ARG 14 .2784 -.8531 999.9900 .1593 .7064 .0901 .4797 .5838 .5404 .2163 15 CYS 15 .1005 999.9900 .1296 999.9900 1.0610 .4304 .6299 .6810 .6597 .5204 16 PHE 16 -.8715 -.3078 999.9900 999.9900 .3416 -.2792 .1105 .6437 .4215 -.0167 17 HIS 17 -.3517 -3.1083 999.9900 999.9900 -.0263 -1.1621 -1.1004 .0640 -.4212 -.9046 18 TYR 18 -.5013 -.2298 999.9900 999.9900 .7784 .0157 -1.9254 -.1867 -.9111 -.4130 19 GLU 19 -.8041 -.6022 999.9900 -1.0323 .5390 -.4749 -1.2844 .3098 -.3544 -.4790 20 GLU 20 .4426 1.0525 999.9900 -1.0323 .3568 .2049 .6177 .4494 .5195 .3144 21 ALA 21 .9879 999.9900 999.9900 999.9900 .8018 .8948 .6389 .4934 .5540 .7305 22 THR 22 -.1023 999.9900 -.8810 999.9900 .7246 -.0863 -.0592 .2537 .1233 -.0128 23 GLY 23 -1.0150 999.9900 999.9900 999.9900 -.3938 -.7044 .4369 .2599 .3386 -.1780 24 PRO 24 .4698 999.9900 999.9900 999.9900 .4496 .4597 .4389 .4888 .4680 .4618 25 GLN 25 .9013 -1.3908 999.9900 1.3059 -.0576 .1897 .1837 .0583 .1106 .1668 26 GLU 26 .6833 .8034 999.9900 -1.0323 -.9305 -.1190 .6021 .4717 .5260 .0996 27 ALA 27 .7636 999.9900 999.9900 999.9900 .0520 .4078 .5406 .6315 .5936 .4969 28 LEU 28 .8786 .8847 999.9900 999.9900 .8331 .8655 .5126 .5422 .5299 .7303 29 ALA 29 .6648 999.9900 999.9900 999.9900 .6227 .6437 .5066 .6593 .5956 .6133 30 GLN 30 1.2265 1.1815 999.9900 1.3059 .1188 .9582 .1519 .3547 .2702 .7232 31 LEU 31 .9913 .9108 999.9900 999.9900 .7348 .8789 .5547 .5007 .5232 .7385 32 ARG 32 .8469 -.5468 999.9900 .1593 -1.7309 -.2224 .0822 -.8458 -.4591 -.2680 33 GLU 33 .8733 .6046 999.9900 .3501 -.1867 .4103 .5895 .3791 .4668 .4350 34 LEU 34 .6296 .8710 999.9900 999.9900 .2713 .5906 .6819 .5134 .5836 .5934 35 CYS 35 1.0802 999.9900 .1296 999.9900 .7355 .6484 .3364 .5854 .4816 .5734 36 ARG 36 .8469 .3358 999.9900 .1593 .3956 .3794 -1.2563 .4794 -.2438 .1600 37 GLN 37 .0311 1.1250 999.9900 1.3059 .5636 .7564 .2420 .4633 .3711 .6218 38 TRP 38 -1.0458 -1.6686 999.9900 999.9900 -.1614 -.9586 -.0117 -.3472 -.2074 -.6469 39 LEU 39 -.8032 -.0645 999.9900 999.9900 -.6084 -.4920 .4973 .2797 .3703 -.1398 40 ARG 40 -2.5097 .7317 999.9900 .6901 -.5739 -.1944 .5217 .1297 .2930 -.0458 41 PRO 41 -.1497 999.9900 999.9900 999.9900 .1827 .0165 .3066 .5944 .4745 .2335 42 GLU 42 .1025 -.6255 999.9900 -1.0323 .0339 -.3804 .5025 .6209 .5716 -.0663 43 VAL 43 -1.7692 999.9900 -.5532 999.9900 .7394 -.5276 .3976 .5602 .4924 -.1250 44 ARG 44 -.4840 1.1781 999.9900 1.0005 -.3418 .4707 -1.0035 .4505 -.1553 .2572 45 SER 45 -.4961 999.9900 -.7153 999.9900 .1994 -.3373 .2349 .2778 .2599 -.0999 46 LYS 46 .2805 1.1634 999.9900 .5368 .3573 .5750 .3720 .1717 .2551 .4884 47 GLU 47 .7157 .7809 999.9900 -1.0323 .5923 .2641 .4979 -.0087 .2024 .2576 48 GLN 48 .9013 .5350 999.9900 1.3059 .1963 .7346 .5788 .6763 .6356 .6989 49 MET 49 1.1168 .8879 999.9900 .9587 -.8385 .5312 -.0109 .5949 .3425 .4515 50 LEU 50 .2355 -1.4262 999.9900 999.9900 -.9806 -.7238 .1318 .3949 .2853 -.3289 51 GLU 51 1.0761 .4305 999.9900 -1.0323 .5112 .2464 .6749 .6548 .6632 .3859 52 LEU 52 1.1349 .8730 999.9900 999.9900 .7949 .9343 .3684 .6994 .5615 .7741 53 LEU 53 .6509 -1.7554 999.9900 999.9900 -.9806 -.6950 -.2415 -.2017 -.2183 -.5057 54 VAL 54 .9834 999.9900 .1416 999.9900 .8960 .6737 .5437 .1987 .3425 .5527 55 LEU 55 .8182 .5563 999.9900 999.9900 .2381 .5376 .5851 .3546 .4506 .5105 56 GLU 56 .7157 -.3559 999.9900 -1.0323 .4526 -.0550 .4863 .5555 .5266 .1370 57 GLN 57 .6461 -2.6982 999.9900 1.3059 -.1596 -.2265 .6010 .4644 .5213 .0266 58 PHE 58 1.0502 .8308 999.9900 999.9900 .2172 .6994 .4929 .5053 .5001 .6193 59 LEU 59 .8475 .5402 999.9900 999.9900 .3942 .5939 .3959 .4303 .4160 .5216 60 GLY 60 -.4135 999.9900 999.9900 999.9900 -.1733 -.2934 .6701 .6876 .6798 .1927 61 ALA 61 .2107 999.9900 999.9900 999.9900 -.7624 -.2759 .6318 .5983 .6122 .1696 62 LEU 62 -.3571 .9108 999.9900 999.9900 .0933 .2156 .6160 .1613 .3507 .2848 63 PRO 63 .4197 999.9900 999.9900 999.9900 .5793 .4995 .3507 .1122 .2116 .3655 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 .2426 -.6628 .5966 .4995 .5400 -.0574 65 GLU 65 .8733 -.1645 999.9900 -1.0323 .0814 -.0605 .5005 .6023 .5599 .1434 66 ILE 66 .6852 .6227 999.9900 999.9900 .4089 .5723 .4212 .5806 .5142 .5437 67 GLN 67 1.0381 .6816 999.9900 1.3059 .5113 .8842 .5553 .6178 .5918 .7850 68 ALA 68 .9879 999.9900 999.9900 999.9900 .6390 .8134 .6708 .6876 .6806 .7463 69 ARG 69 1.0056 .1897 999.9900 1.2208 .4837 .8241 .6136 .6089 .6108 .7633 70 VAL 70 .8065 999.9900 .6672 999.9900 .7394 .7377 .1640 .5156 .3691 .5785 71 GLN 71 .1632 -1.9601 999.9900 1.3059 -1.6155 -.5266 .2065 -.4152 -.1561 -.3859 72 GLY 72 .2494 999.9900 999.9900 999.9900 .4303 .3399 -.2714 .6130 .2199 .2553 73 GLN 73 -3.1236 -.5355 999.9900 1.3059 -2.2865 -1.1599 .0878 .1111 .1014 -.7402 74 ARG 74 -2.9267 -2.8571 999.9900 .7862 -.2445 -.8912 .2304 -1.0618 -.5234 -.7554 75 PRO 75 .4216 999.9900 999.9900 999.9900 .7944 .6080 .5294 .5766 .5569 .5805 76 GLY 76 .8709 999.9900 999.9900 999.9900 .0351 .4530 .3819 .6389 .5247 .4817 77 SER 77 .0135 999.9900 -.7153 999.9900 -.1819 -.2946 .5056 .5299 .5198 .0303 78 PRO 78 -.8433 999.9900 999.9900 999.9900 .2426 -.3003 .4904 .4873 .4886 .0943 79 GLU 79 .6833 1.1195 999.9900 -1.0323 -1.2865 -.1290 .6346 .3700 .4802 .0814 80 GLU 80 .8733 -.4584 999.9900 1.1588 .2101 .4459 .1161 .5174 .3502 .4029 81 ALA 81 .9879 999.9900 999.9900 999.9900 .7881 .8880 .6293 .6266 .6277 .7580 82 ALA 82 .5799 999.9900 999.9900 999.9900 .7881 .6840 -.2022 .5825 .2555 .4371 83 ALA 83 .3637 999.9900 999.9900 999.9900 .6708 .5172 .1701 .4335 .3238 .4095 84 LEU 84 .8442 -3.3760 999.9900 999.9900 .7753 -.5855 .1833 -1.2115 -.6304 -.5569 85 VAL 85 .3707 999.9900 .1416 