1 MET 1 999.9900 -.5441 999.9900 .9587 -1.2625 -.2827 .3660 .6412 .5161 .0318 2 ALA 2 -.2598 999.9900 999.9900 999.9900 .8018 .2710 -.4293 .6605 .2064 .1933 3 ASP 3 -.6028 -2.1980 999.9900 999.9900 .8336 -.6557 -.1381 .6183 .3031 -.2974 4 THR 4 .1421 999.9900 -.8810 999.9900 .4476 -.0971 -.1778 .3872 .1518 -.0164 5 GLY 5 -1.1938 999.9900 999.9900 999.9900 .6270 -.2834 -.5782 .6456 .1017 -.1249 6 GLU 6 -.4497 -.6022 999.9900 -1.0323 -1.0906 -.7937 -.4173 .6675 .2155 -.4874 7 VAL 7 .0764 999.9900 .1416 999.9900 -1.3636 -.3818 -.5354 .1264 -.1494 -.3109 8 GLN 8 -.4306 -1.7668 999.9900 1.3059 -1.6155 -.6268 -2.0579 .3656 -.6442 -.6999 9 PHE 9 .1414 -.0709 999.9900 999.9900 .2815 .1173 -1.0982 .4553 -.1920 -.0582 10 MET 10 -.1025 -2.5481 999.9900 .9587 .7725 -.2299 -.8140 .2892 -.1705 -.2407 11 LYS 11 -.5771 .1966 999.9900 -.4035 -2.6618 -.7699 .0408 .5444 .3345 -.4663 12 PRO 12 -.2605 999.9900 999.9900 999.9900 -.5244 -.3924 -1.1728 .4058 -.2520 -.3880 13 PHE 13 -.0017 -.9508 999.9900 999.9900 .5949 -.1192 -.9826 .3432 -.2093 -.1994 14 ILE 14 -.3251 -1.8577 999.9900 999.9900 .2216 -.6537 -.3340 .4158 .1034 -.3759 15 SER 15 .9506 999.9900 -.7153 999.9900 .5215 .2522 .3947 .6695 .5550 .3642 16 GLU 16 .8733 1.1195 999.9900 1.1588 .7127 .9661 .5415 .4586 .4932 .8107 17 LYS 17 -.4760 .0381 999.9900 -.4035 -.8987 -.4287 -.1888 .4594 .1893 -.2676 18 SER 18 -.5255 999.9900 -.7153 999.9900 -1.9795 -1.0734 -.1723 .2230 .0583 -.6339 19 SER 19 .7489 999.9900 .8786 999.9900 -.0193 .5361 .5798 .2449 .3845 .4866 20 LYS 20 -3.5196 -.0529 999.9900 .7677 -1.0384 -.6151 .4154 .4601 .4415 -.3143 21 SER 21 .0280 999.9900 -.7153 999.9900 -.3810 -.3561 .3843 .3282 .3516 -.0712 22 LEU 22 -.4065 .8847 999.9900 999.9900 -.4635 .0049 -.3390 .2235 -.0109 -.0202 23 GLU 23 -.6163 -.3402 999.9900 -1.0323 .3568 -.4080 -.1188 .5141 .2504 -.2061 24 ILE 24 .0718 -.0177 999.9900 999.9900 .4089 .1543 .4781 .5315 .5093 .2945 25 PRO 25 .3725 999.9900 999.9900 999.9900 .6931 .5328 .6343 .4334 .5171 .5333 26 LEU 26 .8786 -1.4036 999.9900 999.9900 .6708 .0486 .3303 .1900 .2484 .1332 27 GLY 27 .4759 999.9900 999.9900 999.9900 .3466 .4112 .5759 .6195 .6001 .5045 28 PHE 28 -.7647 .1483 999.9900 999.9900 .1482 -.1561 .4961 .5316 .5168 .1119 29 ASN 29 .9642 .2165 999.9900 999.9900 .9106 .6971 .5849 .5987 .5930 .6550 30 GLU 30 .0468 -.3559 999.9900 -1.0323 1.0761 -.0663 .3490 .4858 .4288 .0949 31 TYR 31 -.0710 .6919 999.9900 999.9900 -.5629 .0193 .1663 .2198 .1975 .0888 32 PHE 32 -1.4579 -3.0602 999.9900 999.9900 -2.2412 -2.2531 -.2531 -.9011 -.6311 -1.5827 33 PRO 33 .3725 999.9900 999.9900 999.9900 -.1935 .0895 -1.9829 .1450 -.7416 -.4147 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.3426 -.8929 .2579 .0641 .1448 -.3660 35 PRO 35 .4049 999.9900 999.9900 999.9900 -2.3298 -.9625 .3638 .3682 .3664 -.2982 36 PHE 36 -1.3242 .8308 999.9900 999.9900 .2172 -.0921 .6267 .6503 .6404 .2002 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 -.1935 -.6692 -.7459 .6267 .0548 -.3644 38 ILE 38 -2.9731 -.0177 999.9900 999.9900 -.7199 -1.2369 -.1898 .4500 .1834 -.6901 39 THR 39 .2564 999.9900 .2916 999.9900 .1092 .2191 -.6306 .6201 .0990 .1293 40 VAL 40 -.0582 999.9900 -.5532 999.9900 -2.2406 -.9507 -1.3104 .1768 -.4429 -.7971 41 ASP 41 -1.0681 -.4551 999.9900 999.9900 .1337 -.4631 .3592 .2956 .3221 -.1469 42 LEU 42 .1006 .8730 999.9900 999.9900 .3942 .4559 -.1165 .5132 .2508 .3529 43 LEU 43 .0762 -1.8410 999.9900 999.9900 .3648 -.4667 -.3551 .5712 .1852 -.2368 44 ASP 44 -.8144 -3.7306 999.9900 999.9900 .3772 -1.3893 .2347 .4564 .3640 -.6953 45 TYR 45 .3338 -.6802 999.9900 999.9900 .7393 .1310 .2001 .4795 .3631 .2145 46 SER 46 .4341 999.9900 -.7153 999.9900 .3425 .0204 .4118 .5692 .5036 .2084 47 GLY 47 -.7692 999.9900 999.9900 999.9900 .8016 .0162 .3189 .6912 .5257 .2606 48 ARG 48 -.5733 -2.8571 999.9900 .1593 .4837 -.5256 -.7409 .4252 -.0607 -.4206 49 SER 49 -.2734 999.9900 -.7153 999.9900 .8922 -.0322 .0866 .5355 .3484 .1051 50 TRP 50 -.1712 -.0877 999.9900 999.9900 .0811 -.0593 .0724 .5025 .3233 .0794 51 THR 51 -.5830 999.9900 .6346 999.9900 -1.3910 -.4465 -.4624 .4885 .0923 -.2627 52 VAL 52 -.8595 999.9900 -.5532 999.9900 -.5257 -.6461 -.0322 .4532 .2509 -.3035 53 ARG 53 -.4945 -.5225 999.9900 1.0776 -.0022 .2272 -.0131 .2524 .1418 .1965 54 MET 54 -.4857 .5321 999.9900 .9587 -1.9874 -.2456 -.0825 .6112 .3221 -.0756 55 LYS 55 -.4160 .4603 999.9900 .5368 -.8987 .0438 .1656 .3106 .2502 .0993 56 LYS 56 -.3414 -.2432 999.9900 .3240 -.6710 -.1215 -1.1490 -.4175 -.7223 -.3106 57 ARG 57 -1.2223 .8164 999.9900 .1593 .1299 .0085 -.0086 .6586 .3806 .0990 58 GLY 58 -1.1938 999.9900 999.9900 999.9900 -.0631 -.6284 -1.3346 .6713 -.2202 -.4801 59 GLU 59 -1.0162 -1.4588 999.9900 .3501 .0814 -.5109 .1636 .6125 .4255 -.2112 60 LYS 60 -.6439 1.2989 999.9900 .1140 -.3378 .1090 .4379 .6642 .5699 .2353 61 VAL 61 .0815 999.9900 .1416 999.9900 .6025 .2752 -.8121 .3358 -.1425 .0699 62 PHE 62 -.2058 .8396 999.9900 999.9900 -2.2412 -.5358 -.6642 .5957 .0707 -.3352 63 LEU 63 -.7094 -1.9980 999.9900 999.9900 -3.2047 -1.9707 -.9493 -.1113 -.4605 -1.3945 64 THR 64 -4.2065 999.9900 .6346 999.9900 -.2561 -1.2760 -.0537 .0771 .0226 -.7609 65 VAL 65 -1.1433 999.9900 .4980 999.9900 -2.9040 -1.1831 -.6070 .4447 .0065 -.7423 66 GLY 66 -2.1575 999.9900 999.9900 999.9900 -1.5458 -1.8516 -1.4067 .0836 -.5787 -1.2566 67 TRP 67 .4280 -.3018 999.9900 999.9900 .4467 .1910 .2071 .5261 .3932 .2612 68 GLU 68 .4426 -2.8418 999.9900 -1.0323 -1.5390 -1.2426 -.2265 -1.4540 -.9426 -1.1085 69 ASN 69 .9642 -.1227 999.9900 999.9900 .1585 .3333 -.2928 .3890 .1049 .2192 70 PHE 70 1.2230 -.6014 999.9900 999.9900 -.1944 .1424 .5150 .2977 .3882 .2480 71 VAL 71 1.0462 999.9900 -.5532 999.9900 -.3121 .0603 .4083 .5232 .4753 .2225 72 LYS 72 .6751 1.1488 999.9900 -.4035 -1.4057 -.0778 .6117 .5728 .5890 .1137 73 ASP 73 .9921 .4694 999.9900 999.9900 .0868 .5161 -.5860 .2443 -.1017 .2413 74 ASN 74 -.3337 -.8278 999.9900 999.9900 -.4633 -.5416 .4745 .3471 .4002 -.1606 75 ASN 75 -3.4329 .2165 999.9900 999.9900 .4840 -.9108 .2474 .1043 .1639 -.4761 76 LEU 76 -1.6816 .8730 999.9900 999.9900 .3346 -.1580 .4784 .6463 .5763 .1301 77 GLU 77 -1.3743 -.4402 999.9900 -1.0323 .4526 -.5985 .2500 .4625 .3740 -.2803 78 ASP 78 -.1445 -1.2961 999.9900 999.9900 -.3226 -.5877 -.0857 .3974 .1961 -.2903 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -1.0172 -1.4806 .1050 .3504 .2413 -.6265 80 LYS 80 -.7069 .5574 999.9900 .4996 -2.0338 -.2368 .2984 .1573 .2161 -.1040 81 TYR 81 .2568 .8258 999.9900 999.9900 .5127 .5318 -.2910 .5765 .2150 .3762 82 LEU 82 .1006 -2.1315 999.9900 999.9900 -1.0998 -1.0436 -1.1113 .3964 -.2318 -.7691 83 GLN 83 -.4918 .6816 999.9900 1.3059 .1963 .4230 -1.4516 .4594 -.3369 .1166 84 PHE 84 -.2457 .8396 999.9900 999.9900 -.3041 .0966 -.3584 .6374 .2225 .1138 85 ILE 85 -.3198 -.4893 999.9900 999.9900 .6034 -.0686 -.8291 .4343 -.0921 -.1201 86 TYR 86 .6005 -.7306 999.9900 999.9900 .2769 .0489 -.4329 .2486 -.0353 -.0075 87 ASP 87 -1.9993 -.8452 999.9900 999.9900 .5733 -.7571 .6519 .4159 .5142 -.2407 88 ARG 88 -1.6049 1.1699 999.9900 .6901 -.4506 .0989 .3145 -.4008 -.1027 .0583 89 ASP 89 -1.0188 -1.3328 999.9900 999.9900 .9215 -.4767 -3.0913 .2097 -1.1657 -.8623 90 ARG 90 -1.2223 -1.4154 999.9900 .1593 -.0761 -.4790 .0487 -.6163 -.3392 -.4233 91 THR 91 .1937 999.9900 .7650 999.9900 -1.0006 -.0140 .0995 -.0050 .0386 .0105 92 PHE 92 .0900 .1033 999.9900 999.9900 -.4285 -.0784 .0340 .6106 .3704 .0819 93 TYR 93 .0686 -.2907 999.9900 999.9900 -1.0119 -.4113 -1.6149 .2301 -.5387 -.5238 94 VAL 94 .2313 999.9900 -.2457 999.9900 -1.0415 -.3520 .1284 .3815 .2760 -.1092 95 ILE 95 .1597 .6227 999.9900 999.9900 -2.8566 -.6914 -.1216 .2703 .1070 -.3851 96 ILE 96 .4877 .2838 999.9900 999.9900 -2.1444 -.4576 .2383 .5770 .4359 -.1115 97 TYR 97 -.6832 .8258 999.9900 999.9900 -1.3683 -.4086 -.9406 .1911 -.2804 -.3951 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -.8367 -2.1615 .0358 .1911 .1221 -1.0240 99 HIS 99 -1.6168 -.1263 999.9900 999.9900 .6686 -.3582 .4492 .5173 .4889 -.0216 100 ASN 100 -3.4329 -1.0148 999.9900 999.9900 .3587 -1.3630 .6386 .5221 .5706 -.5857 101 MET 101 -2.2339 .5321 999.9900 .9587 -1.2625 -.5014 -.3807 .6175 .2016 -.2948 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .3625 .4078 .3884 .3000 Means: -.4952 -.3822 -.1183 .2397 -.3769 -.3258 -.1829 .3618 .1338 -.1660 2.00 refined_20