1 MET 1 999.9900 -1.7864 999.9900 .9587 -1.9874 -.9384 -.1351 .5790 .2544 -.4743 2 ALA 2 -1.9174 999.9900 999.9900 999.9900 -1.3426 -1.6300 -.4042 .3668 .0455 -.8243 3 ASP 3 -.1930 -.3515 999.9900 999.9900 .5431 -.0004 -.1827 .5881 .2669 .0808 4 THR 4 -.5955 999.9900 -.8810 999.9900 -1.3910 -.9558 .4269 .4324 .4301 -.4016 5 GLY 5 -.2363 999.9900 999.9900 999.9900 .5069 .1353 -.7493 .5934 -.0034 .0286 6 GLU 6 -.9070 -.1645 999.9900 .3501 -.6780 -.3499 -.0354 .3108 .1666 -.1873 7 VAL 7 -.3909 999.9900 -.2457 999.9900 .7810 .0481 -.9971 .6384 -.0431 -.0429 8 GLN 8 -.4424 -1.6169 999.9900 3.6599 .2680 .4672 -.9721 .6338 -.0353 .2551 9 PHE 9 .1414 .1164 999.9900 999.9900 -.0075 .0835 -.0402 .5410 .2988 .1502 10 MET 10 -.6588 .8879 999.9900 2.2863 -.5376 .4944 .3184 .5086 .4293 .4675 11 LYS 11 -.7523 -.8858 999.9900 .3240 -2.0338 -.6048 .3885 .1180 .2307 -.3596 12 PRO 12 .4011 999.9900 999.9900 999.9900 .7281 .5646 -.4829 .4772 .0772 .2809 13 PHE 13 -.2457 -.0015 999.9900 999.9900 .4513 .0680 .3916 .2899 .3323 .1771 14 ILE 14 -.7728 .6227 999.9900 999.9900 -1.0155 -.3885 -.0438 .3260 .1719 -.1767 15 SER 15 .8349 999.9900 -.0289 999.9900 .0747 .2936 .3096 .5289 .4375 .3438 16 GLU 16 .8604 -2.8418 999.9900 .3501 .4526 -.2947 .2349 -.0958 .0420 -.1733 17 LYS 17 -1.1367 .7568 999.9900 -.4035 -1.0384 -.4451 .0353 .3254 .2045 -.2664 18 SER 18 .1178 999.9900 .3727 999.9900 -.8619 -.1238 .2776 .3160 .3000 .0444 19 SER 19 .8760 999.9900 1.0592 999.9900 .5740 .8364 .4590 .4537 .4559 .6844 20 LYS 20 -3.5196 .7020 999.9900 .5368 -1.2036 -.5895 .5702 .6144 .5960 -.2518 21 SER 21 .2241 999.9900 -.0289 999.9900 .5991 .2648 -.1890 .5765 .2575 .2364 22 LEU 22 -.4108 -2.3037 999.9900 999.9900 .6708 -.6812 -.2683 .4349 .1419 -.3754 23 GLU 23 -.4497 -1.6501 999.9900 -1.0323 .2101 -.7305 -.5866 .3145 -.0610 -.5324 24 ILE 24 .0718 .2838 999.9900 999.9900 -.1449 .0702 .1111 .2424 .1877 .1128 25 PRO 25 -.2296 999.9900 999.9900 999.9900 -.4005 -.3150 .5689 .5608 .5642 .1249 26 LEU 26 .8475 -1.0719 999.9900 999.9900 .7139 .1632 .2210 .2628 .2454 .1947 27 GLY 27 .9829 999.9900 999.9900 999.9900 .9364 .9597 .4740 .6841 .5907 .7693 28 PHE 28 .6090 .5902 999.9900 999.9900 .2815 .4935 .6154 .2388 .3957 .4670 29 ASN 29 .9310 .9489 999.9900 999.9900 .5588 .8129 .4651 .5277 .5016 .6863 30 GLU 30 .6833 -2.8418 999.9900 -1.0323 .0814 -.7774 .3101 .1860 .2377 -.4356 31 TYR 31 .3338 .4609 999.9900 999.9900 -.1498 .2150 .3633 .4704 .4258 .2957 32 PHE 32 -3.6149 -.1460 999.9900 999.9900 .2172 -1.1812 .2042 .0665 .1239 -.6546 33 PRO 33 -.2605 999.9900 999.9900 999.9900 .5793 .1594 -.9640 .3497 -.1977 -.0739 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -.3587 -.3762 .3532 .4814 .4280 .0206 35 PRO 35 .6201 999.9900 999.9900 999.9900 -.8366 -.1082 .1198 .5545 .3734 .1145 36 PHE 36 -.8715 -.3506 999.9900 999.9900 .0736 -.3828 -.2689 .2698 .0453 -.2295 37 PRO 37 -.2410 999.9900 999.9900 999.9900 .7944 .2767 .0409 .6357 .3879 .3075 38 ILE 38 -.1493 -.0177 999.9900 999.9900 .6034 .1455 .4203 .4516 .4385 .2617 39 THR 39 .3976 999.9900 -.8810 999.9900 .6112 .0426 .3970 .3637 .3776 .1777 40 VAL 40 -.0582 999.9900 .4980 999.9900 -1.1891 -.2498 .4037 -.5460 -.1503 -.1783 41 ASP 41 -.5526 -1.5469 999.9900 999.9900 .1337 -.6553 -.1739 .1328 .0050 -.4014 42 LEU 42 -.0536 -1.8410 999.9900 999.9900 -.3368 -.7438 -1.2136 .2940 -.3342 -.6302 43 LEU 43 -.3896 -1.8410 999.9900 999.9900 .9565 -.4247 -.4660 .5972 .1542 -.2286 44 ASP 44 -.8144 -.9083 999.9900 999.9900 -.3226 -.6818 -.1449 .5335 .2508 -.3313 45 TYR 45 .3338 .2884 999.9900 999.9900 .7784 .4669 .4103 .1037 .2315 .3829 46 SER 46 -1.5945 999.9900 .6576 999.9900 .6931 -.0813 .4204 .4834 .4571 .1320 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 -.0631 -1.7747 .5210 .3169 .4076 -.6779 48 ARG 48 -1.4842 -.2494 999.9900 .1593 -2.3710 -.7572 -.3991 .2565 -.0167 -.5612 49 SER 49 -.5771 999.9900 .3727 999.9900 .3088 .0348 -.7867 .2345 -.1910 -.0896 50 TRP 50 -.1712 -1.0414 999.9900 999.9900 -1.6678 -.9601 -.3005 .5625 .2029 -.5237 51 THR 51 -1.0713 999.9900 .6346 999.9900 -1.3910 -.6092 -.4192 .2835 -.0093 -.3927 52 VAL 52 -.8595 999.9900 .5873 999.9900 -.7002 -.3241 .3468 .2998 .3194 -.0651 53 ARG 53 -.3624 .4564 999.9900 .1593 -.0761 .0673 .0501 .1428 .1042 .0756 54 MET 54 -.3206 .5321 999.9900 .9587 -.3043 .2165 .2352 .4550 .3634 .2594 55 LYS 55 -.1919 -2.9005 999.9900 .8261 .5850 -.1710 -.0409 -.1852 -.1250 -.1545 56 LYS 56 -.3543 -.6131 999.9900 -.4035 -2.0338 -.7616 -2.9945 -.1011 -1.3067 -.9863 57 ARG 57 -1.7561 .8024 999.9900 1.9188 .5640 .6896 .2896 .5774 .4575 .6164 58 GLY 58 -1.4300 999.9900 999.9900 999.9900 .8277 -.3012 -1.1708 .6267 -.1722 -.2866 59 GLU 59 -1.0162 1.1195 999.9900 -1.0323 -.5746 -.3759 .1891 .6000 .4288 -.1191 60 LYS 60 -.4529 .7568 999.9900 .4411 .6805 .3733 .0344 -.1288 -.0608 .2532 61 VAL 61 .0764 999.9900 -.2457 999.9900 -.2503 -.1399 -.0731 .6556 .3520 .0326 62 PHE 62 .0900 .8160 999.9900 999.9900 -2.2412 -.4451 -.4827 .3678 .0134 -.2900 63 LEU 63 -1.0430 .8730 999.9900 999.9900 -3.2047 -1.1249 -1.1822 -.1193 -.5622 -.9352 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -1.6680 -2.2518 -.1597 -.2476 -.2110 -1.4326 65 VAL 65 -1.7159 999.9900 -1.0788 999.9900 -1.5772 -1.4573 -.1276 .0145 -.0447 -.8970 66 GLY 66 -2.0431 999.9900 999.9900 999.9900 -1.0172 -1.5302 -.0702 .1206 .0358 -.7525 67 TRP 67 .2222 -2.6463 999.9900 999.9900 -.1614 -.8618 .3581 .5451 .4671 -.3365 68 GLU 68 .1449 -.3402 999.9900 -1.0323 .7127 -.1287 .6095 .6276 .6201 .1204 69 ASN 69 1.1678 .3924 999.9900 999.9900 .9106 .8236 .1022 .4750 .3197 .6096 70 PHE 70 -.0803 -.1636 999.9900 999.9900 -.5721 -.2720 .2493 .6174 .4641 .0102 71 VAL 71 .5660 999.9900 .2799 999.9900 -.7002 .0486 .2759 .0635 .1520 .0970 72 LYS 72 .8536 .0632 999.9900 .7677 -.6710 .3562 .3488 .3993 .3783 .3613 73 ASP 73 .2706 -.4551 999.9900 999.9900 .7118 .1758 .1044 .4429 .3018 .2149 74 ASN 74 -.6931 -.0024 999.9900 999.9900 -.1777 -.2910 .5278 .4093 .4587 .0128 75 ASN 75 -3.4329 .3778 999.9900 999.9900 .5940 -.8204 .1401 -.0738 .0153 -.4790 76 LEU 76 -.4552 -3.3760 999.9900 999.9900 .6708 -1.0535 -1.0176 .2812 -.2600 -.7794 77 GLU 77 -1.2977 -.8169 999.9900 -1.0323 -1.0906 -1.0594 -.3551 -.0639 -.1852 -.7761 78 ASP 78 -.2149 -1.1646 999.9900 999.9900 -1.1781 -.8525 -.1318 .2022 .0630 -.4974 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 -1.7465 -1.8453 .2855 -.1401 .0491 -.8863 80 LYS 80 -.3286 .9683 999.9900 1.4207 -.8987 .5165 .1956 -.3734 -.1364 .3435 81 TYR 81 .1219 .8492 999.9900 999.9900 -.5629 .1360 -.1532 .5435 .2532 .1597 82 LEU 82 -.5127 -2.9612 999.9900 999.9900 .7348 -.9131 -.2224 .1861 .0159 -.5551 83 GLN 83 -.4544 .6816 999.9900 1.3059 .7898 .5807 .2374 .2188 .2265 .4632 84 PHE 84 -.0803 .8396 999.9900 999.9900 -.7419 .0058 -.1576 .4898 .2201 .0699 85 ILE 85 .1597 .2838 999.9900 999.9900 -1.0155 -.1907 -.0408 .5239 .2886 -.0178 86 TYR 86 .0686 .6919 999.9900 999.9900 -.2672 .1644 .0654 .5346 .3391 .2187 87 ASP 87 -.6293 -.2599 999.9900 999.9900 .1786 -.2369 .5375 .0214 .2365 -.0303 88 ARG 88 -2.9267 .1897 999.9900 .1593 .7064 -.3424 .6246 .5429 .5770 -.0778 89 ASP 89 -3.3417 -1.4116 999.9900 999.9900 .7118 -1.3472 .0483 -.5266 -.2871 -.9040 90 ARG 90 -1.4318 -2.8571 999.9900 .6901 -1.7309 -.9280 .0362 .4822 .2964 -.5888 91 THR 91 .1937 999.9900 1.0667 999.9900 -.1848 .3585 .4025 .5739 .5025 .4104 92 PHE 92 -.1586 .5510 999.9900 999.9900 -.3041 .0294 .3333 .3959 .3698 .1635 93 TYR 93 .0406 .8258 999.9900 999.9900 .2769 .3811 .3766 .4424 .4150 .3925 94 VAL 94 .5332 999.9900 -.5532 999.9900 -.1376 -.0525 .3390 .6249 .5058 .1613 95 ILE 95 .2593 .6227 999.9900 999.9900 .2717 .3846 .3510 .4499 .4087 .3909 96 ILE 96 .4877 .6227 999.9900 999.9900 -.5989 .1705 -.2253 .6754 .3001 .1923 97 TYR 97 -.3077 -.3906 999.9900 999.9900 -1.0119 -.5701 -.2929 -.0260 -.1372 -.4058 98 GLY 98 -.9889 999.9900 999.9900 999.9900 -.2133 -.6011 .4511 .2585 .3441 -.1232 99 HIS 99 -2.5191 .4588 999.9900 999.9900 -.1902 -.7502 .1934 -.3538 -.1258 -.4822 100 ASN 100 -.4928 -1.4522 999.9900 999.9900 .0387 -.6354 -.0624 .5577 .2993 -.2822 101 MET 101 -.3657 .8879 999.9900 .9587 .7725 .5634 .1958 .6253 .4464 .5124 102 CYS 102 999.9900 999.9900 .8629 999.9900 999.9900 .8629 .4782 .4544 .4646 .5985 Means: -.5253 -.3616 .0825 .4836 -.2397 -.2478 -.0048 .3286 .1891 -.0901 2.00 refined_16