999.9900 -.1376 .1249 .6845 .3509 .4899 .2820 86 ASP 86 1.0149 -.2599 999.9900 999.9900 .1337 .2963 .4821 .5440 .5182 .3830 87 GLY 87 .5723 999.9900 999.9900 999.9900 .2296 .4009 .5854 .6817 .6389 .5172 88 LEU 88 -.2213 .8710 999.9900 999.9900 -.0758 .1913 .5903 .5621 .5739 .3453 89 ARG 89 -1.0952 -.0184 999.9900 .1593 .4837 -.0623 .2751 .3614 .3254 .0464 90 ARG 90 -1.4318 1.0858 999.9900 .5548 .7064 .2940 .3579 .0564 .1820 .2692 91 GLU 91 -1.9096 .8793 999.9900 -1.0323 -1.2865 -.8373 .3251 .4889 .4206 -.4225 92 PRO 92 -3.0630 999.9900 999.9900 999.9900 .2426 -1.4102 .0208 .6009 .3592 -.5497 93 GLY 93 -.0858 999.9900 999.9900 999.9900 .0351 -.0253 .3035 .6860 .5160 .2347 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .4045 .4734 .4340 .4389 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .5429 .5429 -.1219 .5992 .2901 .3400 96 SER 302 -1.1635 999.9900 .3727 999.9900 .8558 .0216 .3381 .6352 .5114 .2076 97 ASP 303 -.0745 -1.1646 999.9900 999.9900 .7118 -.1757 .4699 .3841 .4199 .0654 98 PRO 304 .3509 999.9900 999.9900 999.9900 .6188 .4848 .4616 .5873 .5349 .5046 99 GLY 305 -2.1575 999.9900 999.9900 999.9900 .0036 -1.0769 -.1042 .4493 .2033 -.4522 100 PRO 306 .6171 999.9900 999.9900 999.9900 .2989 .4580 .6707 .2416 .4204 .4571 101 GLU 307 1.0761 -.7859 999.9900 .3501 .6899 .3325 .5470 .6019 .5790 .4132 102 ALA 308 .6496 999.9900 999.9900 999.9900 .6227 .6362 .6107 .6442 .6303 .6318 103 ALA 309 .9879 999.9900 999.9900 999.9900 .3365 .6622 .6197 .6732 .6509 .6543 104 ARG 310 .8469 .7238 999.9900 .5548 .7064 .6773 .6386 .3443 .4669 .6242 105 LEU 311 .9913 .4002 999.9900 999.9900 .0933 .4949 -.1900 .4539 .1856 .3497 106 ARG 312 .9011 1.0644 999.9900 .1593 .2455 .5059 .4667 .3976 .4264 .4849 107 PHE 313 1.1962 .1483 999.9900 999.9900 .6382 .6609 .4032 -.2019 .0502 .4368 108 ARG 314 -.3973 -.0184 999.9900 1.3169 -.4506 .3535 .4073 .4266 .4186 .3716 109 CYS 315 -.2798 999.9900 1.5962 999.9900 .5249 .6138 .5467 .5754 .5635 .5927 110 PHE 316 -.5560 .7639 999.9900 999.9900 .3416 .1831 -.3059 .6622 .2588 .1811 111 HIS 317 -.4447 -3.1083 999.9900 999.9900 -.3908 -1.3146 -.9575 .1454 -.3142 -.9512 112 TYR 318 -.5013 -.5584 999.9900 999.9900 .7784 -.0938 -1.5956 -.3089 -.8450 -.4372 113 GLU 319 -.7635 -.6022 999.9900 -1.0323 .1264 -.5679 -.9358 .2857 -.2232 -.4869 114 GLU 320 .6116 1.0525 999.9900 -1.0323 .1264 .1895 .6325 .4215 .5094 .3020 115 ALA 321 .9879 999.9900 999.9900 999.9900 -.0434 .4722 .6701 .4782 .5581 .5232 116 THR 322 -.1023 999.9900 -.8810 999.9900 .6695 -.1046 .1558 .4329 .3175 .0550 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 -.0631 -.5390 .4321 .4445 .4390 -.0504 118 PRO 324 .4216 999.9900 999.9900 999.9900 .4949 .4582 .4485 .4775 .4654 .4606 119 GLN 325 1.0381 -1.3908 999.9900 1.3059 .6605 .4034 .2977 .1873 .2333 .3498 120 GLU 326 .6833 .5296 999.9900 -1.0323 -1.2865 -.2765 .5495 .2901 .3982 -.0444 121 ALA 327 .9879 999.9900 999.9900 999.9900 .4419 .7149 .6847 .6682 .6751 .6957 122 LEU 328 1.1349 .9108 999.9900 999.9900 .3942 .8133 .4609 .5861 .5339 .6973 123 ALA 329 .5799 999.9900 999.9900 999.9900 .4419 .5109 .2481 .5908 .4480 .4652 124 GLN 330 .1030 1.1815 999.9900 1.3059 .6605 .8127 -.0921 .4118 .2018 .5951 125 LEU 331 .9913 .6236 999.9900 999.9900 .8331 .8160 .5127 .4365 .4683 .6794 126 ARG 332 .8469 -.1588 999.9900 .6901 -1.3564 .1424 -.2320 -.7583 -.5390 -.0398 127 GLU 333 .8733 .4305 999.9900 -1.0323 .2101 .1204 .4799 .2556 .3491 .2028 128 LEU 334 .8442 .8710 999.9900 999.9900 .6926 .8026 .5493 .5741 .5638 .7062 129 CYS 335 1.0621 999.9900 .1296 999.9900 .4013 .5310 .5196 .4624 .4863 .5150 130 ARG 336 .8469 -2.3766 999.9900 .1593 -.2445 -.2911 .2940 -.2077 .0014 -.1956 131 GLN 337 -.1264 -.5630 999.9900 1.3059 .2680 .2211 .4824 .3067 .3799 .2789 132 TRP 338 -1.0458 -3.3859 999.9900 999.9900 .2792 -1.3842 -.1724 .1131 -.0059 -.8424 133 LEU 339 -.8032 -.0234 999.9900 999.9900 .6926 -.0447 .6752 .4358 .5356 .1954 134 ARG 340 -2.9267 1.0858 999.9900 1.0005 .7064 .1733 .6466 -.1890 .1592 .1892 135 PRO 341 .0709 999.9900 999.9900 999.9900 .4021 .2365 .3930 .6440 .5394 .3775 136 GLU 342 .1025 -.3559 999.9900 -1.0323 -1.0906 -.5941 .5811 .6766 .6368 -.1864 137 VAL 343 -1.3532 999.9900 -.5532 999.9900 .5258 -.4602 .4120 .5698 .5040 -.0798 138 ARG 344 -.5614 1.1781 999.9900 .1593 .6017 .3074 -.6383 .3422 -.0664 .1773 139 SER 345 -.4961 999.9900 -.7153 999.9900 .3425 -.2897 .3965 .3412 .3643 -.0263 140 LYS 346 1.0429 1.1634 999.9900 .3240 -.4103 .4888 .2539 .2676 .2619 .4236 141 GLU 347 .8604 .7809 999.9900 -1.0323 .6424 .3128 .5968 .4034 .4840 .3753 142 GLN 348 .7370 .5350 999.9900 1.3059 .5636 .7854 .5564 .6823 .6299 .7300 143 MET 349 1.1168 .8879 999.9900 .9587 -1.2625 .4252 -.0085 .6381 .3687 .3884 144 LEU 350 .2355 -1.8410 999.9900 999.9900 .6708 -.3116 .0261 .3954 .2415 -.1026 145 GLU 351 .1185 .3905 999.9900 -1.0323 .7127 .0473 .5517 .4396 .4863 .1968 146 LEU 352 .8786 .8710 999.9900 999.9900 .7753 .8416 .2540 .6597 .4907 .6877 147 LEU 353 .6509 -1.7554 999.9900 999.9900 -1.2350 -.7798 -.0195 -.3244 -.1973 -.5367 148 VAL 354 .9834 999.9900 .8055 999.9900 .1768 .6552 .5133 .3023 .3902 .5562 149 LEU 355 .8182 .5563 999.9900 999.9900 .9730 .7825 .5841 .3139 .4265 .6491 150 GLU 356 .1185 -.3719 999.9900 1.1588 .2101 .2789 .4530 .5764 .5250 .3575 151 GLN 357 .6461 -2.6982 999.9900 1.3059 .1188 -.1569 .4508 .4665 .4599 .0483 152 PHE 358 1.2168 .8308 999.9900 999.9900 .5949 .8808 .5855 .6108 .6003 .7678 153 LEU 359 1.1349 .5402 999.9900 999.9900 .9565 .8772 .3955 .4205 .4101 .6895 154 GLY 360 -.4135 999.9900 999.9900 999.9900 .3466 -.0335 .5504 .5993 .5775 .2707 155 ALA 361 .8001 999.9900 999.9900 