1 GLY 1 999.9900 999.9900 999.9900 999.9900 .6270 .6270 .0805 .6664 .3734 .4580 2 SER 2 -.1368 999.9900 -.7153 999.9900 .3425 -.1699 -.3549 .6734 .2450 -.0382 3 ASP 3 -1.0188 -1.0518 999.9900 999.9900 .6026 -.4894 .5333 .1149 .2892 -.1640 4 PRO 4 -2.3563 999.9900 999.9900 999.9900 .8563 -.7500 .4651 .6256 .5587 -.1023 5 GLY 5 -2.1575 999.9900 999.9900 999.9900 .3016 -.9279 .3199 .3940 .3611 -.2855 6 PRO 6 .4698 999.9900 999.9900 999.9900 .6931 .5815 .5296 .5838 .5612 .5691 7 GLU 7 .6833 -2.8418 999.9900 -1.0323 -.1867 -.8444 .3070 .0369 .1494 -.5056 8 ALA 8 .6496 999.9900 999.9900 999.9900 -.3587 .1454 .6941 .6124 .6464 .3994 9 ALA 9 .9879 999.9900 999.9900 999.9900 -.1129 .4375 .6459 .6119 .6261 .5332 10 ARG 10 .9556 .7238 999.9900 .1593 .2455 .4487 .5978 .5218 .5535 .4805 11 LEU 11 .9913 .3419 999.9900 999.9900 .0933 .4755 -.3759 .4764 .1213 .3054 12 ARG 12 1.1353 1.0644 999.9900 .1593 -.2445 .4548 .3967 .6444 .5412 .4736 13 PHE 13 1.1962 -.1636 999.9900 999.9900 -.0075 .3417 .4894 .0509 .2336 .3131 14 ARG 14 -.0126 .1897 999.9900 .1593 .7064 .2404 .4750 .6802 .5947 .3368 15 CYS 15 .1005 999.9900 .1296 999.9900 .4013 .2105 .5765 .6416 .6145 .3699 16 PHE 16 -1.0508 .7639 999.9900 999.9900 .8956 .2029 -.5630 .6014 .1162 .1294 17 HIS 17 -.5497 -.0777 999.9900 999.9900 -1.0138 -.5471 -1.4885 .2476 -.4758 -.5764 18 TYR 18 -.5013 -.2298 999.9900 999.9900 .6984 -.0109 -1.6666 -.0817 -.7421 -.3562 19 GLU 19 -.6163 -.4402 999.9900 -1.0323 .0339 -.5137 -1.1747 .3442 -.2887 -.4809 20 GLU 20 .4426 1.0525 999.9900 -1.0323 .5112 .2435 .4031 .4364 .4225 .3022 21 ALA 21 .5364 999.9900 999.9900 999.9900 .6550 .5957 .4468 .4708 .4608 .5273 22 THR 22 -.1023 999.9900 -.8810 999.9900 -.3332 -.4388 -.0027 .3984 .2313 -.1842 23 GLY 23 -.9638 999.9900 999.9900 999.9900 -.5578 -.7608 .5118 .0674 .2649 -.2356 24 PRO 24 -.4052 999.9900 999.9900 999.9900 -.1935 -.2994 .5500 .5906 .5737 .1355 25 GLN 25 .9013 .2375 999.9900 1.3059 1.1269 .8929 .6457 .4023 .5037 .7699 26 GLU 26 .8171 .5296 999.9900 -1.0323 -.3984 -.0210 .4074 .4965 .4594 .1366 27 ALA 27 .8241 999.9900 999.9900 999.9900 -.2278 .2982 .6886 .6509 .6666 .4840 28 LEU 28 .8786 .8847 999.9900 999.9900 .4774 .7469 .6420 .5859 .6093 .6937 29 ALA 29 .9879 999.9900 999.9900 999.9900 -.1129 .4375 .5288 .6671 .6095 .5177 30 GLN 30 .6461 -2.2325 999.9900 1.3059 .6605 .0950 .5014 .6135 .5668 .2491 31 LEU 31 .8786 .9108 999.9900 999.9900 .4774 .7556 .6152 .6105 .6125 .6985 32 ARG 32 1.0056 .8024 999.9900 1.3169 .5640 1.0012 .5872 .4602 .5131 .8647 33 GLU 33 .8171 -.3249 999.9900 -1.0323 .5923 .0130 .2382 -.5131 -.2001 -.0371 34 LEU 34 .8182 .8730 999.9900 999.9900 .7949 .8287 .6722 .6400 .6534 .7597 35 CYS 35 1.4696 999.9900 .1296 999.9900 -1.7809 -.0606 .4445 .5511 .5067 .1628 36 ARG 36 .8469 -2.0954 999.9900 .5548 -.2445 -.0767 .0961 -.0451 .0137 -.0475 37 GLN 37 .9732 .4898 999.9900 1.3059 .6133 .8455 .3137 .3328 .3248 .6714 38 TRP 38 -.9087 -1.6686 999.9900 999.9900 -.1614 -.9129 -.0882 -.0580 -.0706 -.5770 39 LEU 39 .9913 -.0645 999.9900 999.9900 .9730 .6332 .6416 .3627 .4789 .5808 40 ARG 40 -1.7561 .0684 999.9900 .1593 .7064 -.1325 .1186 .2721 .2081 -.0389 41 PRO 41 .0709 999.9900 999.9900 999.9900 .4949 .2829 .3036 .4676 .3992 .3342 42 GLU 42 1.0761 .8332 999.9900 -1.0323 .1264 .2508 .6003 .4997 .5416 .3506 43 VAL 43 -2.3613 999.9900 -.5532 999.9900 -.8010 -1.2385 .5794 .6287 .6081 -.5015 44 ARG 44 -.4840 .9983 999.9900 .1593 .2455 .2157 -.1511 -.2729 -.2221 .0935 45 SER 45 -.1368 999.9900 -.0289 999.9900 .7576 .1973 .2352 -.0736 .0551 .1507 46 LYS 46 1.0429 1.1634 999.9900 .1731 .5850 .6275 .3622 .1990 .2670 .5284 47 GLU 47 .8733 -.3402 999.9900 -1.0323 .3899 -.0273 .6083 .6032 .6053 .1837 48 GLN 48 .7370 .4660 999.9900 1.3059 .5636 .7681 .3226 .5858 .4761 .6635 49 MET 49 .8064 .8879 999.9900 .9587 -1.9874 .1664 -.0428 .4212 .2279 .1740 50 LEU 50 .2355 -1.8410 999.9900 999.9900 .3648 -.4136 -.2011 .3939 .1460 -.2096 51 GLU 51 .1185 .6046 999.9900 -1.0323 1.0761 .1917 .4425 .1657 .2810 .2292 52 LEU 52 1.1349 .8730 999.9900 999.9900 .9730 .9936 .5154 .6748 .6084 .8342 53 LEU 53 .6509 .5315 999.9900 999.9900 .5787 .5870 -.7897 .1488 -.2423 .2240 54 VAL 54 1.0462 999.9900 .1416 999.9900 .2144 .4674 .5562 .3350 .4272 .4587 55 LEU 55 .8786 -2.3037 999.9900 999.9900 .7348 -.2301 .3855 .1969 .2755 -.0216 56 GLU 56 -.3942 -.4402 999.9900 .3501 .6899 .0514 .0952 .3661 .2533 .1112 57 GLN 57 .9013 -.4358 999.9900 1.3059 -.0576 .4284 -.1331 .2721 .1033 .3088 58 PHE 58 1.2168 .5389 999.9900 999.9900 -.0075 .5827 .6360 .6522 .6455 .6073 59 LEU 59 1.1349 -.9061 999.9900 999.9900 .7348 .3212 .5303 .1270 .2951 .3242 60 GLY 60 -.2363 999.9900 999.9900 999.9900 -.2551 -.2457 .6379 .6679 .6545 .2036 61 ALA 61 -.2252 999.9900 999.9900 999.9900 -1.1070 -.6661 .5880 .5940 .5915 -.0376 62 LEU 62 -.5813 .9108 999.9900 999.9900 .0933 .1409 .5310 .3138 .4043 .2535 63 PRO 63 .4197 999.9900 999.9900 999.9900 .8563 .6380 .2171 .2285 .2237 .4304 64 PRO 64 .0003 999.9900 999.9900 999.9900 .4496 .2250 .6366 .5532 .5880 .4099 