1 GLY 1 999.9900 999.9900 999.9900 999.9900 .6890 .6890 -.3297 .5446 .1074 .3013 2 SER 2 -.8144 999.9900 .3727 999.9900 -.0193 -.1536 .2867 .5555 .4435 .0762 3 ASP 3 -.1859 -.9304 999.9900 999.9900 .5431 -.1911 .5348 .3410 .4217 .0605 4 PRO 4 -2.1402 999.9900 999.9900 999.9900 .2426 -.9488 .4365 .6041 .5342 -.2142 5 GLY 5 -1.3427 999.9900 999.9900 999.9900 .0351 -.6538 .0481 .5675 .3366 -.1730 6 PRO 6 .0235 999.9900 999.9900 999.9900 .6188 .3212 .5843 .6259 .6086 .4631 7 GLU 7 1.0761 -.3402 999.9900 .3501 .2101 .3240 .6481 .6121 .6271 .4260 8 ALA 8 .6496 999.9900 999.9900 999.9900 .2671 .4584 .5906 .6580 .6299 .5413 9 ALA 9 .7636 999.9900 999.9900 999.9900 .3365 .5501 .6778 .6687 .6725 .6117 10 ARG 10 .8469 .7078 999.9900 .1593 .2455 .4238 .3156 .5289 .4400 .4233 11 LEU 11 .9913 .3419 999.9900 999.9900 .0933 .4755 -.0631 .4818 .2547 .3690 12 ARG 12 1.1353 1.0644 999.9900 .6901 .7064 .8572 .5397 .6080 .5795 .7763 13 PHE 13 .6259 .6387 999.9900 999.9900 -.9498 .1049 .1173 .2733 .2083 .1411 14 ARG 14 .6655 -.2334 999.9900 1.0005 .6728 .6212 .5465 .5688 .5595 .6030 15 CYS 15 .1005 999.9900 .1296 999.9900 .5249 .2517 .5975 .6712 .6405 .4047 16 PHE 16 -1.4107 .7639 999.9900 999.9900 .4513 -.0652 .0584 .6618 .4104 .1049 17 HIS 17 -.4125 -.3484 999.9900 999.9900 -.6493 -.4701 -1.0630 .2479 -.2983 -.4451 18 TYR 18 -.5013 .2264 999.9900 999.9900 .8158 .1803 -1.0968 .2090 -.3351 -.0694 19 GLU 19 -.7635 -.6022 999.9900 -1.0323 .2101 -.5470 -.9699 .2567 -.2544 -.4835 20 GLU 20 .4426 .6303 999.9900 -1.0323 .4526 .1233 .6204 .1542 .3484 .2113 21 ALA 21 .8001 999.9900 999.9900 999.9900 .1657 .4829 .6214 .4845 .5416 .5179 22 THR 22 -.1023 999.9900 -.8810 999.9900 .7246 -.0863 .1770 .4140 .3153 .0665 23 GLY 23 -.5702 999.9900 999.9900 999.9900 -.1350 -.3526 .5284 .0739 .2759 -.0257 24 PRO 24 -.4052 999.9900 999.9900 999.9900 -.4005 -.4029 .3944 .5954 .5117 .0460 25 GLN 25 1.0381 -.9749 999.9900 1.3059 .7486 .5294 -.1546 .4099 .1747 .3955 26 GLU 26 .6833 .5040 999.9900 .3501 -.3984 .2847 .5589 .3488 .4363 .3411 27 ALA 27 .9879 999.9900 999.9900 999.9900 -.6283 .1798 .6749 .6833 .6798 .4294 28 LEU 28 .8786 .8847 999.9900 999.9900 .4504 .7379 .4751 .5749 .5333 .6527 29 ALA 29 .9879 999.9900 999.9900 999.9900 .8152 .9016 .6703 .6723 .6715 .7864 30 GLN 30 .6461 -.7562 999.9900 1.3059 .6605 .4641 .5323 .3621 .4330 .4584 31 LEU 31 .8182 .9108 999.9900 999.9900 .5787 .7693 .0381 .4635 .2863 .5619 32 ARG 32 1.1353 .8164 999.9900 1.0005 .5640 .9033 -.0683 .6479 .3495 .7281 33 GLU 33 .8733 -.3719 999.9900 -1.0323 1.0761 .1363 .4572 -.0034 .1885 .1665 34 LEU 34 1.1349 .8710 999.9900 999.9900 -.4635 .5141 .6327 .6336 .6332 .5617 35 CYS 35 1.4696 999.9900 .1296 999.9900 .9108 .8367 .5859 .4826 .5257 .7157 36 ARG 36 .8354 -1.8960 999.9900 .1593 .9385 .0393 -.3074 .1532 -.0387 .0060 37 GLN 37 .3572 1.1250 999.9900 2.7911 .7055 1.2447 -.2426 .5666 .2295 .8838 38 TRP 38 -2.7772 -3.3859 999.9900 999.9900 .7198 -1.8144 .0137 -.2063 -.1146 -1.1272 39 LEU 39 .6296 .8730 999.9900 999.9900 .5293 .6773 .4771 .4788 .4781 .5976 40 ARG 40 -1.7561 1.0644 999.9900 .1593 .4407 .0135 .4512 .3579 .3968 .1252 41 PRO 41 -.6976 999.9900 999.9900 999.9900 -.1935 -.4455 .1601 .4111 .3065 -.0800 42 GLU 42 .8171 -.3559 999.9900 .3501 -.7952 .0040 .2797 .4662 .3885 .1270 43 VAL 43 -1.8566 999.9900 -.2457 999.9900 .5258 -.5255 .5927 .4325 .4992 -.1103 44 ARG 44 -.5614 1.0858 999.9900 2.1108 .3956 1.0283 -.2216 .1076 -.0296 .7182 45 SER 45 -.2386 999.9900 -.0289 999.9900 .7151 .1492 .2769 .3768 .3352 .2203 46 LYS 46 1.0429 1.1634 999.9900 .4996 .7460 .7903 .4915 .4837 .4870 .7038 47 GLU 47 .8604 .8793 999.9900 -1.0323 -.1261 .1453 .0926 .6256 .4035 .2166 48 GLN 48 1.0064 .0182 999.9900 1.3059 .0346 .5913 .2819 .6423 .4921 .5482 49 MET 49 1.1168 .8879 999.9900 .9587 -1.9874 .2440 .1314 .5849 .3959 .2820 50 LEU 50 .2355 -1.1684 999.9900 999.9900 .1683 -.2549 .1269 .3131 .2355 -.0649 51 GLU 51 .7157 .8793 999.9900 -1.0323 .7127 .3188 .5850 .6118 .6007 .4120 52 LEU 52 1.1349 .8730 999.9900 999.9900 .7139 .9073 .4959 .6423 .5813 .7720 53 LEU 53 .6509 -.8687 999.9900 999.9900 -1.5756 -.5978 .0884 -.7663 -.4102 -.4943 54 VAL 54 .8065 999.9900 .7395 999.9900 -.2503 .4319 .3159 .5968 .4797 .4417 55 LEU 55 .8182 -2.0611 999.9900 999.9900 .6258 -.2057 .1607 .2366 .2050 -.0439 56 GLU 56 .7157 .6687 999.9900 -1.0323 1.0761 .3571 .4908 .5222 .5091 .4069 57 GLN 57 .9013 -2.6982 999.9900 1.3059 -.2736 -.1912 .4881 .5070 .4991 .0384 58 PHE 58 1.2168 .8308 999.9900 999.9900 -.0075 .6801 .6100 .6255 .6191 .6551 59 LEU 59 .8786 -.9358 999.9900 999.9900 .9730 .3052 .3546 .0363 .1689 .2613 60 GLY 60 -.4135 999.9900 999.9900 999.9900 .5069 .0467 .6997 .6270 .6593 .3550 61 ALA 61 .5364 999.9900 999.9900 999.9900 -.7624 -.1130 .6567 .6229 .6370 .2634 62 LEU 62 -.3571 .9108 999.9900 999.9900 -.0758 .1593 .5983 .1314 .3259 .2415 63 PRO 63 .4197 999.9900 999.9900 999.9900 .2426 .3312 .1737 .1259 .1458 .2405 64 PRO 64 -2.9776 999.9900 999.9900 999.9900 -.1935 -1.5855 .5824 .3992 .4755 -.5474 65 GLU 65 .7157 -.1645 999.9900 -1.0323 .5923 .0278 .6113 .5133 .5541 .2060 66 ILE 66 .6852 .2838 999.9900 999.9900 .4089 .4593 .4686 .6444 .5712 .4982 67 GLN 67 1.2265 .6816 999.9900 1.3059 .7486 .9906 .6521 .6708 .6631 .8809 68 ALA 68 .8001 999.9900 999.9900 999.9900 .6708 .7354 .6626 .6496 .6550 .6958 69 ARG 69 1.0056 .1897 999.9900 1.6274 .4407 .9781 .5492 .6113 .5854 .8645 70 VAL 70 .9834 999.9900 .8662 999.9900 .7394 .8630 .2962 .4500 .3859 .6670 71 GLN 71 .7451 -1.3011 999.9900 1.3059 .7055 .3639 .4398 .3611 .3939 .3761 72 GLY 72 -.4135 999.9900 999.9900 999.9900 .0951 -.1592 .4843 .4207 .4490 .1467 73 GLN 73 -2.0516 .0854 999.9900 2.7911 .7055 .3826 .6081 .4400 .5101 .4298 74 ARG 74 -2.9267 .1897 999.9900 .5548 -.2445 -.3744 .6345 .0351 .2848 -.1718 75 PRO 75 -3.6843 999.9900 999.9900 999.9900 .8563 -1.4140 .6021 .5669 .5816 -.4147 76 GLY 76 .9055 999.9900 999.9900 999.9900 .8897 .8976 .4904 .5954 .5487 .7203 77 SER 77 .0374 999.9900 .3727 999.9900 -.6377 -.0758 .2961 .4205 .3687 .0978 78 PRO 78 -.3299 999.9900 999.9900 999.9900 -.6674 -.4987 .5002 .2652 .3631 -.0580 79 GLU 79 .6833 1.0525 999.9900 -1.0323 -.1867 .1292 .5750 .4454 .4994 .2562 80 GLU 80 .8733 -.2267 999.9900 -1.0323 -1.0906 -.3691 -.3280 .4368 .1181 -.2279 81 ALA 81 .8241 999.9900 999.9900 999.9900 .6390 .7316 .6154 .6784 .6521 .6892 82 ALA 82 .8241 999.9900 999.9900 999.9900 .2908 .5575 -.3706 .6600 .2306 .3511 83 ALA 83 .6496 999.9900 999.9900 999.9900 .4999 .5748 .4308 .6305 .5473 .5527 84 LEU 84 .9913 .5280 999.9900 999.9900 -.1723 .4490 .3641 -.2256 .0201 .2971 85 VAL 85 .3707 999.9900 .1416 999.9900 -.0858 .1422 .1528 .2835 .2291 .1726 86 ASP 86 1.1285 -.7325 999.9900 999.9900 -.5661 -.0567 .5964 .5825 .5883 .2017 87 GLY 87 -.2363 999.9900 999.9900 999.9900 .6890 .2263 .6294 .6794 .6572 .4404 88 LEU 88 -.8032 .8730 999.9900 999.9900 -.6084 -.1795 .6144 .6447 .6321 .1441 89 ARG 89 -2.9267 -.4122 999.9900 .1593 -.3418 -.6724 -.4845 .3646 .0108 -.4974 90 ARG 90 -.2265 .8024 999.9900 .9503 .5640 .6081 -1.3210 .6168 -.1906 .3338 91 GLU 91 -.6897 1.1195 999.9900 -1.0323 .2101 -.0981 .2591 .1198 .1778 -.0023 92 PRO 92 .3509 999.9900 999.9900 999.9900 .8563 .6036 .4766 .5313 .5085 .5538 93 GLY 93 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .4824 .6748 .5893 .4153 94 GLY 94 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .4517 .6193 .5235 .5355 95 GLY 301 999.9900 999.9900 999.9900 999.9900 .0351 .0351 -1.4717 .6061 -.2844 -.2768 96 SER 302 -.5255 999.9900 -.0289 999.9900 .0747 -.1599 -.0846 .3790 .1858 -.0371 97 ASP 303 -.5058 -2.0928 999.9900 999.9900 -.1266 -.9084 .2791 .2617 .2690 -.4369 98 PRO 304 -2.1402 999.9900 999.9900 999.9900 .7618 -.6892 .4812 .5487 .5206 -.0871 99 GLY 305 -1.0990 999.9900 999.9900 999.9900 .4303 -.3344 .5212 .5052 .5123 .0894 100 PRO 306 .6171 999.9900 999.9900 999.9900 .6931 .6551 .6012 .6103 .6065 .6304 101 GLU 307 1.0761 -.3402 999.9900 -1.0323 .5112 .0537 .6176 .5690 .5893 .2335 102 ALA 308 .5364 999.9900 999.9900 999.9900 .0520 .2942 .4756 .6106 .5544 .4187 103 ALA 309 .9879 999.9900 999.9900 999.9900 .6390 .8134 .4418 .6249 .5486 .6734 104 ARG 310 .8469 .3358 999.9900 .7862 .5640 .6638 .4926 .4200 .4503 .6045 105 LEU 311 .9913 .3419 999.9900 999.9900 .7949 .7094 -.1542 .5240 .2414 .4996 106 ARG 312 .8469 1.0644 999.9900 .1593 .9385 .6337 .1732 .6181 .4327 .5657 107 PHE 313 .6259 .6387 999.9900 999.9900 -.0075 .4190 .0492 .2247 .1516 .3062 108 ARG 314 -.0126 -.2334 999.9900 .1593 .5640 .1273 .3159 .4237 .3788 .1966 109 CYS 315 .1379 999.9900 .1296 999.9900 .5249 .2641 .5443 .6470 .6042 .3967 110 PHE 316 -.6196 -.6014 999.9900 999.9900 .2815 -.3132 .3581 .5922 .4946 .0022 111 HIS 317 -.3517 -.0777 999.9900 999.9900 -1.6368 -.6887 -.7877 .3341 -.1333 -.5040 112 TYR 318 -.5013 -.2298 999.9900 999.9900 .5630 -.0561 -1.2343 .3249 -.3247 -.2155 113 GLU 319 -.7937 -.4402 999.9900 .3501 1.0761 .0481 -.6238 .3535 -.0537 -.0130 114 GLU 320 .4426 1.0525 999.9900 -1.0323 .4218 .2211 .4613 .4696 .4661 .3026 115 ALA 321 .8241 999.9900 999.9900 999.9900 -.2278 .2982 .6484 .5610 .5974 .4514 116 THR 322 -.2485 999.9900 -.8810 999.9900 .6695 -.1533 .1728 .4554 .3377 .0337 117 GLY 323 -1.0150 999.9900 999.9900 999.9900 -.2133 -.6141 .6497 .2858 .4475 -.0732 118 PRO 324 .4698 999.9900 999.9900 999.9900 .4496 .4597 .5223 .4871 .5017 .4822 119 GLN 325 .9013 -1.3908 999.9900 1.3059 .6133 .3574 .3640 .0617 .1877 .3092 120 GLU 326 .6833 .5296 999.9900 -1.0323 -.4821 -.0754 .6192 .4663 .5300 .1306 121 ALA 327 .9879 999.9900 999.9900 999.9900 -.1129 .4375 .6327 .6817 .6613 .5474 122 LEU 328 .8786 .8847 999.9900 999.9900 .8331 .8655 .1324 .3825 .2783 .6223 123 ALA 329 .9879 999.9900 999.9900 999.9900 .4999 .7439 .5487 .6455 .6052 .6705 124 GLN 330 1.0381 -.3910 999.9900 1.3059 .5113 .6161 .5222 .1453 .3023 .5220 125 LEU 331 .8182 .9108 999.9900 999.9900 .6258 .7849 -.1747 .5123 .2261 .5385 126 ARG 332 .9011 .8024 999.9900 .9503 .4837 .8176 .3627 .6475 .5289 .7283 127 GLU 333 .8733 -.3719 999.9900 1.1588 .7127 .5932 .4843 .4589 .4695 .5527 128 LEU 334 1.1349 .8730 999.9900 999.9900 -.0758 .6440 .5122 .6376 .5853 .6164 129 CYS 335 1.0802 999.9900 .1296 999.9900 1.0610 .7569 .4543 .4879 .4739 .6426 130 ARG 336 .6655 -1.8960 999.9900 1.3169 .4407 .3688 -.0013 .1534 .0890 .2852 131 GLN 337 .0311 .5350 999.9900 1.3059 -.5521 .3299 .1551 .4628 .3346 .3230 132 TRP 338 -2.2560 -1.1671 999.9900 999.9900 1.1998 -.7411 .1496 -.4787 -.2169 -.5105 133 LEU 339 .6296 .8710 999.9900 999.9900 -2.0927 -.1974 .4301 .6182 .5398 .0912 134 ARG 340 -2.2658 .3495 999.9900 .1593 .3956 -.2404 .5410 .2227 .3553 -.0626 135 PRO 341 .4523 999.9900 999.9900 999.9900 -.0243 .2140 .3687 .6144 .5120 .3527 136 GLU 342 .1025 -.4584 999.9900 .3501 .0339 .0070 .5696 .6413 .6114 .2065 137 VAL 343 -1.7692 999.9900 -.0276 999.9900 .6734 -.3745 .4994 .4811 .4887 -.0286 138 ARG 344 -.7709 1.1699 999.9900 .6901 .5640 .4686 .1261 .3038 .2297 .3961 139 SER 345 -.7443 999.9900 .3727 999.9900 .8922 .1735 .3222 .3284 .3258 .2342 140 LYS 346 1.0429 1.1634 999.9900 .3240 .0060 .5721 .5357 .1361 .3026 .5046 141 GLU 347 .7157 -.6497 999.9900 -1.0323 .4526 -.1284 -.3365 .0858 -.0902 -.1274 142 GLN 348 1.0064 .4660 999.9900 1.3059 .1188 .7243 .5515 .5437 .5470 .6654 143 MET 349 1.1168 .8879 999.9900 .9587 -1.9874 .2440 .2168 .5882 .4334 .2968 144 LEU 350 .8182 -1.1684 999.9900 999.9900 .3346 -.0052 .4516 .4007 .4219 .1674 145 GLU 351 1.0761 .8793 999.9900 .3501 1.0761 .8454 .5848 .6450 .6199 .7686 146 LEU 352 1.1349 .8730 999.9900 999.9900 -.0758 .6440 .5449 .5871 .5695 .6128 147 LEU 353 .8475 .5315 999.9900 999.9900 -.0758 .4344 -.3986 .3571 .0422 .2523 148 VAL 354 .7683 999.9900 .9747 999.9900 .5776 .7735 .5146 .6005 .5647 .6871 149 LEU 355 .8182 -2.3037 999.9900 999.9900 .9730 -.1708 .3662 .2476 .2970 .0202 150 GLU 356 .7157 .6687 999.9900 -1.0323 .3568 .1772 .6012 .5641 .5796 .3124 151 GLN 357 .6461 -2.6982 999.9900 1.3059 -.1596 -.2265 .5194 .4046 .4524 .0030 152 PHE 358 1.2168 .8308 999.9900 999.9900 .7193 .9223 .6005 .6023 .6016 .7940 153 LEU 359 1.1349 -.9358 999.9900 999.9900 .6258 .2750 .4165 .1691 .2722 .2821 154 GLY 360 -.2363 999.9900 999.9900 999.9900 .2296 -.0034 .6316 .6246 .6277 .3123 155 ALA 361 .5364 999.9900 999.9900 999.9900 -.7624 -.1130 .5890 .6410 .6193 .2510 156 LEU 362 -.3571 .9108 999.9900 999.9900 -.1229 .1436 .5208 .2525 .3643 .2408 157 PRO 363 .5449 999.9900 999.9900 999.9900 -.6674 -.0613 .5886 .3194 .4316 .1964 158 PRO 364 .0235 999.9900 999.9900 999.9900 .7618 .3927 .4968 .5573 .5321 .4599 159 GLU 365 -.2326 -.3402 999.9900 -1.0323 .7127 -.2231 .4373 .5979 .5310 .0238 160 ILE 366 .6852 .6227 999.9900 999.9900 .8537 .7205 .5071 .5983 .5603 .6534 161 GLN 367 1.2265 .6816 999.9900 1.3059 .5636 .9444 .5064 .4974 .5012 .7969 162 ALA 368 .8001 999.9900 999.9900 999.9900 .8018 .8009 .6972 .6892 .6925 .7471 163 ARG 369 1.1353 .0264 999.9900 .5548 -.2445 .4054 .6438 .5637 .5971 .4620 164 VAL 370 .2188 999.9900 .5873 999.9900 .3827 .3963 -.0137 .5276 .3021 .3406 165 GLN 371 .7451 -1.9601 999.9900 1.3059 -.5521 -.1153 .3953 .2018 .2824 .0226 166 GLY 372 .7290 999.9900 999.9900 999.9900 .3016 .5153 .4140 .6296 .5338 .5185 167 GLN 373 -1.0957 .4898 999.9900 1.3059 .1963 .2241 .5795 .5043 .5356 .3300 168 ARG 374 -2.9267 .3427 999.9900 .7862 -.0761 -.2176 .6135 -.1952 .1417 -.0956 169 PRO 375 -3.6843 999.9900 999.9900 999.9900 .7618 -1.4612 .6216 .6144 .6174 -.4216 170 GLY 376 .9055 999.9900 999.9900 999.9900 .7039 .8047 .4955 .6686 .5917 .6934 171 SER 377 .1980 999.9900 -.0289 999.9900 -1.9795 -.6035 .2499 .3187 .2900 -.2484 172 PRO 378 -.8433 999.9900 999.9900 999.9900 .1827 -.3303 .3779 .4042 .3932 .0304 173 GLU 379 .6833 1.0525 999.9900 -1.0323 -.4821 .0553 .5591 .5001 .5247 .2134 174 GLU 380 .8733 -.3559 999.9900 -1.0323 .0339 -.1202 .0752 .5546 .3549 .0248 175 ALA 381 .8241 999.9900 999.9900 999.9900 .8152 .8197 .6695 .6786 .6748 .7469 176 ALA 382 .8241 999.9900 999.9900 999.9900 .4012 .6127 .3719 .6429 .5299 .5600 177 ALA 383 .7636 999.9900 999.9900 999.9900 .6708 .7172 .5925 .5969 .5951 .6559 178 LEU 384 .6296 -3.3760 999.9900 999.9900 .2713 -.8250 .3258 -.6956 -.2700 -.5690 179 VAL 385 .5660 999.9900 -1.0788 999.9900 -.8010 -.4379 .5981 .2300 .3834 -.0971 180 ASP 386 1.3227 -1.4542 999.9900 999.9900 .2628 .0438 .5945 .6047 .6005 .2661 181 GLY 387 .5723 999.9900 999.9900 999.9900 .5943 .5833 .6340 .6927 .6666 .6233 182 LEU 388 .6296 .8710 999.9900 999.9900 .0933 .5313 .6563 .6480 .6514 .5796 183 ARG 389 -1.4318 -1.8960 999.9900 1.0005 -1.7309 -.6115 -.1635 -2.3110 -1.4162 -.7903 184 ARG 390 -.4155 .7078 999.9900 .1593 -1.7309 -.2240 -.2767 .5176 .1866 -.1256 185 GLU 391 -.5578 .8793 999.9900 -1.0323 .2101 -.1252 .4172 .3222 .3618 .0398 186 PRO 392 -.7236 999.9900 999.9900 999.9900 -.4005 -.5621 .5225 .5658 .5477 -.0090 187 GLY 393 -.4497 999.9900 999.9900 999.9900 .8277 .1890 .4031 .6440 .5369 .3563 188 GLY 394 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 -.4233 .6471 .1119 .1119 Means: .1843 .0096 .0873 .4528 .2126 .1985 .3215 .4288 .3838 .2671 2.00 refined_11