999.9900 -.7624 .0188 .6668 .6479 .6558 .3381 156 LEU 362 -.3571 .8710 999.9900 999.9900 .2381 .2507 .5912 -.0428 .2214 .2601 157 PRO 363 .4197 999.9900 999.9900 999.9900 .6931 .5564 .5467 .1550 .3182 .4536 158 PRO 364 -1.2813 999.9900 999.9900 999.9900 .9143 -.1835 .4987 .5187 .5104 .1626 159 GLU 365 .5470 -.3402 999.9900 -1.0323 .7127 -.0282 .4336 .5780 .5178 .1498 160 ILE 366 .6852 .6227 999.9900 999.9900 1.0081 .7720 .5156 .5787 .5524 .6821 161 GLN 367 1.2265 .6816 999.9900 1.3059 .6605 .9686 .6477 .5918 .6151 .8523 162 ALA 368 .8001 999.9900 999.9900 999.9900 .6390 .7195 .5903 .6590 .6304 .6721 163 ARG 369 .6655 .1897 999.9900 1.0005 -2.3710 .0970 .5023 .6322 .5781 .2314 164 VAL 370 -.1540 999.9900 .8055 999.9900 -1.3636 -.2374 .4347 .1641 .2768 -.0227 165 GLN 371 .1632 -1.0287 999.9900 1.3059 .1188 .1398 .0261 .2245 .1418 .1350 166 GLY 372 .5723 999.9900 999.9900 999.9900 -.9224 -.1751 .4259 .5794 .5111 .1638 167 GLN 373 -3.1236 -.7562 999.9900 1.3059 -2.2865 -1.2151 .2506 .1257 .1778 -.7474 168 ARG 374 -2.9267 -2.8571 999.9900 .1593 .4837 -.9963 .4289 -.8053 -.2911 -.7654 169 PRO 375 .0709 999.9900 999.9900 999.9900 .1827 .1268 .4520 .4629 .4583 .2921 170 GLY 376 .6263 999.9900 999.9900 999.9900 -.8367 -.1052 .1915 .6755 .4604 .1642 171 SER 377 -.2734 999.9900 .3727 999.9900 .0747 .0580 .3965 .5399 .4802 .2221 172 PRO 378 .4216 999.9900 999.9900 999.9900 -.8366 -.2075 .5321 .2397 .3615 .0892 173 GLU 379 .6833 -1.3104 999.9900 .3501 .4526 .0439 .5588 .5560 .5572 .2151 174 GLU 380 .5470 -.3559 999.9900 .3501 -1.0906 -.1373 -.2604 .3525 .0972 -.0762 175 ALA 381 .8241 999.9900 999.9900 999.9900 .3801 .6021 .6847 .6536 .6666 .6357 176 ALA 382 .9879 999.9900 999.9900 999.9900 .2908 .6393 -.3299 .6461 .2394 .3987 177 ALA 383 .5364 999.9900 999.9900 999.9900 .3365 .4365 .5202 .6173 .5768 .5026 178 LEU 384 .9913 .2345 999.9900 999.9900 -.3368 .2963 .4021 -.0270 .1518 .2528 179 VAL 385 .3707 999.9900 -1.0788 999.9900 -.3781 -.3621 .6072 .3598 .4629 -.0238 180 ASP 386 .8349 -.5059 999.9900 999.9900 -.2530 .0253 .5326 .5705 .5547 .2358 181 GLY 387 -1.5291 999.9900 999.9900 999.9900 .2296 -.6497 .5351 .6810 .6162 -.0208 182 LEU 388 .2872 .8710 999.9900 999.9900 .0933 .4172 .3254 .5294 .4444 .4213 183 ARG 389 -2.9267 -.0184 999.9900 .9503 .6728 -.0743 .4249 .5231 .4822 .0823 184 ARG 390 -1.6758 1.1699 999.9900 .5548 -.5739 .0060 -.2766 -1.1610 -.7925 -.2011 185 GLU 391 -.6478 1.0486 999.9900 -1.0323 .0814 -.1375 .1439 -.5866 -.2822 -.1654 186 PRO 392 -3.8843 999.9900 999.9900 999.9900 .9143 -1.4850 .2925 .3986 .3544 -.5697 187 GLY 393 -3.4864 999.9900 999.9900 999.9900 .2296 -1.6284 .3674 .5797 .4853 -.5774 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .4203 .5257 .4730 .4730 Means: .1133 -.0552 -.0758 .3567 .1653 .1291 .3063 .3658 .3409 .2106 2.00 refined_14