1 GLY 1 999.9900 999.9900 999.9900 999.9900 .2782 .2782 .0025 .6272 .3149 .3027 2 SER 2 -.2734 999.9900 -.0289 999.9900 .3425 .0134 -.1898 .5872 .2635 .0875 3 ASP 3 -.3819 -1.3328 999.9900 999.9900 .1786 -.5120 .5543 .4471 .4918 -.1069 4 PRO 4 .6171 999.9900 999.9900 999.9900 .8563 .7367 .4177 .5377 .4877 .6072 5 GLY 5 -1.0990 999.9900 999.9900 999.9900 .8016 -.1487 .3495 .4441 .4021 .1240 6 PRO 6 .6171 999.9900 999.9900 999.9900 .1827 .3999 .4607 .5662 .5223 .4567 7 GLU 7 1.0761 -.3402 999.9900 -1.0323 .5112 .0537 .5891 .5356 .5579 .2232 8 ALA 8 .5364 999.9900 999.9900 999.9900 -.4068 .0648 .5959 .6364 .6195 .3405 9 ALA 9 .7636 999.9900 999.9900 999.9900 -.2278 .2679 .6220 .6514 .6391 .4523 10 ARG 10 .8469 .5439 999.9900 .1593 .4407 .4300 .5427 .6135 .5840 .4723 11 LEU 11 .9913 .3419 999.9900 999.9900 .4774 .6035 -.4355 .3693 .0340 .3489 12 ARG 12 1.0056 1.0644 999.9900 1.7872 .3956 1.2080 .4824 .3416 .4003 .9806 13 PHE 13 1.2230 .3192 999.9900 999.9900 .5949 .7124 .4319 -.1808 .0745 .4776 14 ARG 14 .2784 -.2494 999.9900 .7862 .4407 .4084 .5268 .4467 .4800 .4308 15 CYS 15 .1379 999.9900 .1296 999.9900 .5249 .2641 .5718 .6639 .6255 .4056 16 PHE 16 -.8715 -.1636 999.9900 999.9900 .5495 -.1619 .0022 .6348 .3712 .0303 17 HIS 17 -.3517 -.0777 999.9900 999.9900 -1.0138 -.4810 -1.2777 .2923 -.3619 -.4857 18 TYR 18 -.5013 -.5584 999.9900 999.9900 .6556 -.1347 -1.1477 -.1665 -.5754 -.3437 19 GLU 19 -.9070 -1.3804 999.9900 -1.0323 -1.0906 -1.1026 -.0662 -.2713 -.1859 -.7913 20 GLU 20 .6116 1.0525 999.9900 -1.0323 .3568 .2471 .3157 .4645 .4025 .2948 21 ALA 21 .5799 999.9900 999.9900 999.9900 -1.3426 -.3813 -.6130 .0935 -.2008 -.3205 22 THR 22 -.1023 999.9900 .6346 999.9900 .4476 .3266 -.6012 -1.5445 -1.1515 -.2332 23 GLY 23 -2.6716 999.9900 999.9900 999.9900 .4303 -1.1206 .4807 .3766 .4229 -.3460 24 PRO 24 .4698 999.9900 999.9900 999.9900 .4021 .4359 .5412 .6342 .5954 .5118 25 GLN 25 .9013 -1.3908 999.9900 1.3059 .6605 .3692 .4665 .2545 .3429 .3663 26 GLU 26 .8171 .8332 999.9900 -1.0323 .2101 .2070 .5409 .6702 .6163 .3399 27 ALA 27 .8241 999.9900 999.9900 999.9900 -.4068 .2087 .6841 .6672 .6743 .4422 28 LEU 28 1.1349 .8847 999.9900 999.9900 .9730 .9975 .5271 .5400 .5346 .8119 29 ALA 29 .8241 999.9900 999.9900 999.9900 .0212 .4227 .3719 .5978 .5037 .4538 30 GLN 30 .6461 -2.6982 999.9900 1.3059 .5636 -.0456 .4340 .4897 .4665 .1235 31 LEU 31 .9913 .9108 999.9900 999.9900 .3346 .7456 .5486 .4948 .5172 .6560 32 ARG 32 .8469 -.3536 999.9900 .1593 .4837 .2591 .3213 .2367 .2720 .2648 