65 GLU 65 .8733 -.3402 999.9900 -1.0323 .2491 -.0625 .4591 .3968 .4228 .1010 66 ILE 66 .6852 .6227 999.9900 999.9900 .9338 .7473 .6006 .6318 .6188 .6948 67 GLN 67 1.2265 .6816 999.9900 1.3059 .2680 .8705 .6355 .6556 .6472 .7955 68 ALA 68 .8001 999.9900 999.9900 999.9900 .7881 .7941 .5805 .6683 .6317 .7092 69 ARG 69 .6323 .1897 999.9900 .9503 -.5739 .4297 .4075 .5662 .5001 .4461 70 VAL 70 .8065 999.9900 .6672 999.9900 -.1376 .4454 -.6408 .5377 .0467 .2466 71 GLN 71 .1632 -2.2325 999.9900 1.3059 -.4029 -.2916 .5291 -.0917 .1670 -.1215 72 GLY 72 .7290 999.9900 999.9900 999.9900 .8897 .8094 .1888 .5502 .3896 .5894 73 GLN 73 -.8581 -2.6982 999.9900 1.3059 .2680 -.4956 .0221 -.2779 -.1529 -.3730 74 ARG 74 -2.5097 .3075 999.9900 .7862 -.0761 -.1412 .3535 .2720 .3060 -.0115 75 PRO 75 -3.6843 999.9900 999.9900 999.9900 .4021 -1.6411 .4164 .6266 .5390 -.5598 76 GLY 76 .9055 999.9900 999.9900 999.9900 -.0291 .4382 .1312 .6311 .4089 .4097 77 SER 77 .0374 999.9900 -.0289 999.9900 -.3810 -.1241 .2156 .4418 .3475 .0570 78 PRO 78 -.3299 999.9900 999.9900 999.9900 .0500 -.1400 .4882 .4947 .4920 .1757 79 GLU 79 .6833 1.0525 999.9900 -1.0323 -.3984 .0762 .5825 .4241 .4901 .2186 80 GLU 80 .5470 -.2267 999.9900 -1.0323 -1.0906 -.4507 .2908 .5603 .4480 -.1586 81 ALA 81 .6648 999.9900 999.9900 999.9900 .6390 .6519 .4589 .6651 .5792 .6070 82 ALA 82 .8241 999.9900 999.9900 999.9900 .8416 .8329 .2100 .6486 .4659 .6311 83 ALA 83 .7636 999.9900 999.9900 999.9900 .7881 .7758 .6591 .6397 .6478 .7126 84 LEU 84 .6509 -3.3760 999.9900 999.9900 .5293 -.7319 .3917 -.1927 .0508 -.3994 85 VAL 85 .5660 999.9900 .1416 999.9900 .5258 .4111 .4590 .1186 .2604 .3622 86 ASP 86 .8349 -.4551 999.9900 999.9900 -.7687 -.1296 .6218 .6250 .6236 .1716 87 GLY 87 -.5009 999.9900 999.9900 999.9900 .7185 .1088 .6646 .6281 .6443 .3776 88 LEU 88 -1.1256 .8710 999.9900 999.9900 .6258 .1237 .4798 .4317 .4517 .2565 89 ARG 89 -.8609 .8761 999.9900 .1593 -1.0907 -.1514 .5501 .5072 .5251 .0429 90 ARG 90 -2.9267 .7735 999.9900 .1593 .7064 -.2256 .0187 .2660 .1629 -.1205 91 GLU 91 -.3633 .8793 999.9900 -1.0323 .1264 -.0975 .6191 .5323 .5685 .1269 92 PRO 92 -2.3165 999.9900 999.9900 999.9900 .7281 -.7942 .3634 .5434 .4684 -.1704 93 GLY 93 -.5417 999.9900 999.9900 999.9900 .8277 .1430 -.2115 .7019 .2959 .1941 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .4614 .6449 .5400 .5531 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .4101 .4101 .0570 .6687 .4066 .3786 96 SER 302 .0184 999.9900 -.7153 999.9900 .5215 -.0585 .2667 .6271 .4769 .1437 97 ASP 303 -1.2415 -1.8420 999.9900 999.9900 -1.8780 -1.6538 .3298 .4615 .4066 -.8340 98 PRO 304 -3.8843 999.9900 999.9900 999.9900 -1.3105 -2.5974 .3812 .3219 .3466 -1.1229 99 GLY 305 -2.1575 999.9900 999.9900 999.9900 .4101 -.8737 -.5388 .0469 -.2134 -.5598 100 PRO 306 .4698 999.9900 999.9900 999.9900 .3519 .4109 .6244 .5575 .5854 .5009 101 GLU 307 .6833 -.3402 999.9900 -1.0323 .1264 -.1407 .6017 .6301 .6182 .1115 102 ALA 308 .6496 999.9900 999.9900 999.9900 -.4068 .1214 .6246 .5452 .5783 .3532 103 ALA 309 .7636 999.9900 999.9900 999.9900 .4419 .6028 .5690 .6203 .5989 .5987 104 ARG 310 1.1353 .8164 999.9900 1.0005 .7064 .9318 .6357 .5116 .5633 .8295 105 LEU 311 1.1349 .3419 999.9900 999.9900 .0933 .5234 -.3200 .3941 .0966 .3288 106 ARG 312 1.1353 1.0644 999.9900 1.2696 .1299 .9738 .3739 .6285 .5224 .8387 107 PHE 313 1.2230 .1483 999.9900 999.9900 .3416 .5710 .5269 -.0676 .1802 .4345 108 ARG 314 .2784 -.2494 999.9900 .1593 .0662 .0828 .2728 .6239 .4776 .1872 109 CYS 315 .3182 999.9900 .1296 999.9900 .6355 .3611 .6254 .6595 .6453 .4736 110 PHE 316 -1.4107 -.6014 999.9900 999.9900 .8956 -.3722 .2727 .5473 .4329 -.0593 111 HIS 317 -.4125 -.3484 999.9900 999.9900 -1.6368 -.7992 -1.0419 .3768 -.2143 -.6126 112 TYR 318 .1474 -.5584 999.9900 999.9900 .9193 .1694 -2.0033 .1535 -.7452 -.2683 113 GLU 319 -.9070 -.8834 999.9900 -1.0323 .3568 -.6165 -.4254 .3722 .0398 -.4199 114 GLU 320 .6116 -.1887 999.9900 -1.0323 .7127 .0258 .3889 .4167 .4051 .1515 115 ALA 321 .5799 999.9900 999.9900 999.9900 .2428 .4113 .5916 .4675 .5192 .4704 116 THR 322 -.2485 999.9900 -.8810 999.9900 .6112 -.1728 .3382 .4207 .3863 .0481 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 -.2990 -.6570 .5292 .2085 .3511 -.1441 118 PRO 324 -.4052 999.9900 999.9900 999.9900 .2426 -.0813 .5099 .5432 .5293 .2226 119 GLN 325 1.2265 .2375 999.9900 1.3059 .6605 .8576 .6600 .3818 .4977 .7454 120 GLU 326 .5470 .5296 999.9900 -1.0323 .6899 .1835 .3876 .5915 .5065 .2855 121 ALA 327 .5799 999.9900 999.9900 999.9900 -.7624 -.0913 .6241 .6970 .6666 .2846 122 LEU 328 .8786 .8847 999.9900 999.9900 .8331 .8655 .3606 .3749 .3689 .6664 123 ALA 329 .9879 999.9900 999.9900 999.9900 .4999 .7439 .3261 .5865 .4780 .6001 124 GLN 330 1.0381 -2.2325 999.9900 1.3059 .1963 .0770 .4398 .5528 .5057 .2167 125 LEU 331 1.1349 .9108 999.9900 999.9900 .7348 .9268 .3440 .6683 .5332 .7585 126 ARG 332 1.1353 .7037 999.9900 .5548 -.2445 .5408 -.1295 .4803 .2262 .4364 127 GLU 333 .5470 .4305 999.9900 -1.0323 .5390 .1211 .1545 .4989 .3554 .1896 128 LEU 334 .8786 .8710 999.9900 999.9900 .7753 .8416 .5904 .6524 .6266 .7535 129 CYS 335 .8160 999.9900 .1296 999.9900 -.6280 .1059 .4787 .5181 .5017 .2629 130 ARG 336 .8354 -1.8960 999.9900 .7862 -.0761 .0871 .5039 .4011 .4439 .1915 131 GLN 337 .9732 .8911 999.9900 1.3059 .2680 .8596 .1878 .5978 .4270 .7040 132 TRP 338 -1.7348 -3.3859 999.9900 999.9900 -.4740 -1.8649 -.0861 -.1327 -.1133 -1.1627 133 LEU 339 .9913 .8730 999.9900 999.9900 .4774 .7806 -.1815 .3598 .1343 .5040 134 ARG 340 -1.7561 .1176 999.9900 1.0856 -.0022 .1061 .1007 .4895 .3275 .1601 135 PRO 341 .0709 999.9900 999.9900 999.9900 .7944 .4326 -.4314 .4841 .1026 .2295 136 GLU 342 .8171 .7809 999.9900 -1.0323 .0339 .1499 .1295 .3973 .2857 .1877 137 VAL 343 -1.3532 999.9900 -.0276 999.9900 .8960 -.1616 .4741 .5321 .5079 .1043 138 ARG 344 -.3884 1.1699 999.9900 .1593 .3956 .2992 -.0473 -.1616 -.1139 .1838 139 SER 345 -.4961 999.9900 1.2119 999.9900 -.3096 .1354 .1710 -.0523 .0408 .1050 140 LYS 346 .2805 .9683 999.9900 .1731 .7460 .4682 .1612 .0181 .0778 .3601 141 GLU 347 .6116 -1.3104 999.9900 -1.0323 -1.0906 -.7054 .4748 .0427 .2227 -.3840 142 GLN 348 .7370 .0182 999.9900 1.3059 .5636 .6562 .3345 .5915 .4844 .5918 143 MET 349 .8064 .8879 999.9900 .9587 -.3043 .5872 -.0719 .5817 .3094 .4764 144 LEU 350 .2355 -1.8410 999.9900 999.9900 -.2242 -.6099 -.1115 .4500 .2160 -.2982 145 GLU 351 .7157 .8332 999.9900 -1.0323 .2865 .2008 .0533 -.0155 .0132 .1401 146 LEU 352 1.1349 .8847 999.9900 999.9900 -1.0998 .3066 .0319 .5615 .3409 .3026 147 LEU 353 .6509 -.6965 999.9900 999.9900 -2.0927 -.7128 -.7460 -.9046 -.8385 -.7578 148 VAL 354 .9834 999.9900 .5873 999.9900 .4426 .6711 .2195 .4069 .3288 .5279 149 LEU 355 .8786 -2.3037 999.9900 999.9900 .4227 -.3341 .1965 .2101 .2044 -.1192 150 GLU 356 .1185 -.4402 999.9900 .3501 .6424 .1677 .4489 .3195 .3734 .2399 151 GLN 357 .9013 -.2721 999.9900 1.3059 .0346 .4924 .1408 .2763 .2198 .3978 152 PHE 358 1.2168 .5389 999.9900 999.9900 -.0075 .5827 .6680 .6031 .6301 .6039 153 LEU 359 1.1349 -.9358 999.9900 999.9900 .6258 .2750 .4794 .1607 .2935 .2930 154 GLY 360 -.2363 999.9900 999.9900 999.9900 .0036 -.1164 .5044 .6125 .5644 .2210 155 ALA 361 -.2252 999.9900 999.9900 999.9900 -.6283 -.4268 .6009 .5854 .5919 .0832 156 LEU 362 -.5813 .9108 999.9900 999.9900 -.7775 -.1493 .5389 .1627 .3195 .0507 157 PRO 363 .6201 999.9900 999.9900 999.9900 .5793 .5997 .5560 .1026 .2915 .4645 158 PRO 364 .0003 999.9900 999.9900 999.9900 .6188 .3096 .4685 .5544 .5186 .4105 