1 ASP 1 999.9900 -.5059 999.9900 999.9900 -2.9873 -1.7466 .2706 -.3870 -.0881 -.9024 2 PRO 2 -2.9776 999.9900 999.9900 999.9900 .2989 -1.3394 -1.3662 .4355 -.3152 -.9024 3 ASN 3 -1.1452 -.4258 999.9900 999.9900 .3127 -.4194 .3573 .0954 .2045 -.1611 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 -.1879 -1.8263 .5054 -.0414 .1864 -.7971 5 GLU 5 -3.2255 .7809 999.9900 -1.0323 -.6780 -1.0387 .1643 -.0484 .0402 -.6732 6 PHE 6 -.0244 .4845 999.9900 999.9900 .1482 .2027 -.5253 .5654 .1109 .1297 7 ASP 7 -1.1212 -1.1646 999.9900 999.9900 .5121 -.5912 .0990 -.6080 -.3134 -.4565 8 PRO 8 -.8358 999.9900 999.9900 999.9900 .5793 -.1282 .1910 .4445 .3389 .0948 9 ASP 9 -.0867 -.4551 999.9900 999.9900 .2628 -.0930 .4200 .5617 .5027 .1406 10 LEU 10 -.8349 -2.3037 999.9900 999.9900 -.6084 -1.2490 -.1280 -.1368 -.1331 -.8023 11 PRO 11 -.2296 999.9900 999.9900 999.9900 .6931 .2317 .4192 .3041 .3521 .2967 12 GLY 12 .8874 999.9900 999.9900 999.9900 .6890 .7882 .1514 .5239 .3584 .5630 13 GLY 13 1.0314 999.9900 999.9900 999.9900 -1.5458 -.2572 -.2427 .5598 .2031 -.0493 14 GLY 14 1.1448 999.9900 999.9900 999.9900 -.3452 .3998 -.0923 .4860 .2290 .2983 15 LEU 15 -1.1644 .8730 999.9900 999.9900 -.1723 -.1546 -.2727 .4899 .1722 -.0493 16 HIS 16 -1.9498 .3722 999.9900 999.9900 -.3908 -.6561 -.7858 .1323 -.2502 -.5244 17 ARG 17 -1.2588 -1.2607 999.9900 .1593 .4407 -.3520 -.9377 .3484 -.1874 -.3356 18 CYS 18 .0411 999.9900 .1296 999.9900 -.3261 -.0518 .1704 .4092 .3097 .0848 19 LEU 19 .8475 .8730 999.9900 999.9900 .7348 .8184 .3514 .6281 .5128 .6869 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .4617 .1760 .5592 .6053 .5861 .3791 21 CYS 21 -.8048 999.9900 1.5962 999.9900 -.0920 .2331 .4401 .4167 .4265 .3112 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.5679 -1.1465 .4614 .4454 .4521 -.3466 23 ARG 23 -.6502 -1.0788 999.9900 .1593 -.0022 -.2825 -2.2131 .3415 -.7229 -.4692 24 TYR 24 .0406 .1211 999.9900 999.9900 .4594 .2070 -2.1932 .2487 -.7688 -.2647 25 PHE 25 .1097 .5589 999.9900 999.9900 -.1944 .1581 -.4259 .5450 .1404 .1187 26 ILE 26 .4667 -.1544 999.9900 999.9900 .0546 .1223 .0182 .1447 .0920 .1059 27 ASP 27 -.5058 -.5059 999.9900 999.9900 .6310 -.1269 .1762 .5174 .3753 .0626 28 SER 28 1.0911 999.9900 .3727 999.9900 .7151 .7263 .4201 .4922 .4621 .6182 29 THR 29 .8703 999.9900 -.2947 999.9900 .1586 .2447 .5737 .6075 .5934 .3831 30 ASN 30 1.3908 -1.8756 999.9900 999.9900 .6279 .0477 .2718 .6516 .4933 .2133 31 LEU 31 .6296 -2.9612 999.9900 999.9900 .9730 -.4529 -.2010 .2652 .0710 -.2589 32 LYS 32 1.2214 .0208 999.9900 -.0770 .1791 .2535 .2991 .5650 .4542 .3045 33 THR 33 .8748 999.9900 .4804 999.9900 .5490 .6347 .2632 .4457 .3696 .5226 34 HIS 34 .9933 -.2881 999.9900 999.9900 .4328 .3793 .2341 .1882 .2073 .3121 35 PHE 35 -.4833 -.6612 999.9900 999.9900 -.7419 -.6288 .3628 -.1362 .0718 -.3319 36 ARG 36 -1.0952 1.0644 999.9900 .7862 -2.3710 -.1659 .3789 .3415 .3571 -.0156 37 SER 37 -1.1635 999.9900 -.7153 999.9900 -.1819 -.6869 -.1805 .2399 .0647 -.4003 38 LYS 38 .9480 .1550 999.9900 .3240 .5850 .4672 .6811 .6321 .6525 .5213 39 ASP 39 1.1285 -.2224 999.9900 999.9900 .5431 .4831 -.3048 .6236 .2368 .3536 40 HIS 40 1.3920 -.9211 999.9900 999.9900 -1.0138 -.1810 -3.8748 .2000 -1.4978 -.8435 41 LYS 41 .9480 1.1488 999.9900 .1731 -2.0338 .0818 -1.8048 .0968 -.6955 -.1855 42 LYS 42 1.2214 .8340 999.9900 -.4035 .2547 .3006 .5534 .6114 .5872 .3811 43 ARG 43 .6655 -.2334 999.9900 1.0005 -.4506 .3965 .0816 .5507 .3552 .3735 44 LEU 44 .6509 .3261 999.9900 999.9900 -.0758 .3004 -.1261 -.3459 -.2543 .0858 45 LYS 45 1.2214 -.2178 999.9900 1.0822 -.0430 .6250 .5306 .3087 .4012 .5663 46 GLN 46 -.0365 1.1815 999.9900 1.3059 .1188 .6424 .5748 .5492 .5598 .6156 47 LEU 47 .6509 -2.0611 999.9900 999.9900 .4504 -.3199 .0090 .2496 .1494 -.1402 48 SER 48 -.1368 999.9900 -.7153 999.9900 .7151 -.0457 .1116 .3159 .2308 .0581 49 VAL 49 -4.3409 999.9900 -.2457 999.9900 .6025 -1.3281 -5.5811 -.1882 -2.4353 -1.9507 50 GLU 50 -2.8104 1.1195 999.9900 -1.0323 -.1261 -.7123 -.1964 -.4736 -.3581 -.5866 51 PRO 51 -2.7614 999.9900 999.9900 999.9900 .4496 -1.1559 .1879 .0354 .0990 -.5221 52 TYR 52 -3.6999 -1.2283 999.9900 999.9900 -1.9776 -2.3019 .0455 -.0305 .0012 -1.3782 53 SER 53 -1.8983 999.9900 .3727 999.9900 .2374 -.4294 -.5011 .2418 -.0677 -.3095 54 GLN 54 -3.1236 .6267 999.9900 1.3059 -.2736 -.3662 .0912 -.2164 -.0882 -.2650 55 GLU 55 -3.2255 .8034 999.9900 1.1588 -1.0906 -.5885 -.1143 -.2505 -.1938 -.4531 56 GLU 56 .8733 .4305 999.9900 -1.0323 -1.0906 -.2048 .1244 .1794 .1565 -.0859 57 ALA 57 -2.0449 999.9900 999.9900 999.9900 .3365 -.8542 -.2293 .3490 .1080 -.3972 58 GLU 58 -3.2255 -.6022 999.9900 -1.0323 .3899 -1.1175 .5434 .5189 .5291 -.5680 59 ARG 59 -2.2658 -.0184 999.9900 .7862 -.4506 -.2325 -.0531 .5184 .2802 -.0996 60 ALA 60 -.9001 999.9900 999.9900 999.9900 .6390 -.1306 .4882 .4559 .4694 .1708 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .0520 -1.7063 .3244 -.0705 .0940 -.7897 62 GLY 62 -2.4582 999.9900 999.9900 999.9900 -.2990 -1.3786 -.1660 .5050 .2068 -.6046 63 MET 63 -.3815 -1.7864 999.9900 .9587 .5203 -.1722 -.1330 .5005 .2365 -.0536 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .0036 -1.7414 .0379 .5263 .3092 -.7296 65 SER 65 -2.5541 999.9900 .3727 999.9900 -.3810 -.8541 .0768 .6363 .4032 -.3699 66 TYR 66 -.1271 .5130 999.9900 999.9900 -.1498 .0787 -2.0920 .5285 -.5634 -.2655 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.5323 .0046 -.2255 -.5355 Means: -.7147 -.2108 .0249 .3064 -.0763 -.2431 -.1978 .2855 .0831 -.1313 2.00 refined_19