33 GLU 33 .5470 .7809 999.9900 -1.0323 .0339 .0824 .4974 .5759 .5432 .2338 34 LEU 34 1.1349 .8730 999.9900 999.9900 .7348 .9142 .5512 .5779 .5668 .7743 35 CYS 35 1.0802 999.9900 .1296 999.9900 .2612 .4903 .5724 .4971 .5284 .5081 36 ARG 36 .6655 -2.8571 999.9900 .1593 -.4506 -.4647 .1879 -.1352 -.0006 -.3244 37 GLN 37 .0311 .5350 999.9900 1.3059 .3348 .5517 -.0776 .4301 .2186 .4265 38 TRP 38 -2.7772 -1.6686 999.9900 999.9900 .8342 -1.2038 -.1101 -.1579 -.1380 -.7759 39 LEU 39 .8442 -.0645 999.9900 999.9900 -.6084 .0571 .6362 .0876 .3162 .1790 40 ARG 40 -1.7561 .6306 999.9900 .6901 -.4506 -.0392 .5353 .1225 .2945 .0660 41 PRO 41 .4523 999.9900 999.9900 999.9900 -.4005 .0259 .4249 .4555 .4427 .2330 42 GLU 42 .1025 .7809 999.9900 -1.0323 .0339 -.0288 .5233 .5158 .5189 .1540 43 VAL 43 -1.6424 999.9900 .1416 999.9900 .6734 -.2758 .4532 .5149 .4892 .0281 44 ARG 44 -.5614 1.1781 999.9900 1.2208 .2455 .6608 -.0564 .5755 .3122 .5461 45 SER 45 -.9779 999.9900 .3727 999.9900 .3425 -.0876 .1307 .6131 .4121 .0962 46 LYS 46 .2805 -2.9005 999.9900 -.4035 -.6710 -.8196 -.3098 .4357 .1251 -.5674 47 GLU 47 .6116 -2.8418 999.9900 -1.0323 -.7952 -1.0144 .3685 -.5029 -.1398 -.6987 48 GLN 48 1.2265 .4956 999.9900 1.3059 -.2736 .6886 .6364 .6123 .6223 .6672 49 MET 49 1.1168 .8879 999.9900 .9587 .0476 .7528 .2216 .5601 .4190 .6321 50 LEU 50 .2355 -1.8410 999.9900 999.9900 -.9806 -.8620 -.0923 .4549 .2269 -.4447 51 GLU 51 .8733 -.0067 999.9900 -1.0323 .5112 .0864 .6821 .6771 .6792 .2841 52 LEU 52 .8786 .8730 999.9900 999.9900 .4774 .7430 .5454 .6979 .6343 .6944 53 LEU 53 -.0169 -.6141 999.9900 999.9900 -.5333 -.3881 .0429 -.3146 -.1656 -.2872 54 VAL 54 1.0462 999.9900 .3968 999.9900 .2505 .5645 .2439 .5213 .4057 .4917 55 LEU 55 .8182 -2.3037 999.9900 999.9900 .4774 -.3360 .2004 .3579 .2923 -.0899 56 GLU 56 .7157 .4305 999.9900 -1.0323 .5390 .1632 .6236 .5740 .5947 .3084 57 GLN 57 .6461 -2.6982 999.9900 1.3059 -1.6155 -.5904 .5073 .5440 .5287 -.2184 58 PHE 58 1.2168 .8308 999.9900 999.9900 .5949 .8808 .6319 .6065 .6171 .7762 59 LEU 59 1.1349 -.9358 999.9900 999.9900 .3346 .1779 .3906 -.0382 .1405 .1772 60 GLY 60 -.2363 999.9900 999.9900 999.9900 .5069 .1353 .6342 .6086 .6200 .3783 61 ALA 61 .5364 999.9900 999.9900 999.9900 -.1129 .2118 .6283 .6297 .6291 .4204 62 LEU 62 -.5813 .9108 999.9900 999.9900 -.0308 .0996 .5991 .0651 .2876 .1926 63 PRO 63 .4197 999.9900 999.9900 999.9900 .7281 .5739 .5302 .1452 .3056 .4558 64 PRO 64 -1.5682 999.9900 999.9900 999.9900 .4949 -.5367 .4903 .5689 .5362 -.0035 65 GLU 65 .8733 -.3402 999.9900 -1.0323 .6899 .0477 .5899 .5999 .5958 .2301 66 ILE 66 .6852 .6227 999.9900 999.9900 .3195 .5425 .5539 .5784 .5682 .5520 67 GLN 67 1.0064 .6816 999.9900 1.3059 .6605 .9136 .6166 .6047 .6096 .8126 68 ALA 68 .9879 999.9900 999.9900 999.9900 .4419 .7149 .6804 .6775 .6787 .6969 69 ARG 69 1.0056 .3075 999.9900 .7862 .4837 .6738 .6043 .6093 .6072 .6547 70 VAL 70 .9834 999.9900 .8662 999.9900 .6503 .8333 .4621 .5662 .5229 .7056 71 GLN 71 .7451 -1.3011 999.9900 1.3059 .6605 .3526 .5960 .5350 .5604 .4236 72 GLY 72 .5723 999.9900 999.9900 999.9900 .8897 .7310 .5535 .6591 .6122 .6687 73 GLN 73 -1.4685 .4898 999.9900 1.3059 -.4029 -.0189 .5532 .4520 .4942 .1549 74 ARG 74 -2.9267 .3075 999.9900 .5548 .7064 -.1606 .6130 .0539 .2868 -.0195 75 PRO 75 -.8433 999.9900 999.9900 999.9900 .1827 -.3303 .3098 .4059 .3659 .0138 76 GLY 76 .9055 999.9900 999.9900 999.9900 .4101 .6578 .5788 .5231 .5478 .6044 77 SER 77 .0374 999.9900 -.0289 999.9900 -.2435 -.0783 .4472 .5172 .4881 .1459 78 PRO 78 -.3299 999.9900 999.9900 999.9900 .4496 .0598 .4735 .5019 .4901 .2738 79 GLU 79 .8733 1.2230 999.9900 -1.0323 .3899 .3635 .4823 .4435 .4597 .3966 80 GLU 80 .5470 -.3559 999.9900 -1.0323 -.4821 -.3308 -.4034 .3649 .0448 -.2270 81 ALA 81 .8241 999.9900 999.9900 999.9900 .2908 .5575 .6125 .6610 .6408 .5971 82 ALA 82 .6648 999.9900 999.9900 999.9900 .7881 .7264 .0171 .5785 .3446 .5121 83 ALA 83 .9879 999.9900 999.9900 999.9900 .6550 .8214 .6148 .6690 .6464 .7317 84 LEU 84 .9913 -.1374 999.9900 999.9900 -.9806 -.0422 .6359 .0845 .3142 .1187 85 VAL 85 .3707 999.9900 .1416 999.9900 -.4490 .0211 .4179 .1745 .2760 .1311 86 ASP 86 1.1359 -.8657 999.9900 999.9900 .5431 .2711 .6039 .6899 .6541 .4214 87 GLY 87 -.2363 999.9900 999.9900 999.9900 .4303 .0970 .3695 .6013 .4983 .2912 88 LEU 88 -.8032 .8730 999.9900 999.9900 .6926 .2541 .6507 .6768 .6659 .4180 89 ARG 89 1.1353 -.0184 999.9900 .7862 -.2445 .4889 .4322 .5862 .5220 .4947 90 ARG 90 -.3294 1.1781 999.9900 .1593 .3956 .3126 .0716 -.1447 -.0546 .2128 91 GLU 91 -.3435 1.0486 999.9900 .3501 .2491 .3261 .3449 .5202 .4472 .3616 92 PRO 92 -.2296 999.9900 999.9900 999.9900 .7944 .2824 -.0279 .5152 .2889 .2630 93 GLY 93 -.5702 999.9900 999.9900 999.9900 .3466 -.1118 -1.4275 .6005 -.3008 -.2627 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .2666 .5960 .4078 .4313 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .7039 .7039 -.1400 .6310 .3006 .3983 96 SER 302 -2.2020 999.9900 -.7153 999.9900 .6235 -.7646 -.1443 .6069 .2939 -.3662 97 ASP 303 -1.5723 -1.0010 999.9900 999.9900 .7866 -.5956 .3234 .2990 .3092 -.2329 98 PRO 304 .6171 999.9900 999.9900 999.9900 -.1935 .2118 .4558 .5914 .5349 .3677 99 GLY 305 -.9638 999.9900 999.9900 999.9900 .8897 -.0370 -.0278 .5045 .2680 .1007 100 PRO 306 .3509 999.9900 999.9900 999.9900 .2989 .3249 .4642 .6438 .5690 .4394 101 GLU 307 -.2011 -.5578 999.9900 -1.0323 -.6780 -.6173 .3640 .5556 .4757 -.2583 102 ALA 308 .5364 999.9900 999.9900 999.9900 .8018 .6691 .6601 .6101 .6309 .6521 103 ALA 309 .7636 999.9900 999.9900 999.9900 .0520 .4078 .6477 .6698 .6606 .5333 104 ARG 310 .8469 .5439 999.9900 1.0005 .5640 .7912 .4098 .6786 .5666 .7206 105 LEU 311 .9913 .3419 999.9900 999.9900 .0933 .4755 -.0858 .2875 .1320 .3256 106 ARG 312 .9011 1.0644 999.9900 .7862 -.1565 .6763 .4825 .0736 .2440 .5625 107 PHE 313 1.2230 .3192 999.9900 999.9900 -.1944 .4493 .0239 -.1734 -.0912 .2397 108 ARG 314 .2784 .3075 999.9900 .1593 .7064 .3222 .5392 .3422 .4243 .3560 109 CYS 315 .1379 999.9900 .8629 999.9900 .6355 .5454 .6223 .6791 .6554 .5875 110 PHE 316 -.8057 -.6014 999.9900 999.9900 .2172 -.3966 .3125 .5416 .4461 -.0672 111 HIS 317 -.4125 -.0777 999.9900 999.9900 -.3908 -.2937 -.9056 .2715 -.2190 -.3030 112 TYR 318 -.5013 -.2298 999.9900 999.9900 .6984 -.0109 -.9771 .3421 -.2076 -.1335 113 GLU 319 -1.1136 -.4402 999.9900 -1.0323 -.6780 -.8160 -.2415 .1345 -.0222 -.5618 114 GLU 320 .6116 1.0525 999.9900 .3501 .0814 .5239 .5180 .1827 .3224 .4660 115 ALA 321 .8001 999.9900 999.9900 999.9900 -.0105 .3948 .6620 .5347 .5878 .4966 116 THR 322 -.1023 999.9900 -.8810 999.9900 .6112 -.1241 .1300 .3926 .2832 .0301 117 GLY 323 -.4135 999.9900 999.9900 999.9900 -.9224 -.6680 .6477 -.4842 .0188 -.2931 118 PRO 324 -1.9929 999.9900 999.9900 999.9900 -.8366 -1.4147 -.9205 .4693 -.1097 -.8201 119 GLN 325 .1338 .1167 999.9900 1.3059 -.7286 .2069 -1.2442 -.2553 -.6673 -.1120 120 GLU 326 .6833 .8034 999.9900 -1.0323 -1.0906 -.1591 .5299 .5113 .5191 .0675 121 ALA 327 .9879 999.9900 999.9900 999.9900 -.4068 .2905 .6624 .6491 .6546 .4731 122 LEU 328 1.1349 .8847 999.9900 999.9900 .4227 .8141 .3814 .4684 .4322 .6584 123 ALA 329 .8001 999.9900 999.9900 999.9900 .9520 .8761 .6877 .6827 .6848 .7806 124 GLN 330 .6461 -.7562 999.9900 1.3059 .5636 .4398 .4683 .4630 .4652 .4484 125 LEU 331 .9913 .9108 999.9900 999.9900 .9730 .9583 .3048 .5447 .4447 .7449 126 ARG 332 .8469 -.1311 999.9900 .1593 -.4506 .1168 .5476 .1236 .3003 .1793 127 GLU 333 .8733 .4305 999.9900 -1.0323 .2101 .1204 .5690 .6479 .6150 .2831 128 LEU 334 1.1349 .8730 999.9900 999.9900 .7348 .9142 .6891 .6282 .6536 .8120 129 CYS 335 1.0802 999.9900 .1296 999.9900 .4013 .5370 .3322 .5392 .4530 .4965 130 ARG 336 .6655 -2.0954 999.9900 .9503 -.0022 .0937 .2491 .0356 .1245 .1076 131 GLN 337 .4537 .8911 999.9900 2.7911 .1963 1.0830 .2821 .4948 .4062 .8515 132 TRP 338 -2.7772 -1.9067 999.9900 999.9900 -.4740 -1.7193 .0822 -.2703 -.1234 -1.0692 133 LEU 339 .8442 -.0645 999.9900 999.9900 -.0758 .2346 .5915 .1052 .3078 .2801 134 ARG 340 -1.9585 1.0644 999.9900 1.0005 .0662 .2346 .5536 .1318 .3076 .2655 135 PRO 341 .0709 999.9900 999.9900 999.9900 .2426 .1568 .3276 .3858 .3615 .2567 136 GLU 342 1.0761 .5971 999.9900 -1.0323 -1.8950 -.3135 .4409 .2860 .3506 -.0879 137 VAL 343 -1.6906 999.9900 -1.0788 999.9900 .7810 -.6628 .3522 .5814 .4859 -.2109 138 ARG 344 -.7709 1.1699 999.9900 .1593 .3956 .2226 -.6867 .2802 -.1227 .1010 139 SER 345 -1.1635 999.9900 -.0289 999.9900 .5740 -.2061 -.6935 .2747 -.1287 -.2074 140 LYS 346 1.0429 -2.9005 999.9900 -.4035 -1.6664 -.8662 .1885 .5673 .4095 -.5108 141 GLU 347 .8604 -2.8418 999.9900 -1.0323 .3899 -.6560 .4270 -.3643 -.0346 -.4269 142 GLN 348 .9732 .4956 999.9900 1.3059 .1963 .7427 .4572 .5348 .5025 .6605 143 MET 349 1.1168 .8879 999.9900 .9587 -1.9874 .2440 .0974 .6137 .3986 .2812 144 LEU 350 .2355 -1.6462 999.9900 999.9900 -.3982 -.6030 .0994 .4343 .2948 -.2550 145 GLU 351 .7157 .4305 999.9900 -1.0323 .5390 .1632 .5754 .5664 .5702 .2991 146 LEU 352 1.1349 .8730 999.9900 999.9900 .6708 .8929 .2448 .6539 .4834 .7155 147 LEU 353 -.0169 -.6141 999.9900 999.9900 -.6084 -.4131 -.0545 -.3351 -.2182 -.3258 148 VAL 354 .8065 999.9900 -.5532 999.9900 .6025 .2853 .4537 .3086 .3691 .3236 149 LEU 355 .8786 -2.0611 999.9900 999.9900 -.6084 -.5969 .3688 .1671 .2511 -.2510 150 GLU 356 .1185 -2.8418 999.9900 -1.0323 .0814 -.9186 .3267 .4126 .3768 -.4892 151 GLN 357 .9013 -2.6982 999.9900 1.3059 .1963 -.0737 .5012 .4968 .4986 .1172 152 PHE 358 1.2168 .3192 999.9900 999.9900 .3981 .6447 .5716 .6481 .6162 .6307 153 LEU 359 1.1349 -.9358 999.9900 999.9900 .8331 .3441 .3892 .1367 .2419 .3116 154 GLY 360 -.0858 999.9900 999.9900 999.9900 -.2551 -.1705 .5905 .6590 .6286 .2271 155 ALA 361 -.2252 999.9900 999.9900 999.9900 -.4068 -.3160 .5805 .5094 .5391 .1145 156 LEU 362 -.3571 .9108 999.9900 999.9900 -.1723 .1271 .5425 .1875 .3354 .2223 157 PRO 363 .5449 999.9900 999.9900 999.9900 .2426 .3938 .4682 .1522 .2839 .3520 158 PRO 364 -1.5682 999.9900 999.9900 999.9900 .5793 -.4945 .5863 .5738 .5790 .0428 159 GLU 365 .8733 -.1645 999.9900 .3501 .3568 .3539 .4774 .5397 .5138 .4055 160 ILE 366 .6852 .6227 999.9900 999.9900 -.1449 .3877 .5926 .6276 .6130 .4766 161 GLN 367 1.2265 .6816 999.9900 1.3059 .6605 .9686 .4304 .6486 .5577 .8256 162 ALA 368 .8001 999.9900 999.9900 999.9900 .8416 .8209 .6479 .6420 .6444 .7329 163 ARG 369 1.0056 .0264 999.9900 .5548 .6379 .5559 .6540 .3829 .4959 .5452 164 VAL 370 1.0462 999.9900 .8055 999.9900 .1378 .6631 .2235 .4157 .3356 .5257 165 GLN 371 .7451 -.2721 999.9900 1.3059 .5636 .5856 .5570 .2360 .3698 .5226 166 GLY 372 .7290 999.9900 999.9900 999.9900 .2782 .5036 .6613 .6889 .6767 .5894 167 GLN 373 -.3431 1.1250 999.9900 1.3059 -.7286 .3398 .6302 .5909 .6073 .4300 168 ARG 374 -1.7561 .3427 999.9900 .7862 -.2445 -.0171 .5267 .2630 .3729 .1006 169 PRO 375 -.8433 999.9900 999.9900 999.9900 .2989 -.2722 .3980 .3283 .3573 .0455 170 GLY 376 .9055 999.9900 999.9900 999.9900 .2296 .5676 -.3965 .6137 .1647 .3381 171 SER 377 -.3484 999.9900 .3727 999.9900 -1.1621 -.3792 -.0057 .4633 .2679 -.1360 172 PRO 378 -.3299 999.9900 999.9900 999.9900 .1187 -.1056 .6400 .3373 .4634 .1915 173 GLU 379 .6833 -1.1891 999.9900 -1.0323 .2865 -.3129 .3910 .5446 .4806 -.0527 174 GLU 380 .8733 -.3559 999.9900 -1.0323 -.3984 -.2283 .2763 .5671 .4459 -.0117 175 ALA 381 .7636 999.9900 999.9900 999.9900 .7881 .7758 .5863 .6804 .6412 .7046 176 ALA 382 .5799 999.9900 999.9900 999.9900 .6227 .6013 .1488 .6313 .4303 .4957 177 ALA 383 .9879 999.9900 999.9900 999.9900 -.7624 .1127 .4587 .4049 .4273 .2722 178 LEU 384 .0401 -3.3760 999.9900 999.9900 .7753 -.8535 .4074 -1.3887 -.6403 -.7084 179 VAL 385 .1911 999.9900 .3968 999.9900 -.3121 .0919 .4768 .6329 .5678 .2771 180 ASP 386 1.1359 -.7152 999.9900 999.9900 -.1266 .0980 .6270 .6257 .6262 .3094 181 GLY 387 -.5849 999.9900 999.9900 999.9900 .2782 -.1533 .5615 .5642 .5630 .2048 182 LEU 388 -.8032 .8730 999.9900 999.9900 .3346 .1348 .6174 .6458 .6339 .3335 183 ARG 389 .8469 -.1448 999.9900 .5548 .6728 .4969 -.1091 .6572 .3379 .4332 184 ARG 390 -1.6049 1.1781 999.9900 .5548 -2.3710 -.3376 -.9476 .5996 -.0451 -.2909 185 GLU 391 -1.6894 .4158 999.9900 1.1588 -1.0906 -.3013 .0462 .4270 .2684 -.1220 186 PRO 392 -1.9661 999.9900 999.9900 999.9900 .4949 -.7356 .6682 .4846 .5611 -.0796 187 GLY 393 -.4135 999.9900 999.9900 999.9900 .4101 -.0017 -.0402 .6379 .3365 .1486 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -.8315 .1267 -.3524 -.3524 Means: .2067 -.1649 .1033 .3262 .1271 .1267 .3048 .4003 .3602 .2137 2.00 refined_9