159 GLU 365 .8733 -.3402 999.9900 -1.0323 .4218 -.0194 .2945 .4839 .4050 .1168 160 ILE 366 .6852 .6227 999.9900 999.9900 .9338 .7473 .5124 .5839 .5541 .6676 161 GLN 367 1.0064 .6816 999.9900 1.3059 .5636 .8894 .5141 .5676 .5453 .7732 162 ALA 368 .8001 999.9900 999.9900 999.9900 -.4068 .1966 .6326 .6811 .6609 .4268 163 ARG 369 1.0056 .1080 999.9900 .5548 .1299 .4706 .5864 .5060 .5395 .4922 164 VAL 370 .8065 999.9900 .8662 999.9900 .7394 .8040 .2209 .5843 .4329 .6435 165 GLN 371 .7451 -1.3011 999.9900 1.3059 .2680 .2545 .3880 .5928 .5075 .3331 166 GLY 372 -.6152 999.9900 999.9900 999.9900 -.0631 -.3391 .6032 .6792 .6454 .1510 167 GLN 373 .1338 -.6527 999.9900 1.3059 -1.6155 -.2071 .5274 .3507 .4243 .0083 168 ARG 374 -2.5097 .1176 999.9900 .6901 -.4506 -.2925 .6005 .0459 .2770 -.1166 169 PRO 375 -.8433 999.9900 999.9900 999.9900 .9143 .0355 .5417 .5578 .5511 .2926 170 GLY 376 1.0023 999.9900 999.9900 999.9900 .4303 .7163 .3978 .6391 .5319 .6174 171 SER 377 .0135 999.9900 -.7153 999.9900 -.6377 -.4465 .0507 .1822 .1274 -.2213 172 PRO 378 -.3299 999.9900 999.9900 999.9900 .1827 -.0736 .5147 .2527 .3619 .1551 173 GLU 379 .8171 .9247 999.9900 -1.0323 -.3984 .0778 .5308 .6086 .5762 .2417 174 GLU 380 .8733 -.2267 999.9900 -1.0323 -.3984 -.1960 .0992 .5399 .3563 -.0242 175 ALA 381 .6648 999.9900 999.9900 999.9900 .4617 .5632 .3486 .6725 .5375 .5369 176 ALA 382 .6648 999.9900 999.9900 999.9900 .7458 .7053 .5794 .6632 .6283 .6633 177 ALA 383 .6648 999.9900 999.9900 999.9900 .6708 .6678 .6412 .6727 .6596 .6624 178 LEU 384 .6509 -2.9612 999.9900 999.9900 -.0758 -.7954 .3213 -.0126 .1265 -.4155 179 VAL 385 1.0462 999.9900 .3968 999.9900 .5258 .6563 .4724 .6113 .5534 .6105 180 ASP 386 .8349 -.5059 999.9900 999.9900 -.7687 -.1466 .6456 .6272 .6349 .1666 181 GLY 387 -.5849 999.9900 999.9900 999.9900 -.5578 -.5713 .3307 .5362 .4449 -.0689 182 LEU 388 -.5279 .8847 999.9900 999.9900 -.2242 .0442 .5042 .3873 .4360 .2048 183 ARG 389 -.3884 .7317 999.9900 .1593 -1.3564 -.1389 .5784 .4597 .5092 .0491 184 ARG 390 -1.3837 -2.8571 999.9900 .1593 -.0022 -.7849 -.1364 -.1213 -.1276 -.5974 185 GLU 391 -.6163 .6231 999.9900 1.1588 -1.0906 .0188 .2504 .2061 .2245 .0886 186 PRO 392 -3.0630 999.9900 999.9900 999.9900 -.4005 -1.7318 -.1165 .3345 .1465 -.8114 187 GLY 393 .7290 999.9900 999.9900 999.9900 .7883 .7586 -.5509 .6682 .1264 .4086 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -1.7088 .1663 -.7713 -.7713 Means: .1690 -.1112 -.0008 .2633 .1421 .1167 .2801 .4106 .3559 .2045 2.00 refined_20