1 ASP 1 999.9900 -.3515 999.9900 999.9900 .6856 .1671 .5586 .4871 .5196 .3450 2 PRO 2 .4011 999.9900 999.9900 999.9900 .7281 .5646 .5996 .1514 .3381 .4700 3 ASN 3 -2.5793 -1.4522 999.9900 999.9900 -.3577 -1.4631 .5589 .2095 .3551 -.7242 4 ALA 4 -2.6726 999.9900 999.9900 999.9900 -1.1070 -1.8898 .5833 .5857 .5847 -.6527 5 GLU 5 -.5578 -.3402 999.9900 -1.0323 .7566 -.2934 -.8038 .3010 -.1593 -.2794 6 PHE 6 -1.2843 -.4925 999.9900 999.9900 -.0962 -.6243 -.0026 .3029 .1756 -.3145 7 ASP 7 -.4515 -1.1646 999.9900 999.9900 .4469 -.3897 .5959 .3216 .4359 -.0503 8 PRO 8 -1.8432 999.9900 999.9900 999.9900 .4021 -.7206 -.1731 .4271 .1770 -.2968 9 ASP 9 -.9091 -.2599 999.9900 999.9900 -.2530 -.4740 -.3521 .5558 .1775 -.2436 10 LEU 10 -.2022 -1.6462 999.9900 999.9900 .4227 -.4753 .3684 .5655 .4834 -.0984 11 PRO 11 .0321 999.9900 999.9900 999.9900 .4021 .2171 .5701 .5132 .5369 .3794 12 GLY 12 .8124 999.9900 999.9900 999.9900 .7039 .7582 .3489 .5919 .4839 .6143 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.7584 .0292 .2709 .5503 .4261 .2199 14 GLY 14 .8169 999.9900 999.9900 999.9900 -1.5458 -.3644 .5746 .5986 .5879 .1111 15 LEU 15 -.6830 .8730 999.9900 999.9900 .4774 .2225 .1834 .4036 .3118 .2509 16 HIS 16 -1.2838 .8438 999.9900 999.9900 .1122 -.1093 -.8314 .4419 -.0887 -.1435 17 ARG 17 -.1872 -.4122 999.9900 .7862 -2.3710 -.2796 -1.5555 -.3807 -.8702 -.4763 18 CYS 18 -.0920 999.9900 .1296 999.9900 -1.7809 -.5811 -.6047 -.3514 -.4569 -.5399 19 LEU 19 1.1349 .8710 999.9900 999.9900 .5293 .8451 .3095 .5749 .4643 .6839 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .9520 .4212 .6457 .6119 .6260 .5250 21 CYS 21 -.8048 999.9900 .8629 999.9900 -1.0535 -.3318 .4200 .3113 .3566 -.0528 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.0775 -.9014 .3310 .5690 .4698 -.2257 23 ARG 23 -.6502 1.0644 999.9900 .1593 -.1565 .1153 -1.0246 .4258 -.1786 -.0032 24 TYR 24 .0686 -.0856 999.9900 999.9900 .6556 .2129 -1.8407 .1660 -.6701 -.2072 25 PHE 25 .1161 .5589 999.9900 999.9900 .1482 .2744 .0984 .6397 .4142 .3123 26 ILE 26 .4667 -.1544 999.9900 999.9900 -.8571 -.1816 .4249 .5776 .5140 .0915 27 ASP 27 -.6293 -.5059 999.9900 999.9900 .9215 -.0713 .5651 .5559 .5597 .1814 28 SER 28 1.0911 999.9900 -.0289 999.9900 .9098 .6574 .5299 .5314 .5307 .6067 29 THR 29 1.2375 999.9900 -.8810 999.9900 .6112 .3225 .5496 .6287 .5957 .4292 30 ASN 30 1.0488 -.4258 999.9900 999.9900 .8607 .4946 -.1798 .6268 .2908 .3862 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .7348 -.5500 -.3267 .1007 -.0774 -.3752 32 LYS 32 .9480 -.0529 999.9900 -.0770 -.3378 .0807 .3914 .4479 .4243 .1775 33 THR 33 .8748 999.9900 -.8810 999.9900 -.3332 -.1131 .4356 .5327 .4922 .1258 34 HIS 34 .9933 -.1773 999.9900 999.9900 .5967 .4709 .1140 .2274 .1801 .3508 35 PHE 35 -.6709 -.0015 999.9900 999.9900 -.0075 -.2266 .2828 -.0943 .0628 -.0983 36 ARG 36 -.8609 1.1781 999.9900 .1593 -2.3710 -.3470 .4757 .5014 .4907 -.1083 37 SER 37 -1.9635 999.9900 .3727 999.9900 .0747 -.5053 .1246 .2968 .2250 -.2189 38 LYS 38 .7090 -1.8181 999.9900 .8634 -.4892 .0257 .0204 .1819 .1146 .0472 39 ASP 39 .9343 -1.6521 999.9900 999.9900 .8336 .0386 .2939 .6285 .4891 .2076 40 HIS 40 .6603 -1.3248 999.9900 999.9900 -.1902 -.2849 -1.0056 .4767 -.1409 -.2767 41 LYS 41 .6780 .6560 999.9900 -.0397 -2.6618 -.2815 -.8114 .0832 -.2896 -.3051 42 LYS 42 .9451 -.4196 999.9900 .8634 .7460 .5997 .1566 -.1484 -.0213 .4295 43 ARG 43 .6655 -.7463 999.9900 .1593 .6017 .1679 .4910 .5784 .5420 .2727 44 LEU 44 1.1349 .8730 999.9900 999.9900 .0933 .7004 .2673 .6153 .4703 .5967 45 LYS 45 1.2214 .8340 999.9900 .3546 .2547 .6039 .6061 .6148 .6112 .6058 46 GLN 46 .9013 1.1250 999.9900 2.7911 .1963 1.2534 .5337 .6804 .6192 1.0379 47 LEU 47 -.3532 .3099 999.9900 999.9900 .7348 .2305 .3446 .5279 .4516 .3128 48 SER 48 -3.7598 999.9900 -.7153 999.9900 .5740 -1.3004 -.1184 .2400 .0906 -.7559 49 VAL 49 .3041 999.9900 .5873 999.9900 .4426 .4447 .5914 .6702 .6374 .5191 50 GLU 50 -2.1524 -.4402 999.9900 -1.0323 -1.0906 -1.1789 .2361 .4422 .3563 -.6729 51 PRO 51 -.0828 999.9900 999.9900 999.9900 -1.3105 -.6967 .5985 .2475 .3938 -.1368 52 TYR 52 -3.6999 -.0856 999.9900 999.9900 -.7591 -1.5148 .2098 -.0199 .0758 -.8709 53 SER 53 -2.3021 999.9900 -.7153 999.9900 .3088 -.9029 -.6008 .2956 -.0779 -.6028 54 GLN 54 -.4076 .4476 999.9900 1.3059 -.2736 .2680 .4946 .5275 .5138 .3490 55 GLU 55 -2.2616 .7809 999.9900 -1.0323 .3899 -.5308 .2699 -.2553 -.0364 -.3514 56 GLU 56 -2.8104 .8034 999.9900 -1.0323 .6899 -.5874 .5359 .5341 .5349 -.2132 57 ALA 57 -2.0946 999.9900 999.9900 999.9900 .7881 -.6533 -.4009 .3065 .0118 -.3502 58 GLU 58 -3.2255 -1.4588 999.9900 -1.0323 -1.0906 -1.7018 -1.5360 -.7991 -1.1062 -1.5237 59 ARG 59 -.2612 -2.8571 999.9900 1.6274 .4407 .1154 .0406 .3002 .1920 .1311 60 ALA 60 -2.6726 999.9900 999.9900 999.9900 -.1129 -1.3927 .5126 .1584 .3060 -.5286 61 ALA 61 -2.2093 999.9900 999.9900 999.9900 .0520 -1.0787 -1.9479 .3361 -.6156 -.9423 62 GLY 62 -2.4582 999.9900 999.9900 999.9900 .8277 -.8153 .2932 .3232 .3099 -.2535 63 MET 63 -2.6662 -2.5481 999.9900 .9587 .3104 -.9863 -.4903 .2061 -.0840 -.7049 64 GLY 64 -2.6716 999.9900 999.9900 999.9900 .2782 -1.1967 -.6378 .4980 -.0068 -.6333 65 SER 65 -.7052 999.9900 -.7153 999.9900 .3088 -.3706 -.1315 .5733 .2796 -.1340 66 TYR 66 -.1271 .2884 999.9900 999.9900 .6556 .2723 .2507 .1253 .1776 .2386 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 .0858 .1582 .1272 -.2782 Means: -.5704 -.3108 -.2785 .3431 .0033 -.2041 .0330 .3499 .2171 -.0495 2.00 refined_2